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(-)-catechin gallate
-
IC50: 0.3 microM
(-)-epicatechin gallate
-
IC50: 0.2 microM
(-)-epigallocatechin gallate
-
IC 50: 0.2 microM
(-)-gallocatechin gallate
-
IC50: 0.5 microM
(1H-indol-5-yl)[4-[(4-methylphenyl)(phenyl)methyl]piperazin-1-yl]methanone
0.015 mM, 74% inhibition
(2E)-1-[4-(1H-pyrrol-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
-
-
(2E)-3-(1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-8-yl)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
(2E)-3-(4-methoxyphenyl)-1-[4-(1H-pyrrol-1-yl)phenyl]prop-2-en-1-one
-
-
(2E)-3-(4-methylphenyl)-1-[4-(1H-pyrrol-1-yl)phenyl]prop-2-en-1-one
-
-
(2E)-3-(6-aminopyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
-
(2E)-3-(6-aminopyridin-3-yl)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]prop-2-enamide
(2E)-3-(6-fluorocyclohexa-1,5-dien-1-yl)-1-[4-(1H-pyrrol-1-yl)phenyl]prop-2-en-1-one
-
-
(2E)-3-pyren-1-yl-1-[4-(1H-triaziren-1-yl)phenyl]prop-2-en-1-one
-
45% residual activity at 0.05 mM
(2E)-3-[(4Z)-4-ethylidenecyclohexa-1,5-dien-1-yl]-1-[4-(1H-pyrrol-1-yl)phenyl]prop-2-en-1-one
-
-
(2E)-3-[4-(benzyloxy)phenyl]-2-cyano-N-(6-methylpyridin-2-yl)prop-2-enamide
-
-
(2E)-3-[6-(acetylamino)pyridin-3-yl]-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]prop-2-enamide
-
(2E)-N-(1H-indol-3-ylmethyl)-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide
-
-
(2E)-N-(2-aminobenzyl)-3-(6-aminopyridin-3-yl)prop-2-enamide
-
(2E)-N-(3-methoxy-2-propoxybenzyl)-N-methyl-3-(1'-methyl-2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
(2E)-N-(3-methoxy-2-propoxybenzyl)-N-methyl-3-(2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
(2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3-(2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
(2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3-(2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
(2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3-(4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
(2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(1'-methyl-2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(3-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(4-oxo-1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-8-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(1'-methyl-2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
(2E)-N-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]-N-methyl-3-(1'-methyl-2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
(2E)-N-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]-N-methyl-3-(4-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
(2E,4E)-N-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]hexa-2,4-dienamide
-
(2E,4E)-N-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]hexa-2,4-dienamide
-
(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
-
-
(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
-
-
(3aR,4S,6aR)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4,5-diyldimethanol
-
-
(4-(9H-fluoren-9-yl) piperazin-1-yl)-(4-methylbenzyl)-methanone
0.015 mM, 99% inhibition
(4-(9H-fluoren-9-yl)piperazin-1-yl) (2,5-difluorophenyl)methanone
uncompetitive versus NADH, noncompetitive versus trans-2-dodecenoyl-CoA
(4-(9H-fluoren-9-yl)piperazin-1-yl) (2-fluorophenyl)methanone
uncompetitive versus NADH, noncompetitive versus trans-2-dodecenoyl-CoA
(4-(9H-fluoren-9-yl)piperazin-1-yl) (3-fluorophenyl)methanone
uncompetitive versus NADH, competitive versus trans-2-dodecenoyl-CoA
(4-(9H-Fluoren-9-yl)piperazin-1-yl) (3-tolyl)methanone
uncompetitive versus NADH, noncompetitive versus trans-2-dodecenoyl-CoA
(4-(9H-fluoren-9-yl)piperazin-1-yl) (4-chlorophenyl)methanone
uncompetitive versus NADH, noncompetitive versus trans-2-dodecenoyl-CoA
(4-(9H-fluoren-9-yl)piperazin-1-yl) (4-fluorophenyl)methanone
uncompetitive versus NADH, competitive versus trans-2-dodecenoyl-CoA
(4-(9H-fluoren-9-yl)piperazin-1-yl) (4-methoxyphenyl)methanone
uncompetitive versus NADH, noncompetitive versus trans-2-dodecenoyl-CoA
(4-(9H-fluoren-9-yl)piperazin-1-yl) (4-tolyl)methanone
uncompetitive versus NADH, competitive versus trans-2-dodecenoyl-CoA
(4-(9H-fluoren-9-yl)piperazin-1-yl) (phenyl)methanone
uncompetitive versus NADH, noncompetitive versus trans-2-dodecenoyl-CoA
(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-(1H-indole-5-carbonyl)-methanone
0.015 mM, 84% inhibition
(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-(4-methylbenzyl)-methanone
0.015 mM, 83% inhibition
(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-benzyl-methanone
0.015 mM, 81% inhibition
(4-methylphenyl)[4-[(4-methylphenyl)(phenyl)methyl]piperazin-1-yl]methanone
0.015 mM, 77% inhibition
(4S)-1-(2,4-dimethylphenyl)-4-(3-{4-[(propan-2-yl)oxy]phenyl}-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
-
-
(4S)-1-(3,4-dimethylphenyl)-4-(3-{4-[(propan-2-yl)oxy]phenyl}-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
-
-
(5Z)-3-(3-chlorophenyl)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-3-(3-chlorophenyl)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-3-(3-fluorophenyl)-5-(furan-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-3-(4-fluorophenyl)-5-[(3-hydroxyphenyl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-3-(4-methoxyphenyl)-5-(phenylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-3-(4-methoxyphenyl)-5-[[4-(1-methylethyl)phenyl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-3-[3-chloro-4-(2-methylprop-1-en-1-yl)phenyl]-5-[(5,6-dihydroxy-1,6-dihydropyridazin-3-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-3-[4-(diethylamino)phenyl]-5-[(4-methoxyphenyl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-(anthracen-9-ylmethylidene)-3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[(3-hydroxy-5-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[(3-hydroxyphenyl)methylidene]-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[(4-methoxynaphthalen-1-yl)methylidene]-3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[(5,6-dihydroxy-1,6-dihydropyridazin-3-yl)methylidene]-2-thioxo-3-(3,4,5-trimethylcyclohex-1-en-1-yl)-1,3-thiazolidin-4-one
-
-
(5Z)-5-[(5,6-dihydroxy-1,6-dihydropyridazin-3-yl)methylidene]-3-(7-ethenyl-2,3-dihydro-1H-inden-5-yl)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-methyl-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-methyl-2-thioxo-1,3-thiazolidin-4-one
-
-
(E)-1-benzyl-2-methyl-3-[2-(pyridin-3-yl)vinyl]-4-pyridone
-
IC50: higher than 0.100 mM
(E)-2-(2-ionicotinoylhydrazineylidene)-N-(3,4,5-trichlorophenyl)propanamide
-
(E)-2-(2-isonicotinoylhydrazineylidene)-N-[3-(trifluoromethoxy)phenyl]propanamide
-
(E)-2-(2-isonicotinoylhydrazineylidene)-N-[3-(trifluoromethyl)phenyl]propanamide
-
(E)-2-(2-isonicotinoylhydrazineylidene)-N-[4-(perfluorooctyl)phenyl]propanamide
-
(E)-2-(2-isonicotinoylhydrazineylidene)-N-[4-(trifluoromethoxy)phenyl]propanamide
-
(E)-2-(2-isonicotinoylhydrazineylidene)-N-[4-(trifluoromethyl)phenyl]propanamide
-
(E)-2-(2-isonicotinoylhydrazineylidene)-N-{4-[(trifluoromethyl)thio]phenyl}propanamide
-
(E)-2-(2-isonicotinoylhydrazineylidene)propanoic acid
-
(E)-N-(1,2-dimethyl-1-H-indol-3-ylmethyl)-N-methyl-3-(7-oxo-5,6,7,8-tetra hydro-1,8-naphthyridin-3-yl)acrylamide
-
(E)-N-(3,4-dichlorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
(E)-N-(3,4-difluorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
(E)-N-(3,5-dichlorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
(E)-N-(3-bromophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
(E)-N-(3-chlorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
(E)-N-(3-fluorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
(E)-N-(3-iodophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
(E)-N-(4-bromophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
(E)-N-(4-chlorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
(E)-N-(4-fluorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
(E)-N-(4-iodophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
(E)-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-N-(1,2,7-trimethyl-1H-indol-3-ylmethyl)acrylamide
-
0.00007 mM, 50% inhibition
(E)-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphtyridin-3-yl)-N-(1,2,7-trimethyl-1H-indol-3-ylmethyl)acrylamide
-
0.00002 mM, 50% inhibition
(E)-N-methyl-N-(1,2-dimethyl-1H-indol-3-ylmethyl)-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
(E)-N-methyl-N-(1-methyl-1H-indol-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
(E)-N-methyl-N-(1-methyl-1H-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
(E)-N-methyl-N-(2-methyl-1H-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
(E)-N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-isonicotinoylhydrazineylidene)propanamide
-
(E)-N-[4-(difluoromethoxy)phenyl]-2-(2-isonicotinoylhydrazineylidene)propanamide
-
(RS)-1-hydroxy-1-[3-(octadecyloxy)-phenyl]-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one
-
28% inhibition at 0.03 mM, IC50 for growth of Mycobacterium tuberculosis is 0.012 mM
(RS)-1-[3-(dodecylsulfanyl)phenyl]-1-hydroxy-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one
-
15% inhibition at 0.03 mM, IC50 for growth of Mycobacterium tuberculosis is 0.0065 mM
1,3-bis(2,6-dichlorobenzyl)-2-methyl-4-pyridone
1,3-dibenzyl-2-methyl-4-pyridone
1-(2,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazole
-
1-(2,4-dichlorophenyl)-3-(3-methylpyridin-2-yl)thiourea
47% inhibition at 0.05 mM
-
1-(2-(4-(1H-pyrrol-1-yl)phenoxy)acetyl)-1,2-diazepane-3,7-dione
18% inhibition at 0.05 mM
-
1-(2-(4-(1H-pyrrol-1-yl)phenoxy)acetyl)-1,2-dihydropyridazine-3,6-dione
less than 5% inhibition at 0.05 mM
-
1-(2-(4-(1H-pyrrol-1-yl)phenoxy)acetyl)-4-methyl-1,2-dihydropyridazine-3,6-dione
42% inhibition at 0.05 mM
-
1-(2-(4-(1H-pyrrol-1-yl)phenoxy)acetyl)-4-methylenetetrahydropyridazine-3,6-dione
50% inhibition at 0.05 mM
-
1-(2-(4-(1H-pyrrol-1-yl)phenoxy)acetyl)tetrahydropyridazine-3,6-dione
32% inhibition at 0.05 mM
-
1-(2-bromobenzyl)-3-(4-nitrophenyl)thiourea
78% inhibition at 0.05 mM
-
1-(2-bromobenzyl)-3-phenylthiourea
23% inhibition at 0.05 mM
-
1-(2-chlorobenzyl)-3-(4-nitrophenyl)thiourea
72% inhibition at 0.05 mM
-
1-(2-chlorobenzyl)-3-phenylthiourea
31% inhibition at 0.05 mM
-
1-(2-chlorobenzyl)-3-phenylurea
14% inhibition at 0.05 mM
-
1-(2-chlorobenzyl)-4-(naphthalen-1-ylmethoxy)pyridin-2(1H)-one
-
-
1-(2-chlorobenzyl)-4-(naphthalen-2-ylmethoxy)pyridin-2(1H)-one
-
-
1-(2-chlorobenzyl)-4-hexylpyridin-2(1H)-one
competitive
1-(2-chlorobenzyl)-4-[(4-methoxybenzyl)oxy]pyridin-2(1H)-one
-
1-(2-chlorobenzyl)-4-[3-(1H-imidazol-1-yl)propoxy]pyridin-2(1H)-one
-
-
1-(2-chlorobenzyl)-4-[3-(1H-indol-1-yl)propoxy]pyridin-2(1H)-one
-
-
1-(3,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazole
compound has significant antibacterial activity against both Gram-positive and Gram-negative bacterial pathogens
1-(3,5-bis(trifluoromethyl)phenyl)-3-(3-methylpyridin-2-yl)thiourea
22% inhibition at 0.05 mM
-
1-(3-amino-2-methylbenzyl)-4-(2-thiophen-2-ylethoxy)pyridin-2(1H)-one
1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1H)-one
competitive
1-(3-chloro-4-nitrophenyl)-1,3-dihydro-2H-benzimidazol-2-one
-
1-(3-chlorobenzyl)-3-(2,6-dichlorobenzyl)-2-methylpyridin-4(1H)-one
1-(3-chlorocyclohexyl)-4-[(2-fluorophenyl)carbonyl]piperazine
-
1-(3-chlorocyclohexyl)-4-[(3,4-dichlorophenyl)carbonyl]piperazine
-
1-(3-chlorocyclohexyl)-4-[(3,4-dimethylphenyl)carbonyl]piperazine
-
1-(3-chlorocyclohexyl)-4-[(3-chlorophenyl)carbonyl]piperazine
-
1-(3-chlorocyclohexyl)-4-[(3-methylphenyl)carbonyl]piperazine
-
1-(3-chlorocyclohexyl)-4-[(4-fluorophenyl)carbonyl]piperazine
-
1-(3-chlorocyclohexyl)-4-[(4-methylphenyl)carbonyl]piperazine
-
1-(3-methylpyridin-2-yl)-3-(2-(trifluoromethyl)phenyl)thiourea
32% inhibition at 0.05 mM
-
1-(3-methylpyridin-2-yl)-3-(4-tolyl)thiourea
23% inhibition at 0.05 mM
-
1-(3-methylpyridin-2-yl)-3-(naphthalen-2-yl)thiourea
38% inhibition at 0.05 mM
-
1-(3-methylpyridin-2-yl)-3-phenylthiourea
35% inhibition at 0.05 mM
1-(4-(1H-pyrrol-1-yl)benzoyl)-1,2-diazepane-3,7-dione
27% inhibition at 0.05 mM
-
1-(4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl)-1,2-diazepane-3,7-dione
13% inhibition at 0.05 mM
-
1-(4-amino-2-chlorobenzyl)-4-(benzyloxy)pyridin-2(1H)-one
-
-
1-(4-aminobenzyl)-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
1-(4-bromophenyl)-3-(3-methylpyridin-2-yl)thiourea
25% inhibition at 0.05 mM
-
1-(4-bromophenyl)-3-(dibenzo[b,d]furan-3-ylamino)propan-1-one
-
47% residual activity at 0.05 mM
1-(4-chlorobenzyl)-5,6-dimethyl-1H-benzimidazole
-
1-(4-fluorophenyl)-3-(3-methylpyridin-2-yl)thiourea
17% inhibition at 0.05 mM
-
1-(4-iodophenyl)-3-(3-methylpyridin-2-yl)thiourea
8% inhibition at 0.05 mM
-
1-(4-methoxyphenyl)-3-(3-methylpyridin-2-yl)thiourea
20% inhibition at 0.05 mM
-
1-(4-methyl-1,3-thiazol-2-yl)-1-(5-[[6-(morpholin-4-yl)pyridin-2-yl]amino]-1,3,4-thiadiazol-2-yl)ethan-1-ol
-
-
1-(4-methyl-1,3-thiazol-2-yl)-1-(5-[[6-(piperidin-1-yl)pyridin-2-yl]amino]-1,3,4-thiadiazol-2-yl)ethan-1-ol
-
-
1-(4-methyl-1,3-thiazol-2-yl)-1-(5-[[6-(trifluoromethyl)pyridin-2-yl]amino]-1,3,4-thiadiazol-2-yl)ethan-1-ol
-
-
1-(4-methyl-1,3-thiazol-2-yl)-1-[5-[(1-methyl-1H-1,2,3-triazol-4-yl)amino]-1,3,4-thiadiazol-2-yl]ethan-1-ol
-
-
1-(4-methyl-1,3-thiazol-2-yl)-1-[5-[(pyridin-2-yl)amino]-1,3,4-thiadiazol-2-yl]ethan-1-ol
-
-
1-(4-methyl-1,3-thiazol-2-yl)-1-[5-[(pyrimidin-2-yl)amino]-1,3,4-thiadiazol-2-yl]ethan-1-ol
-
-
1-(4-nitrobenzoyl)-1,3-dihydro-2H-benzimidazol-2-one
-
1-(4-nitrobenzyl)-1,3-dihydro-2H-benzimidazol-2-one
-
1-(5-[[5-bromo-6-(trifluoromethyl)pyridin-2-yl]amino]-1,3,4-thiadiazol-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
-
-
1-(9H-fluoren-9-yl)-4-(phenylcarbonyl)piperazine
-
1-(9H-fluoren-9-yl)-4-[(4-methylphenyl)carbonyl]piperazine
-
1-(cyclohexylmethyl)-3-(2,6-dichlorobenzyl)-2-methylpyridin-4(1H)-one
-
-
1-(cyclohexylmethyl)-4-(phenylcarbonyl)piperazine
-
1-([1,5-bis(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]methyl)-4-methylpiperazine
i.e. BM-212
-
1-benzyl-2-butyl-3-(2,6-dichlorobenzyl)-4-pyridone
1-benzyl-2-methyl-3-(2,4,6-trichlorobenzyl)-4-pyridone
1-benzyl-2-methyl-3-phenyl-4-pyridone
-
IC50: 0.0029 mM
1-benzyl-2-methyl-3-vinyl-4-pyridone
-
IC50: higher than 0.100 mM
1-benzyl-2-methyl-3-[2-(pyridin-3-yl)ethyl]-4-pyridone
-
IC50: higher than 0.100 mM
1-benzyl-3-(2,4-dichlorobenzyl)-2-methyl-4-pyridone
1-benzyl-3-(2,6-dichlorobenzyl)-2-ethyl-4-pyridone
1-benzyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
1-benzyl-3-(2,6-difluorobenzyl)-2-methyl-4-pyridone
1-benzyl-3-(2,6-dimethylbenzyl)-2-methyl-4-pyridone
1-benzyl-3-(2-chloro-6-fluorobenzyl)-2-methyl-4-pyridone
1-benzyl-3-(2-chlorobenzyl)-2-methyl-4-pyridone
1-benzyl-3-butyl-2-methyl-4-pyridone
1-benzyl-4-(benzyloxy)pyridin-2(1H)-one
-
-
1-benzyl-4-decylpyridin-2(1H)-one
-
1-benzyl-4-hydroxypyridin-2(1H)-one
-
less than 30% inhibition at 0.1 mM
1-benzyl-4-[3-(9H-carbazol-9-yl)propoxy]pyridin-2(1H)-one
-
less than 30% inhibition at 0.1 mM
1-bicyclo[2.2.1]hept-2-yl-N-biphenyl-3-yl-5-oxopyrrolidine-3-carboxamide
-
1-butyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
1-butyl-5-(2,4-dichlorophenoxy)-2-(phenoxymethyl)pyridin-4(1H)-one
-
-
1-butyl-5-(2,4-dimethylphenoxy)-2-(phenoxymethyl)pyridin-4(1H)-one
-
-
1-butyl-5-(4-chloro-2-methylphenoxy)-2-(phenoxymethyl)pyridin-4(1H)-one
-
-
1-cycloheptyl-N-(2'-hydroxy-1,1':3',1''-terphenyl-4'-yl)-5-oxopyrrolidine-3-carboxamide
-
1-cyclohexyl-4-(2,3-dihydro-1H-indol-1-ylcarbonyl)pyrrolidin-2-one
-
1-cyclohexyl-4-(phenylcarbonyl)piperazine
-
1-cyclohexyl-4-([4-[(4-fluorophenyl)(phenyl)methyl]piperazin-1-yl]carbonyl)pyrrolidin-2-one
-
1-cyclohexyl-4-([4-[(4-methylphenyl)(phenyl)methyl]piperazin-1-yl]carbonyl)pyrrolidin-2-one
-
1-cyclohexyl-4-[(3,4-dichlorophenyl)carbonyl]piperazine
-
1-cyclohexyl-4-[(4-methylphenyl)carbonyl]piperazine
-
1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
-
1-cyclohexyl-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
-
1-cyclohexyl-N-(2'-hydroxy-1,1':3',1''-terphenyl-5'-yl)-5-oxopyrrolidine-3-carboxamide
-
-
1-cyclohexyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
-
1-cyclohexyl-N-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
-
1-cyclohexyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
-
1-cyclohexyl-N-(2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
-
1-cyclohexyl-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
-
1-cyclohexyl-N-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
-
1-cyclohexyl-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
-
1-cyclohexyl-N-(3,5-diphenyl-4-hydroxyl)phenyl-5-oxopyrrolidine-3-carboxamide
best inhibitor of the sreening with an IC50: 62 nanoM
1-cyclohexyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
-
1-cyclohexyl-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
-
1-cyclohexyl-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
-
1-cyclohexyl-N-(9-ethyl-9H-carbazol-2-yl)-5-oxopyrrolidine-3-carboxamide
-
1-cyclohexyl-N-9H-fluoren-4-yl-5-oxopyrrolidine-3-carboxamide
-
1-cyclohexyl-N-[(2'-hydroxy-1,1':3',1''-terphenyl-5'-yl)methyl]-5-oxopyrrolidine-3-carboxamide
-
1-cyclohexyl-N-[3-(1-methylethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
-
1-cyclohexyl-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
-
1-cyclohexylmethyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
1-cyclooctyl-N-(2'-hydroxy-1,1':3',1''-terphenyl-4'-yl)-5-oxopyrrolidine-3-carboxamide
-
1-cyclopropyl-5-(2,3-dichlorophenoxy)-2-(phenoxymethyl)pyridin-4(1H)-one
-
-
1-cyclopropyl-5-(2,4-dichlorophenoxy)-2-(phenoxymethyl)pyridin-4(1H)-one
-
-
1-cyclopropyl-5-(2,4-dimethylphenoxy)-2-(phenoxymethyl)pyridin-4(1H)-one
-
-
1-cyclopropyl-5-(2,6-dichlorophenoxy)-2-(phenoxymethyl)pyridin-4(1H)-one
-
-
1-decyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
1-ethoxy-1-oxopropan-2-yl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
-
1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carbothioamide
-
1-[(2-chlorophenyl)methyl]-4-decylpyridin-2(1H)-one
-
1-[(2H-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole
-
1-[(3,4-dichlorophenyl)methyl]-5,6-dimethyl-1H-benzimidazole
-
1-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole
-
1-[(3,4-dimethylphenyl)carbonyl]-4-[3-(trifluoromethyl)cyclohexyl]piperazine
-
1-[(3-amino-2-methylphenyl)methyl]-4-decylpyridin-2(1H)-one
-
1-[(3-chlorophenyl)carbonyl]-4-(cyclohexylmethyl)piperidine
-
1-[(3-methylphenyl)carbonyl]-4-(4-nitrocyclohexyl)piperazine
-
1-[(4-methoxy-3-methylphenyl)methyl]-1,5,6,7-tetrahydroindeno[5,6-d]imidazole
-
1-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole
-
1-[(4-methylphenyl)carbonyl]-4-[3-(trifluoromethyl)cyclohexyl]piperazine
-
1-[(4-nitrophenyl)sulfonyl]-1,3-dihydro-2H-benzimidazol-2-one
-
1-[1-(3,4-dichlorophenyl)ethyl]-1,5,6,7-tetrahydroindeno[5,6-d]imidazole
-
1-[1-(3,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole
-
1-[1-(3,4-dichlorophenyl)ethyl]-5,6-dimethyl-1H-benzimidazole
-
1-[1-(3,4-dichlorophenyl)ethyl]-5,7-dihydro-1H-furo[3,4-f]benzimidazole
-
1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-1,5,6,7-tetrahydroindeno[5,6-d]imidazole
-
1-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]-2-phenylethane-1,2-dione
-
-
1-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]propane-1,2-dione
-
-
1-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]-2-phenylethan-1-one
-
-
1-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]propan-1-one
-
-
1-[4-(2-hydroxy-4-propylphenoxy)phenyl]ethanone
A0A348A0U3
-
1-[4-[4-(4-chloro-2-hydroxyphenoxy)phenyl]piperazin-1-yl]ethan-1-one
-
25% inhibition 0.001 mM
1-[5-(3-bromo-4-fluoroanilino)-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
-
-
1-[5-(4-chloro-2-hydroxyphenoxy)thiophen-2-yl]propan-1-one
-
75% inhibition 0.001 mM
1-[5-[(1-methyl-1H-pyrazol-3-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
-
-
1-[5-[(1-methyl-1H-pyrazol-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
-
-
1-[5-[(2-methoxypyridin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
-
-
1-[5-[(2-methylpyridin-3-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
-
-
1-[5-[(5-bromo-6-methylpyridin-2-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
-
-
1-[5-[(5-bromopyridin-2-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
-
-
1-[5-[(5-fluoropyridin-2-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
-
-
1-[5-[(5-methylpyridin-3-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
-
-
1-[5-[(6-bromopyridin-2-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
-
-
1-[5-[(6-cyclopropylpyridin-2-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
-
-
1-[5-[(6-fluoropyridin-2-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
-
-
1-[5-[(6-methoxypyridin-2-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
-
-
1-[5-[(6-methylpyridin-2-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
-
-
1-[5-[(6-methylpyridin-3-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
-
-
1-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-1-yl]ethanone
-
1-[bis(4-fluorophenyl)methyl]-4-(phenylcarbonyl)piperazine
-
1-[bis(4-fluorophenyl)methyl]-4-[(4-methylphenyl)carbonyl]piperazine
-
2,13-dioxapentacyclo[18.2.2.23,6.29,12.214,17]triaconta-1(22),3,5,9,11,14,16,20,23,25,27,29-dodecaene-4,11-diol
52% inhibition at 0.05 mM
-
2,13-dioxapentacyclo[18.2.2.23,6.29,12.214,17]triaconta-1(22),3,5,9,11,14,16,20,23,25,27,29-dodecaene-4,15-diol
93% inhibition at 0.05 mM
-
2,4,4'-trichloro-2'-hydroxydiphenyl ether
trivial name triclosan
2,4-dichloro-N-(2-[[2-oxo-2-(phenylamino)ethyl]sulfanyl]-1,3-benzothiazol-6-yl)benzamide
-
49% residual activity at 0.05 mM
2-(2'-amino-4'-chloro-phenoxy)-5-chloro-phenol
-
inhibits the parasite growth, uncompetitive inhibition kinetics with crotonoyl-CoA and competitive with NADH
2-(2,4-dichlorophenoxy)-5-(2-ethylbutyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol
2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol
2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol
2-(2,4-dichlorophenoxy)-5-(2H-tetrazol-5-yl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(3-methylbutyl)phenol
2-(2,4-dichlorophenoxy)-5-(3-phenylpropyl)phenol
2-(2,4-dichlorophenoxy)-5-(4-phenylbutyl)phenol
2-(2,4-dichlorophenoxy)-5-(hexylamino)phenol
-
73% inhibition at 1 mM
2-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(pyridin-3-ylmethyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-chlorophenol
triclosan, dissociation constant of the inhibitor from the enzyme-NAD+ product complex: 7.0 pM
2-(2,4-dichlorophenoxy)-5-ethylphenol
2-(2,4-dichlorophenoxy)-5-methylphenol
2-(2,4-dichlorophenoxy)-5-propylphenol
2-(2,4-dichlorophenoxy)-5-pyridin-3-ylphenol
-
-
2-(2,4-dichlorophenoxy)-5-[(1H-1,2,3-triazol-1-yl)methyl]phenol
-
97% inhibition at 1 mM
2-(2,4-dichlorophenoxy)-5-[(2-methylphenyl)methyl]phenol
2-(2,4-dichlorophenoxy)-5-[(3-methylphenyl)methyl]phenol
2-(2,4-dichlorophenoxy)-5-[(4-fluorophenyl)methyl]phenol
2-(2,4-dichlorophenoxy)-5-[(pyridin-2-yl)methyl]phenol
2-(2,4-dichlorophenoxy)-5-[(pyridin-3-yl)methyl]phenol
2-(2,4-dichlorophenoxy)-5-[5-(trimethylsilyl)-1,2-oxazol-3-yl]phenol
-
complete inhibition at 1 mM
2-(2,4-dinitrophenoxy)-5-propylphenol
2-(2-(4-(1H-pyrrol-1-yl)phenoxy)acetyl)-2,3-dihydrophthalazine-1,4-dione
63% inhibition at 0.05 mM
-
2-(2-(4-(1H-pyrrol-1-yl)phenoxy)acetyl)-5,6,7,8-tetrabromo-2,3-dihydrophthalazine-1,4-dione
11% inhibition at 0.05 mM
-
2-(2-(4-(1H-pyrrol-1-yl)phenoxy)acetyl)-5,6,7,8-tetrachloro-2,3-dihydrophthalazine-1,4-dione
12% inhibition at 0.05 mM
-
2-(2-(4-(1H-pyrrol-1-yl)phenoxy)acetyl)octahydrophthalazine-1,4-dione
less than 5% inhibition at 0.05 mM
-
2-(2-amino-4-chlorophenoxy)-5-chlorophenol
IC50 for Plasmodium falciparum in culture 0.0084 mM
2-(2-aminophenoxy)-5-chlorophenol
-
-
2-(2-aminophenoxy)-5-decylphenol
-
2-(2-chloro-4-fluorophenyl)-N-(4-((3,5-dimethyl-1H-pyrazol-1-yl)-methyl)phenyl)acetamide
-
2-(2-chloro-4-nitrophenoxy)-5-propylphenol
2-(2-chlorophenoxy)-5-decylphenol
-
2-(2-hydroxybenzyl)-phenol
-
uncompetitive inhibition
2-(2-hydroxyphenoxy)phenol
-
2-(2-hydroxyphenyl)-phenol
-
uncompetitive inhibition
2-(2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(5-nitrothiazol-2-yl)acetamide
-
2-(2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(6-nitrobenzo[d]thiazol-2-yl)acetamide
-
2-(2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(thiophen-2-ylmethyl)acetamide
-
2-(2-methyl-4-oxoquinazolin-3(4H)-yl)-N-phenylacetamide
-
2-(2-[(benzylamino)methyl]-4-chlorophenoxy)-5-chlorophenol
-
-
2-(3-chlorophenoxy)-5-propylphenol
-
2-(3-dimethylaminophenoxy)-5-propylphenol
A0A348A0U3
-
2-(3-hydroxy-5-methylphenoxy)-5-methoxy-3-methyl phenol
-
cyperin
2-(3-hydroxymethyl-phenoxy)-5-propylphenol
A0A348A0U3
-
2-(3-nitrophenoxy)-5-propylphenol
2-(4-(1H-pyrrol-1-yl)benzoyl)-5,6,7,8-tetrabromo-2,3-dihydrophthalazine-1,4-dione
72% inhibition at 0.05 mM
-
2-(4-(1H-pyrrol-1-yl)benzoyl)-5,6,7,8-tetrachloro-2,3-dihydrophthalazine-1,4-dione
64% inhibition at 0.05 mM
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(1-(4-bromophenyl)ethylidene)acetohydrazide
27% inhibition at 0.05 mM
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(1-(4-chlorophenyl)ethylidene)acetohydrazide
-
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(1-(4-hydroxyphenyl)ethylidene)acetohydrazide
-
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(1-(4-nitrophenyl)ethylidene)acetohydrazide
51% inhibition at 0.05 mM
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(1-phenylethylidene)acetohydrazide
34% inhibition at 0.05 mM
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(2,3-dichlorobenzylidene)acetohydrazide
-
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(2,4-dichlorobenzylidene)acetohydrazide
-
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(2,4-dimethoxybenzylidene)acetohydrazide
37% inhibition at 0.05 mM
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(2,6-dichlorobenzylidene)acetohydrazide
-
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(2-chlorobenzylidene)acetohydrazide
-
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(2-nitrobenzylidene)acetohydrazide
-
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(3,4-dichlorobenzylidene)acetohydrazide
-
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(3-bromobenzylidene)acetohydrazide
-
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(3-ethoxy-4-hydroxybenzylidene)acetohydrazide
-
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(3-hydroxybenzylidene)acetohydrazide
-
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(3-methoxybenzylidene)acetohydrazide
-
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(3-phenoxybenzylidene)acetohydrazide
15% inhibition at 0.05 mM
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(4-chlorobenzylidene)acetohydrazide
-
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(4-fluorobenzylidene)acetohydrazide
-
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(4-hydroxy-3-methoxybenzylideneacetohydrazide
-
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(4-hydroxybenzylidene)acetohydrazide
-
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(4-isopropylbenzylidene)acetohydrazide
-
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(4-methoxybenzylidene)acetohydrazide
21% inhibition at 0.05 mM
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-(4-methylbenzylidene)acetohydrazide
-
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N'-benzylideneacetohydrazide
-
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N-(1,3-dioxoisoindolin-2-yl)acetamide
25% inhibition at 0.05 mM
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N-(1,3-dioxooctahydro-2H-isoindol-2-yl)acetamide
-
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N-(2,5-dioxo-2,5-dihydro-1Hpyrrol-1-yl)acetamide
10% inhibition at 0.05 mM
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N-(2,5-dioxopyrrolidin-1-yl)acetamide
less than 5% inhibition at 0.05 mM
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N-(2,6-dioxopiperidin-1-yl)acetamide
20% inhibition at 0.05 mM
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N-(3-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetamide
10% inhibition at 0.05 mM
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N-(3-methylene-2,5-dioxopyrrolidin-1-yl)acetamide
21% inhibition at 0.05 mM
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)acetamide
-
-
2-(4-(1H-pyrrol-1-yl)phenoxy)-N-(4,5,6,7-tetrachloro-1,3-dioxoisoindolin-2-yl)acetamide
-
-
2-(4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl)-5,6,7,8-tetrabromo-2,3-dihydrophthalazine-1,4-dione
75% inhibition at 0.05 mM
-
2-(4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl)-5,6,7,8-tetrachloro-2,3-dihydrophthalazine-1,4-dione
76% inhibition at 0.05 mM
-
2-(4-amino-2-chlorophenoxy)-5-chlorophenol
-
-
2-(4-aminophenoxy)-5-chlorophenol
A0A348A0U3
-
2-(4-aminophenoxy)-5-decylphenol
-
2-(4-aminophenoxy)-5-propylphenol
2-(4-chlorophenoxy)-5-(1H-1,2,3-triazol-1-yl)phenol
-
-
2-(4-chlorophenoxy)-5-cyclohexylphenol
-
-
2-(4-chlorophenoxy)-5-hexylphenol
-
-
2-(4-chlorophenoxy)-5-[4-(1H-1,2,3-triazol-1-yl)butyl]phenol
-
-
2-(4-methanesulfinylphenoxy)-5-propylphenol
A0A348A0U3
-
2-(4-methanesulfonylphenoxy)-5-propylphenol
A0A348A0U3
-
2-(4-methylsulfanylphenoxy)-5-propylphenol
A0A348A0U3
-
2-(4-nitrophenoxy)-5-propylphenol
2-(4-oxoquinazolin-3(4H)-yl)-N-(thiophen-2-ylmethyl)acetamide
-
2-(4-oxoquinazolin-3(4H)-yl)-N-phenylacetamide
-
2-(4-[[(2,3-dihydro-1-benzofuran-6-ylmethyl)amino]methyl]-2-hydroxyphenoxy)-5-methylbenzonitrile
-
predicted inhibitor, based on in-silico screening
2-(5-chlorothiophen-2-yl)-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]quinoline-4-carboxamide
-
-
2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide
-
2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(5-nitrothiazol-2-yl)acetamide
-
2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(6-nitrobenzo[d]thiazol-2-yl)acetamide
-
2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(furan-2-ylmethyl)acetamide
-
2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(thiophen-2-ylmethyl)acetamide
-
2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-phenylacetamide
2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-[(furan-2-yl)methyl]acetamide
78.12% inhibition at 0.01 mM
-
2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide
-
2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-(5-nitrothiazol-2-yl)acetamide
-
2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-(6-nitrobenzo[d]thiazol-2-yl)acetamide
-
2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-(furan-2-ylmethyl)acetamide
-
2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-(thiophen-2-ylmethyl)acetamide
-
2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-phenylacetamide
2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
80.12% inhibition at 0.01 mM
-
2-(biphenyl-3-yloxy)-5-propylphenol
A0A348A0U3
-
2-(biphenyl-4-yloxy)-5-chlorophenol
2-(dimethylamino)ethyl 3-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate
-
-
2-(dimethylamino)ethyl 6-[(5Z)-4-oxo-5-(phenylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
-
-
2-(ethanesulfonyl)-6-[2-[(E)-(hydroxyimino)methyl]-4-(trifluoromethyl)phenoxy]-2,3,1-benzodiazaborinin-1(2H)-ol
-
2-(ethanesulfonyl)-7-[2-[(Z)-(hydroxyimino)methyl]-4-(trifluoromethyl)phenoxy]-2,3,1-benzodiazaborinin-1(2H)-ol
diazaborine, in vitro bactericidal activity against replicating bacteria active against several drug-resistant clinical isolates. AN12855 binds to and inhibits the substrate-binding site of InhA in a cofactor-independent manner. It shows good drug exposure after i.v. and oral delivery, with 53% oral bioavailability. Delivered orally, AN12855 exhibits dose-dependent efficacy in both an acute and chronic murine model of tuberculosis infection. AN12855 is a promising candidate for the development of new antitubercular agents
2-(o-tolyloxy)-5-hexylphenol
2-(toluene-4-sulfonyl)-2H-benzo[d][1,2,3]diazaborinin-1-ol
-
2-amino-N-(5-chloro-2-phenoxyphenyl)pyridine-3-carboxamide
-
2-decyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1H)-one
-
2-decyl-1-methyl-5-(4-nitrophenoxy)pyridin-4(1H)-one
competitive inhibition
2-methylsulfonyl-6-methylbenzodiazaborine
-
2-methylsulfonyl-benzodiazaborine
-
2-phenoxy-5-tetradecylphenol
-
2-[(2-fluorophenyl)methyl]-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
-
-
2-[(3-chlorophenyl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
-
-
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
-
25% residual activity at 0.05 mM
2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol
-
-
2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol
-
-
2-[2-(dimethylamino)-4-sulfanylphenoxy]-5-[[(2-phenylethyl)amino]methyl]phenol
-
predicted inhibitor, based on in-silico screening
2-[2-(dimethylamino)-4-sulfanylphenoxy]-5-{[(2-phenylethyl)amino]methyl}phenol
2-[2-[(benzylamino)methyl]phenoxy]-5-chlorophenol
-
-
2-[2-[4-(1H-pyrrol-1-yl)benzoyl]hydrazineylidene]-N-(4-fluorophenyl)propanamide
-
2-[3-(2-hydroxy-4-chlorophenoxy)phenoxy]-5-chlorophenol
A0A348A0U3
-
2-[3-(2-hydroxy-4-propylphenoxy)phenoxy]-5-propylphenol
A0A348A0U3
-
2-[3-(2-hydroxy-ethyl)phenoxy]-5-propylphenol
A0A348A0U3
-
2-[3-(2-hydroxyethyl)phenoxy]-5-propylphenol
-
2-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]-2-oxoacetamide
-
-
2-[4-(1-hydroxyethyl)phenoxy]-5-propylphenol
A0A348A0U3
-
2-[4-(2,4-dinitrophenyl)-1H-pyrazol-1-yl]-4-(trifluoromethyl)pyrimidine
-
-
2-[4-(2-hydroxy-4-chlorophenoxy)phenoxy]-5-chlorophenol
A0A348A0U3
-
2-[4-(2-hydroxy-4-propylphenoxy)phenoxy]-5-propylphenol
A0A348A0U3
-
2-[4-(benzylamino)-2-chlorophenoxy]-5-chlorophenol
-
-
2-[4-({[(2,3-dihydro-1-benzofuran-6-yl)methyl]amino}methyl)-2-hydroxyphenoxy]-5-methylbenzonitrile
2-[amino(hydroxy)methyl]-2,3,1-benzodiazaborinin-1(2H)-ol
-
2-[[4-amino-5-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylacetamide
-
3% residual activity at 0.05 mM
2-[[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-[4-bromo-2-(1-methylethyl)phenyl]acetamide
-
52% residual activity at 0.05 mM
2-[[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
-
20% residual activity at 0.05 mM
2-{4-[(4-benzyl-1H-1,2,3-triazol-1-yl)methyl]-2-chlorophenoxy}-5-chlorophenol
-
-
2-{4-[(4-butyl-1H-1,2,3-triazol-1-yl)methyl]-2-chlorophenoxy}-5-chlorophenol
-
-
2-{4-[(5-benzyl-1,2-oxazol-3-yl)methyl]-2-chlorophenoxy}-5-chlorophenol
-
-
2-{4-[(5-butyl-1,2-oxazol-3-yl)methyl]-2-chlorophenoxy}-5-chlorophenol
-
-
2-{4-[(benzylamino)methyl]-2-chlorophenoxy}-5-chlorophenol
-
-
3'-methyl-4-[2-(methylamino)-4-(3-methylbutyl)phenoxy][1,1'-biphenyl]-3-ol
3'-methyl-4-[2-(methylamino)-4-(propan-2-yl)phenoxy][1,1'-biphenyl]-3-ol
3'-methyl-4-{[3-(methylamino)[1,1'-biphenyl]-4-yl]oxy}[1,1'-biphenyl]-3-ol
3,7-dihydroxy-flavone
-
IC50: 10 microM
3-(2,4-dichlorophenoxy)-6-methoxypyridin-2(1H)-one
-
-
3-(2,6-dichlorobenzyl)-1,2-dimethyl-4-pyridone
3-(2,6-dichlorobenzyl)-1-(4-nitrobenzyl)-2-methyl-4-pyridone
3-(2,6-dichlorobenzyl)-1-(5-hydroxypentyl)-2-methyl-4-pyridone
3-(2,6-dichlorobenzyl)-1-furfuryl-2-methyl-4-pyridone
3-(2,6-dichlorobenzyl)-2-methyl-1-(2-methyl-2-[[3-(trifluoromethyl)benzyl]sulfanyl]propyl)pyridin-4(1H)-one
-
-
3-(2,6-dichlorobenzyl)-2-methyl-1-(thiophen-2-ylmethyl)pyridin-4(1H)-one
3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
3-(2-(4-methylbenzylidene)hydrazinyl)-N-(2-(trifluoromethyl)phenyl)-1,2,4-thiadiazol-5-amine
-
64% inhibition at 0.05 mM, 35% inhibition at 0.005 mM
-
3-(2-(4-methylbenzylidene)hydrazinyl)-N-(4-nitrophenyl)-1,2,4-thiadiazol-5-amine
-
8% inhibition at 0.05 mM
-
3-(2-(4-methylbenzylidene)hydrazinyl)-N-(p-tolyl)-1,2,4-thiadiazol-5-amine
-
21% inhibition at 0.05 mM
-
3-(2-(4-methylbenzylidene)hydrazinyl)-N-phenyl-1,2,4-thiadiazol-5-amine
-
34% inhibition at 0.05 mM
-
3-(2-benzylidenehydrazinyl)-N-(2,4-dichlorophenyl)-1,2,4-thiadiazol-5-amine
-
38% inhibition at 0.05 mM
-
3-(2-benzylidenehydrazinyl)-N-(2-(trifluoromethyl)phenyl)-1,2,4-thiadiazol-5-amine
-
50% inhibition at 0.05 mM
-
3-(2-benzylidenehydrazinyl)-N-(4-bromophenyl)-1,2,4-thiadiazol-5-amine
-
61% inhibition at 0.05 mM, 39% inhibition at 0.005 mM
-
3-(2-benzylidenehydrazinyl)-N-(4-fluorophenyl)-1,2,4-thiadiazol-5-amine
-
54% inhibition at 0.05 mM
-
3-(2-benzylidenehydrazinyl)-N-(4-iodophenyl)-1,2,4-thiadiazol-5-amine
-
-
-
3-(2-benzylidenehydrazinyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine
-
46% inhibition at 0.05 mM
-
3-(2-benzylidenehydrazinyl)-N-(4-nitrophenyl)-1,2,4-thiadiazol-5-amine
-
35% inhibition at 0.05 mM
-
3-(2-benzylidenehydrazinyl)-N-(p-tolyl)-1,2,4-thiadiazol-5-amine
-
75% inhibition at 0.05 mM, 48% inhibition at 0.005 mM
-
3-(2-benzylidenehydrazinyl)-N-phenyl-1,2,4-thiadiazol-5-amine
-
16% inhibition at 0.05 mM
-
3-(2-chlorophenoxy)-6-methoxypyridin-2(1H)-one
-
-
3-(2-hydroxy-4-propylphenoxy)benzoic acid
A0A348A0U3
-
3-(2-hydroxy-4-propylphenoxy)benzoic acid methylester
A0A348A0U3
-
3-(3-hydroxy-4-phenoxyphenyl)propane-1,2-diol
A0A348A0U3
-
3-(4-(4-chloro-2-hydroxyphenoxy)phenyl)-7-hydroxy-2H-chromen-2-one
-
3-(4-chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one
-
3-(4-chloro-2-hydroxyphenoxy)-5,7-dihydroxy-2H-chromen-2-one
-
3-(4-chloro-2-hydroxyphenoxy)-6-hydroxy-2H-chromen-2-one
-
3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one
-
3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy-4-methyl-2H-chromen-2-one
-
3-(4-methoxyphenyl)-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propanamide
-
-
3-benzyl-6-(benzyloxy)pyridin-2(1H)-one
-
-
3-bromo-N-(4-fluorobenzyl)-1-benzothiophene-2-carboxamide
-
competitive kinetics with cofactor NADH and uncompetitive kinetics with the substrate crotonyl-CoA
3-bromo-N-[4-(trifluoromethyl)benzyl]-1-benzothiophene-2-carboxamide
-
competitive kinetics with cofactor NADH and uncompetitive kinetics with the substrate crotonyl-CoA
3-chloro-4-(2,6-dihydroxy-4-propylphenoxy)benzoic acid
-
3-chloro-4-(2-hydroxy-4-propylphenoxy)benzamide
A0A348A0U3
-
3-chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile
3-chloro-4-(2-hydroxy-4-pyridin-2-ylphenoxy)benzonitrile
-
-
3-chloro-4-(2-hydroxy-4-pyridin-4-ylphenoxy)benzonitrile
-
-
3-chloro-4-(2-hydroxy-6-methoxy-4-propylphenoxy)benzonitrile
-
3-chloro-4-(4-chloro-2-hydroxyphenoxy)-N-hydroxybenzamide
-
-
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzaldehyde
-
-
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzamide
-
-
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzoic acid
-
-
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzonitrile
-
-
3-chloro-4-[(3-hydroxy-2'-methylbiphenyl-4-yl)oxy]benzonitrile
-
-
3-chloro-4-[2-hydroxy-4-(pyridin-4-ylmethyl)phenoxy]benzonitrile
-
-
3-chloro-4-[2-hydroxy-4-[(2-methylphenyl)methyl]phenoxy]benzonitrile
3-chloro-4-[2-hydroxy-4-[(pyridin-4-yl)methyl]phenoxy]benzonitrile
3-cyclohexylmethyl-1-benzyl-2-methyl-4-pyridone
3-formyl-2-phenoxy phenol
3-hydroxy-4-phenoxy benzoic acid
3-hydroxy-4-phenoxy benzyl alcohol
3-hydroxy-4-phenoxybenzaldehyde
IC50 for Plasmodium falciparum in culture 0.077 mM
3-[(2E)-2-benzylidenehydrazinyl]-N-(2,4-dichlorophenyl)-1,2,4-thiadiazol-5-amine
-
-
3-[(2E)-2-benzylidenehydrazinyl]-N-(4-bromophenyl)-1,2,4-thiadiazol-5-amine
-
-
3-[(2E)-2-benzylidenehydrazinyl]-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine
-
-
3-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-N-phenyl-1,2,4-thiadiazol-5-amine
-
-
3-[(4-methylcyclohexyl)sulfamoyl]-N-(4-methylphenyl)benzamide
-
49% residual activity at 0.05 mM
3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]-6H-benzo[c]chromen-6-one
-
9% residual activity at 0.05 mM
3-[2-(4-bromophenyl)-2-oxoethoxy]-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one
-
53% residual activity at 0.05 mM
3-[3-(2-hydroxy-4-propylphenoxy)phenyl]acrylic acid methylester
A0A348A0U3
-
3-[3-(2-hydroxy-4-propylphenoxy)phenyl]propionic acid
A0A348A0U3
-
3-[3-(2-hydroxy-4-propylphenoxy)phenyl]propionic acid methylester
A0A348A0U3
-
3-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]pyridine
A0A348A0U3
-
3-[5-[(Z)-[4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
-
-
4,4'-dichloro-2-hydroxydiphenyl ether
diclosan
4-(2',4'-dichlorophenoxy)-3-hydroxybenzaldehyde
4-(2',4'-dichlorophenoxy)-3-hydroxybenzoic acid
4-(2',4'-dichlorophenoxy)-3-hydroxybenzyl alcohol
4-(2',4'-dichlorophenoxy)-3-hydroxybenzylchloride
4-(2',4'-dinitrophenoxy)-3-hydroxybenzaldehyde
4-(2',4'-dinitrophenoxy)-3-hydroxybenzoic acid
4-(2,4-dichlorophenoxy)-2'-methylbiphenyl-3-ol
-
-
4-(2,4-dichlorophenoxy)-3'-methylbiphenyl-3-ol
-
-
4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde
IC50 for Plasmodium falciparum in culture 0.021 mM
4-(2,4-dichlorophenoxy)-3-hydroxybenzamide
-
-
4-(2,4-dichlorophenoxy)-3-hydroxybenzoic acid
-
-
4-(2,4-dichlorophenoxy)-3-hydroxybenzonitrile
4-(2,4-dichlorophenoxy)-4'-fluorobiphenyl-3-ol
-
-
4-(2,4-dichlorophenoxy)-4'-methylbiphenyl-3-ol
-
-
4-(2,4-dichlorophenoxy)-N-hexyl-3-hydroxybenzamide
-
-
4-(2,4-dichlorophenoxy)biphenyl-3-ol
-
-
4-(2,6-dihydroxy-4-propylphenoxy)benzamide
-
4-(2,6-dihydroxy-4-propylphenoxy)benzonitrile
-
4-(4-chloro-2-hydroxyphenoxy)-1-(4-methylphenylsulphonamido)benzene
A0A348A0U3
-
4-(4-chlorophenoxy)-3-hydroxybenzonitrile
-
-
4-(4-chlorophenoxy)[1,1'-biphenyl]-3-ol
-
-
4-(4-hydroxyphenoxy)benzene-1,3-diol
-
4-(4-hydroxyphenyl)-phenol
-
uncompetitive inhibition
4-(7-chloroquinolin-4-yl)-2-[(diethylamino)methyl]phenol
-
-
4-(benzyloxy)-1-(2-chloro-4-nitrobenzyl)pyridin-2(1H)-one
4-(benzyloxy)-1-(2-chlorobenzyl)pyridin-2(1H)-one
4-(cyclohexylmethyl)-1-[(2-fluorophenyl)carbonyl]piperidine
-
4-(cyclohexylmethyl)-1-[(3-methylphenyl)carbonyl]piperidine
-
4-(cyclohexylmethyl)-1-[(4-methylphenyl)carbonyl]piperidine
-
4-([4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl]carbonyl)-1-cyclohexylpyrrolidin-2-one
-
4-([4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]carbonyl)-1-cyclohexylpyrrolidin-2-one
-
4-([[1-(2-chlorobenzyl)-2-oxo-1,2-dihydropyridin-4-yl]oxy]methyl)benzonitrile
-
-
4-acetoxyanthecotulide
-
moderate inhibition
4-bromo-N-(4-chlorophenyl)-3-(phenylsulfamoyl)benzamide
-
46% residual activity at 0.05 mM
4-bromo-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
-
17% residual activity at 0.05 mM
4-bromo-N-[4-(trifluoromethyl)phenyl]benzamide
-
49% residual activity at 0.05 mM
4-chloro-1-(4-chloro-2-methoxyphenoxy)-2-nitrobenzene
-
-
4-decyl-1-[(2-methylphenyl)methyl]pyridin-2(1H)-one
-
4-decyl-1-[(4-nitrophenyl)methyl]pyridin-2(1H)-one
noncompetitive inhibition
4-hydroxy-1-(4-hydroxybenzyl)pyridin-2(1H)-one
-
less than 30% inhibition at 0.1 mM
4-hydroxy-1-(4-methoxybenzyl)pyridin-2(1H)-one
-
less than 30% inhibition at 0.1 mM
4-hydroxyanthecotulide
-
moderate inhibition
4-hydroxymercuribenzoate
-
-
4-phenoxybenzamide adenine dinucleotide
NAD analogue which mimics isoniazid-NAD adduct
4-phenoxybenzene-1,3-diol
4-[(3'-methoxy[1,1'-biphenyl]-3-yl)carbamoyl]-1-(3-methylbut-2-en-1-yl)piperidin-1-ium
-
-
4-[(3-ethyl[1,1'-biphenyl]-4-yl)oxy]-3'-methyl[1,1'-biphenyl]-3-ol
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol
-
-
4-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol
-
-
4-[(Z)-[3-(4-methoxyphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde
-
-
4-[2-(dimethylamino)-4-(3-methylbutyl)phenoxy]-3'-methyl[1,1'-biphenyl]-3-ol
4-[2-(dimethylamino)-4-(propan-2-yl)phenoxy]-3'-methyl[1,1'-biphenyl]-3-ol
4-[2-ethyl-4-(3-methylbutyl)phenoxy]-3'-methyl[1,1'-biphenyl]-3-ol
4-[2-ethyl-4-(propan-2-yl)phenoxy]-3'-methyl[1,1'-biphenyl]-3-ol
4-[2-[(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanyl]ethyl]benzoic acid
-
-
4-[3-(1H-benzotriazol-1-yl)propoxy]-1-(2-chlorobenzyl)pyridin-2(1H)-one
-
-
4-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]methylbenzamide
4-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]methylbenzoic acid
4-[3-(9H-carbazol-9-yl)propoxy]-1-(2-chlorobenzyl)pyridin-2(1H)-one
4-[3-(9H-carbazol-9-yl)propoxy]-1-(4-methoxybenzyl)pyridin-2(1H)-one
-
-
4-[4-({[2-(4-chlorophenyl)ethyl]amino}methyl)-2-hydroxyphenoxy]-3-(methylamino)anilinium
4-[4-[(benzylamino)methyl]-2-hydroxyphenoxy]-3-chlorobenzonitrile
-
predicted inhibitor, based on in-silico screening
4-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)phenyl]amino-4-oxobutanoic acid
-
-
4-[5-chloro-2-(4-chloro-2-methoxyphenoxy)phenyl]amino-4-oxobutanoic acid
-
-
4-[[1-hydroxy-2-(methanesulfonyl)-1,2-dihydro-2,3,1-benzodiazaborinin-7-yl]oxy]benzonitrile
-
4-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]-3-chlorobenzamide
-
-
4-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]-3-chlorobenzoic acid
-
-
4-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]-3-chlorobenzonitrile
-
-
4-{4-[(benzylamino)methyl]-2-hydroxyphenoxy}-3-chlorobenzonitrile
4-{[3-(dimethylamino)[1,1'-biphenyl]-4-yl]oxy}-3'-methyl[1,1'-biphenyl]-3-ol
4-{[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl}-3-chlorobenzamide
-
4-{[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl}-3-chlorobenzoic acid
-
4-{[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl}-3-chlorobenzonitrile
-
5,11-dimethyl-8H-[2,3,1]benzodiazaborinino[2',1':5,6][1,3,5,2,6]oxadiazadiborinino[2,3-a][2,3,1]benzodiazaborinin-8-one
-
5-((4-(1H-pyrrol-1-yl)phenoxy)methyl)-1,3,4-oxadiazole-2-thiol
57% inhibition at 0.05 mM
-
5-((4-(1H-pyrrol-1-yl)phenoxy)methyl)-4-amino-2,4-dihydro-3H-1,2,4-triazole-3-thione
-
-
5-(2,3-dichlorophenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4(1H)-one
-
-
5-(2,3-dichlorophenoxy)-2-(phenoxymethyl)-4H-pyran-4-one
-
-
5-(2,3-dichlorophenoxy)-2-(phenoxymethyl)pyridin-4(1H)-one
-
-
5-(2,3-dichlorophenoxy)-2-[(E)-2-(furan-3-yl)ethenyl]-4H-pyran-4-one
-
-
5-(2,3-dichlorophenoxy)-2-[(E)-2-(pyridin-3-yl)ethenyl]-4H-pyran-4-one
-
-
5-(2,3-dichlorophenoxy)-2-[(E)-2-phenylethenyl]-4H-pyran-4-one
-
-
5-(2,4-dichlorophenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4(1H)-one
-
-
5-(2,4-dichlorophenoxy)-2-(phenoxymethyl)-1-phenylpyridin-4(1H)-one
-
-
5-(2,4-dichlorophenoxy)-2-(phenoxymethyl)-4H-pyran-4-one
-
-
5-(2,4-dichlorophenoxy)-2-(phenoxymethyl)pyridin-4(1H)-one
-
-
5-(2,4-dichlorophenoxy)-2-[(E)-2-(furan-3-yl)ethenyl]-4H-pyran-4-one
-
-
5-(2,4-dichlorophenoxy)-2-[(E)-2-(pyridin-3-yl)ethenyl]-4H-pyran-4-one
-
-
5-(2,4-dichlorophenoxy)-2-[(E)-2-phenylethenyl]-4H-pyran-4-one
-
-
5-(2,4-dimethylphenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4(1H)-one
-
-
5-(2,4-dimethylphenoxy)-2-(phenoxymethyl)-1-phenylpyridin-4(1H)-one
-
-
5-(2,4-dimethylphenoxy)-2-(phenoxymethyl)-4H-pyran-4-one
-
-
5-(2,4-dimethylphenoxy)-2-(phenoxymethyl)pyridin-4(1H)-one
-
-
5-(2,4-dimethylphenoxy)-2-[(E)-2-(furan-3-yl)ethenyl]-4H-pyran-4-one
-
-
5-(2,4-dimethylphenoxy)-2-[(E)-2-(pyridin-3-yl)ethenyl]-4H-pyran-4-one
-
-
5-(2,4-dimethylphenoxy)-2-[(E)-2-phenylethenyl]-4H-pyran-4-one
-
-
5-(2,6-dichlorophenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4(1H)-one
-
-
5-(2,6-dichlorophenoxy)-2-(phenoxymethyl)-4H-pyran-4-one
-
-
5-(2,6-dichlorophenoxy)-2-(phenoxymethyl)pyridin-4(1H)-one
-
-
5-(2,6-dichlorophenoxy)-2-[(E)-2-(furan-3-yl)ethenyl]-4H-pyran-4-one
-
-
5-(2,6-dichlorophenoxy)-2-[(E)-2-(pyridin-3-yl)ethenyl]-4H-pyran-4-one
-
-
5-(2,6-dichlorophenoxy)-2-[(E)-2-phenylethenyl]-4H-pyran-4-one
-
-
5-(2-chloro-3-nitrophenoxy)-1-cyclopropyl-2-(phenoxymethyl)pyridin-4(1H)-one
-
-
5-(2-chloro-3-nitrophenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4(1H)-one
-
-
5-(2-chloro-3-nitrophenoxy)-2-(phenoxymethyl)pyridin-4(1H)-one
-
-
5-(2-chlorophenoxy)-2-methoxypyridine 1-oxide
-
less than 30% inhibition at 0.1 mM
5-(2-methyl-3-nitrophenoxy)-2-(phenoxymethyl)-4H-pyran-4-one
-
-
5-(4-amino-2-methylphenoxy)-2-decyl-1-methylpyridin-4(1H)-one
-
5-(4-aminophenoxy)-2-decyl-1-methylpyridin-4(1H)-one
-
5-(4-chloro-2-hydroxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide
-
90% inhibition 0.001 mM
5-(4-chloro-2-hydroxyphenoxy)-N-methylfuran-2-carboxamide
-
46% inhibition 0.001 mM
5-(4-chloro-2-hydroxyphenoxy)-N-[4-(prop-1-en-2-yl)piperazin-1-yl]furan-2-carboxamide
-
45% inhibition 0.001 mM
5-(4-chloro-2-hydroxyphenoxy)furan-2-carboxylic acid
-
79% inhibition 0.001 mM
5-(4-chloro-2-hydroxyphenoxy)thiophene-2-carboxylic acid
-
48% inhibition 0.001 mM
5-(4-chloro-2-methylphenoxy)-1-cyclopropyl-2-(phenoxymethyl)pyridin-4(1H)-one
-
-
5-(4-chloro-2-methylphenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4(1H)-one
-
-
5-(4-chloro-2-methylphenoxy)-2-(phenoxymethyl)-1-phenylpyridin-4(1H)-one
-
-
5-(4-chloro-2-methylphenoxy)-2-(phenoxymethyl)-4H-pyran-4-one
-
-
5-(4-chloro-2-methylphenoxy)-2-(phenoxymethyl)pyridin-4(1H)-one
-
-
5-(4-chloro-2-methylphenoxy)-2-[(1E)-3-methylbut-1-en-1-yl]-4H-pyran-4-one
-
-
5-(4-chloro-2-methylphenoxy)-2-[(1E)-pent-1-en-1-yl]-4H-pyran-4-one
-
-
5-(4-chloro-2-methylphenoxy)-2-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-4H-pyran-4-one
-
-
5-(4-chloro-2-methylphenoxy)-2-[(E)-2-(furan-2-yl)ethenyl]-4H-pyran-4-one
-
-
5-(4-chloro-2-methylphenoxy)-2-[(E)-2-(furan-3-yl)ethenyl]-4H-pyran-4-one
-
-
5-(4-chloro-2-methylphenoxy)-2-[(E)-2-(pyridin-3-yl)ethenyl]-4H-pyran-4-one
-
-
5-(4-chloro-2-methylphenoxy)-2-[(E)-2-(thiophen-2-yl)ethenyl]-4H-pyran-4-one
-
-
5-(4-chloro-2-methylphenoxy)-2-[(E)-2-(thiophen-3-yl)ethenyl]-4H-pyran-4-one
-
-
5-(4-chloro-2-methylphenoxy)-2-[(E)-2-phenylethenyl]-4H-pyran-4-one
-
-
5-(4-chlorophenoxy)-2-(methoxymethyl)-4H-pyran-4-one
-
-
5-(5-benzyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)phenol
-
-
5-(5-butyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)phenol
-
-
5-(anilinomethyl)-2-[(3-ethyl[1,1'-biphenyl]-4-yl)oxy]phenol
5-(anilinomethyl)-2-[2-(dimethylamino)-4-(3-methylbutyl)phenoxy]phenol
5-(anilinomethyl)-2-[2-(dimethylamino)-4-(propan-2-yl)phenoxy]phenol
5-(anilinomethyl)-2-[2-(methylamino)-4-(3-methylbutyl)phenoxy]phenol
5-(anilinomethyl)-2-[2-(methylamino)-4-(propan-2-yl)phenoxy]phenol
5-(anilinomethyl)-2-[2-ethyl-4-(3-methylbutyl)phenoxy]phenol
5-(anilinomethyl)-2-[2-ethyl-4-(propan-2-yl)phenoxy]phenol
5-(anilinomethyl)-2-{[3-(dimethylamino)[1,1'-biphenyl]-4-yl]oxy}phenol
5-(anilinomethyl)-2-{[3-(methylamino)[1,1'-biphenyl]-4-yl]oxy}phenol
5-(benzylamino)-2-(2,4-dichlorophenoxy)phenol
-
25% inhibition at 1 mM
5-(benzylaminomethyl)-2-phenoxyphenol
A0A348A0U3
-
5-(cyclohexylamino)-2-(2,4-dichlorophenoxy)phenol
-
12.5% inhibition at 1 mM
5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol
5-(cyclohexylmethyl)-2-[(3-ethyl[1,1'-biphenyl]-4-yl)oxy]phenol
5-(cyclohexylmethyl)-2-[2-(dimethylamino)-4-(3-methylbutyl)phenoxy]phenol
5-(cyclohexylmethyl)-2-[2-(dimethylamino)-4-(propan-2-yl)phenoxy]phenol
5-(cyclohexylmethyl)-2-[2-(methylamino)-4-(3-methylbutyl)phenoxy]phenol
5-(cyclohexylmethyl)-2-[2-(methylamino)-4-(propan-2-yl)phenoxy]phenol
5-(cyclohexylmethyl)-2-[2-ethyl-4-(3-methylbutyl)phenoxy]phenol
5-(cyclohexylmethyl)-2-[2-ethyl-4-(propan-2-yl)phenoxy]phenol
5-(cyclohexylmethyl)-2-{[3-(dimethylamino)[1,1'-biphenyl]-4-yl]oxy}phenol
5-(cyclohexylmethyl)-2-{[3-(methylamino)[1,1'-biphenyl]-4-yl]oxy}phenol
5-([4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]carbonyl)-1H-indole
-
5-([[2-(4-chlorophenyl)ethyl]amino]methyl)-2-[2-(dimethylamino)-4-ethylphenoxy]phenol
-
predicted inhibitor, based on in-silico screening
5-([[2-(4-chlorophenyl)ethyl]amino]methyl)-2-[2-ethyl-4-(sulfanylmethyl)phenoxy]phenol
-
predicted inhibitor, based on in-silico screening
5-({[(2,3-dihydro-1-benzofuran-6-yl)methyl]amino}methyl)-2-[2-methyl-4-(methylamino)phenoxy]phenol
5-({[2-(4-chlorophenyl)ethyl]amino}methyl)-2-[2-(dimethylamino)-4-ethylphenoxy]phenol
5-({[2-(4-chlorophenyl)ethyl]amino}methyl)-2-[2-ethyl-4-(sulfanylmethyl)phenoxy]phenol
5-benzyl-2-(2,4-dichlorophenoxy)phenol
-
-
5-benzyl-N-{[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl}-1,2-oxazole-3-carboxamide
-
-
5-butyl-2-(2,4-dichlorophenoxy)phenol
5-butyl-2-phenoxyphenol
-
5-chloro-2-(2,4-dichloro-phenoxy)phenol
-
trivial name triclosan, slow, tight-binding inhibitor
5-chloro-2-(2,4-dichlorophenoxy)-phenol
-
Triclosan
5-chloro-2-(2,4-dichlorophenoxy)phenol
5-chloro-2-(2,4-dichlorophenoxy)phenyl 2,2-dimethylpropanoate
-
5-chloro-2-(2,4-dichlorophenoxy)pyridine 1-oxide
-
-
5-chloro-2-(2-chloro-4-hydroxyphenoxy)phenol
-
-
5-chloro-2-(2-chloro-4-morpholin-4-ylphenoxy)phenol
-
-
5-chloro-2-(2-chloro-4-nitrophenoxy)phenol
5-chloro-2-(2-chloro-4-piperidin-1-ylphenoxy)phenol
-
-
5-chloro-2-(2-chloro-4-pyrrolidin-1-ylphenoxy)phenol
-
-
5-chloro-2-(2-nitrophenoxy)phenol
5-chloro-2-(2-[[(2-phenylethyl)amino]methyl]phenoxy)phenol
-
-
5-chloro-2-(2-[[(4-chlorobenzyl)amino]methyl]phenoxy)phenol
-
-
5-chloro-2-(4'-chloro-2'-nitro-phenoxy)-phenol
-
inhibits the parasite growth
5-chloro-2-(4-chloro-2-methoxyphenoxy)aniline
-
-
5-chloro-2-(4-chloro-2-[1-[(4-chlorobenzyl)(methyl)amino]-1-methylethyl]phenoxy)phenol
-
-
5-chloro-2-(4-chloro-2-[1-[(4-chlorobenzyl)amino]-1-methylethyl]phenoxy)phenol
-
-
5-chloro-2-(4-chloro-2-[[(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]methyl]phenoxy)phenol
-
-
5-chloro-2-(4-chloro-2-[[(4-chlorobenzyl)(methyl)amino]methyl]phenoxy)phenol
-
-
5-chloro-2-(4-hydroxyphenoxy)phenol
5-chloro-2-(4-nitrophenoxy)phenol
5-chloro-2-(pyrazin-2-yloxy)phenol
-
5-chloro-2-(pyridin-3-yloxy)phenol
-
5-chloro-2-phenoxyaniline
5-chloro-2-phenoxyphenylmethanol
A0A348A0U3
-
5-chloro-2-[(5-[[4-(prop-1-en-2-yl)piperazin-1-yl]methyl]thiophen-2-yl)oxy]phenol
-
73% inhibition 0.001 mM
5-chloro-2-[(naphthalen-2-yl)oxy]phenol
-
91% inhibition 0.001 mM
5-chloro-2-[(quinolin-6-yl)oxy]phenol
-
87% inhibition 0.001 mM
5-chloro-2-[2-chloro-4-(1H-tetrazol-5-yl)phenoxy]phenol
-
-
5-chloro-2-[2-chloro-4-(chloromethyl)phenoxy]phenol
-
-
5-chloro-2-[2-chloro-4-(dimethylamino)phenoxy]phenol
-
-
5-chloro-2-[2-chloro-4-(hydroxymethyl)phenoxy]phenol
-
-
5-chloro-2-[2-chloro-4-(methylamino)phenoxy]phenol
-
-
5-chloro-2-[2-chloro-4-(morpholin-4-ylcarbonyl)phenoxy]phenol
-
-
5-chloro-2-[2-chloro-4-(naphthalen-1-ylsulfonyl)phenoxy]phenol
-
-
5-chloro-2-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
-
95% inhibition 0.001 mM
5-chloro-2-[2-chloro-4-[(trifluoromethyl)sulfonyl]phenoxy]phenol
-
-
5-chloro-2-[2-[(naphthalen-1-ylamino)methyl]phenoxy]phenol
-
-
5-chloro-2-[2-[(naphthalen-2-ylamino)methyl]phenoxy]phenol
-
-
5-chloro-2-[4-(4-methylpiperazin-1-yl)phenoxy]phenol
-
81% inhibition 0.001 mM
5-chloro-2-[4-(morpholin-4-yl)phenoxy]phenol
-
74% inhibition 0.001 mM
5-chloro-2-[4-(piperidine-1-sulfonyl)phenoxy]phenol
-
78% inhibition 0.001 mM
5-chloro-2-[4-(pyrrolidine-1-sulfonyl)phenoxy]phenol
-
81% inhibition 0.001 mM
5-chloro-2-[4-chloro-2-(prop-1-en-2-ylamino)phenoxy]phenol
-
-
5-chloro-2-[4-chloro-2-[(4-phenylpiperazin-1-yl)methyl]phenoxy]phenol
-
-
5-chloro-2-[4-chloro-2-[(dimethylamino)methyl]phenoxy]phenol
-
-
5-chloro-2-[4-chloro-2-[(methylamino)methyl]phenoxy]phenol
-
-
5-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]phenoxy]phenol
-
32% inhibition 0.001 mM
5-chloro-2-{2-chloro-4-[(1H-1,2,3-triazol-1-yl)methyl]phenoxy}phenol
-
-
5-chloro-2-{2-chloro-4-[(hexylamino)methyl]phenoxy}phenol
-
38% inhibition at 1 mM
5-cyclohexyl-2-(2-hydrazinyl-4-propylphenoxy)phenol
5-cyclohexyl-2-[2-(methylamino)-4-propylphenoxy]phenol
-
predicted inhibitor, based on in-silico screening
5-decyl-2-(2-fluorophenoxy)phenol
-
5-decyl-2-(2-methylphenoxy)phenol
-
5-decyl-2-(2-nitrophenoxy)phenol
-
5-decyl-2-(4-nitrophenoxy)phenol
uncompetitive inhibition
5-decyl-2-phenoxyphenol
-
5-ethyl-2(2-hydroxyphenoxy)phenol
-
5-hydroxymethyl-2-phenoxyphenol
A0A348A0U3
-
5-methyl-2(2-hydroxyphenoxy)phenol
-
5-methyl-2-phenoxyphenol
-
slow binding inhibitor
5-methyl-N-[(1E)-(3-nitrophenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine
-
-
5-nitro-2-phenoxyphenol
A0A348A0U3
-
5-octyl-2-phenoxyphenol
-
5-propyl-2(2-hydroxyphenoxy)phenol
-
5-propyl-2-(3-trifluoromethylphenoxy)phenol
A0A348A0U3
-
5-propyl-2-[4-(2H-tetrazol-5-yl)phenoxy]benzene-1,3-diol
-
5-[(4-benzyl-1H-1,2,3-triazol-1-yl)methyl]-2-(2,4-dichlorophenoxy)phenol
-
-
5-[(4-butyl-1H-1,2,3-triazol-1-yl)methyl]-2-(2,4-dichlorophenoxy)phenol
-
98% inhibition at 1 mM
5-[(benzylamino)methyl]-2-[2-(dimethylamino)-4-ethylphenoxy]phenol
5-[2-[(E)-(hydroxyimino)methyl]phenoxy]-2,1-benzoxaborol-1(3H)-ol
-
5-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-phenoxybenzamide
25% inhibition at 0.7 mM
5-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]pentanoic acid
-
IC50: 0.110 mM
5-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)phenyl]amino-5-oxopentanoic acid
-
-
5-[5-chloro-2-(4-chloro-2-methoxyphenoxy)phenyl]amino-5-oxopentanoic acid
-
-
5-[[(2,3-dihydro-1-benzofuran-6-ylmethyl)amino]methyl]-2-[2-methyl-4-(methylamino)phenoxy]phenol
-
predicted inhibitor, based on in-silico screening
5-[[4-(2,4,7-trichloro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
5-[[4-(2,7-dibromo-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
5-[[4-(2,7-diiodo-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
5-[[4-(2-methoxy-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
5-[[4-(2-nitro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
5-[[4-(3-nitro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
5-[[4-(4-methoxy-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
5-[[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
6-(4-chloro-2-hydroxyphenoxy)-2H-chromen-2-one
-
6-(4-chloro-2-hydroxyphenoxy)-4-ethyl-2H-chromen-2-one
-
6-(4-chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one
-
6-(4-chloro-2-hydroxyphenoxy)naphthalen-2-ol
-
6-(benzyloxy)-3-phenoxypyridin-2(1H)-one
-
-
6-([5-[1-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]amino)pyridin-2-ol
-
-
6-butyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
6-cyclohexylmethyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
6-methyl-2(propane-1-sulfonyl)-2H-thieno[3,2-d][1,2,3]diazaborinin-1-ol
-
6-methyl-2-(propane-1-sulfonyl)-4a,7a-dihydro-2H-thieno[3,2-d][1,2,3]diazaborinin-1-ol
6-[(5Z)-5-([4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl]methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
-
-
6-[(5Z)-5-[(3-methoxy-4-propoxyphenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
-
-
6-[(5Z)-5-[[3-methoxy-4-(pentyloxy)phenyl]methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
-
-
6-[(5Z)-5-[[4-(1-methylethyl)phenyl]methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
-
-
6-[(5Z)-5-[[4-(benzyloxy)-3-methylphenyl]methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
-
-
6-[(5Z)-5-[[4-(hexyloxy)-3-methoxyphenyl]methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
-
-
6-[4-(trifluoromethyl)phenoxy]-2,1-benzoxaborol-1(3H)-ol
-
6-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)phenyl]amino-6-oxohexanoic acid
-
-
6-[5-chloro-2-(4-chloro-2-methoxyphenoxy)phenyl]amino-6-oxohexanoic acid
-
-
7-(4-chloro-2-hydroxyphenoxy)-2H-chromen-2-one
-
7-(4-chloro-2-hydroxyphenoxy)-4-ethyl-2H-chromen-2-one
-
7-(4-chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one
-
7-[2-[(Z)-(hydroxyimino)methyl]-4-(trifluoromethyl)phenoxy]-2-(methanesulfonyl)-2,3,1-benzodiazaborinin-1(2H)-ol
-
9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-N,N-dimethyl-9H-fluoren-2-amine
-
apigenin
-
IC50: 50 microM
aquastatin A
-
a natural inhibitor from the fungus Sporothrix sp. strain FN611, prevents the growth of Staphylococcus pneumoniae with minimum inhibitory concentration of 0.064-0.128 mg/ml, overview
betulinic acid
inhibitor identified by in silico screening, MIC value 0.1 mg/ml
cannabichromene
31% inhibition at 0.05 mM
-
cis-cannabigerol
78% inhibition at 0.05 mM
-
CoASH
-
competitive inhibitor with crotonyl CoA as substrate
Colchicine
inhibitor identified by in silico screening, MIC value 0.1 mg/ml
crotonoyl-CoA
the addition of short-chain crotonoyl-CoA actually inhibits the oxidation of NADH by recombinant ENR in a dose-dependent manner
curcumin
i.e. (E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione, an uncompetitive inhibition of FabI, shows antibacterial activity against Escherichia coli, sensitivity is decreased in FabI-overexpressing Escherichia coli
decanoyl-CoA
-
about 15% inhibition at 0.2 mM
degalactosylated aquastatin A
-
a natural inhibitor from the fungus Sporothrix sp. strain FN611
embelin
inhibitor identified by in silico screening, MIC value 0.1 mg/ml
ethionamide-NAD adduct
in its active form, ethionamide forms covalent adduct with NAD, which competitively inhibits the enzyme
-
ethyl 5-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]isoxazole-3-carboxylate
-
less than 30% inhibition at 0.1 mM
gallocatechin gallate
-
-
genistein
i.e. 4',5,7-trihydroxyisoflavone
Hexachlorophene
-
50% inhibition at 0.0025 mM
icariin
inhibitor identified by in silico screening, MIC value 0.1 mg/ml
imperatorin
i.e. 9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one
iridoid aglycone
-
IC50: 40.6 microg/ml, isolated form the extract of Scrophularia lepidota roots
isorhamnetin
-
IC50: 5 microM
kaempferol
-
IC50: 20 microM
lauroyl-CoA
-
about 50% inhibition at 0.2 mM
lead compound
-
MIC (microg/mL): 64
-
luteolin 7-O-beta-D-glucopyranoside
-
50% inhibition at 0.01mg/ml
methyl 2-[[(1-cyclohexyl-5-oxopyrrolidin-3-yl)carbonyl]amino]benzoate
-
methyl 2-[[(1H-benzimidazol-2-ylmethyl)carbamoyl]amino]-1,3-benzothiazole-6-carboxylate
AG205
methyl 4-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]methylbenzoate
methyl 6-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
-
-
methyl 6-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
-
-
methyl 6-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
-
-
myricetin
-
IC50: 0.4 microM
myristoyl-CoA
-
about 80% inhibition at 0.2 mM
N'-((1H-indol-3-yl)methylene)2-(4-(1H-pyrrol-1-yl)phenoxy)acetohydrazide
19% inhibition at 0.05 mM
-
N'-[(1E)-(5-bromo-2-hydroxyphenyl)methylidene]-4-(piperidin-1-ylsulfonyl)benzohydrazide
-
49% residual activity at 0.05 mM
N'-[(1Z)-(5-chloro-2-hydroxyphenyl)methylidene]-4-(piperidin-1-ylsulfonyl)benzohydrazide
-
24% residual activity at 0.05 mM
N'-[(Z)-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylidene]-2,8-dimethylquinoline-4-carbohydrazide
-
-
N,N-dibutyl-4-(2,4-dichlorophenoxy)-3-hydroxybenzamide
-
-
N-((4-bromo-1-ethyl-1H-pyrazol-5-yl)methyl)-4-((3,5-dimethyl-1Hpyrazol-1-yl)methyl)benzamide
-
N-(2,4-dichlorophenyl)-3-(2-(4-methylbenzylidene)hydrazinyl)-1,2,4-thiadiazol-5-amine
-
62% inhibition at 0.05 mM, 48% inhibition at 0.005 mM
-
N-(2,6-dichlorophenyl)-4-(2,5-dimethyl-1H-pyrrol-1-yl)benzamide
31% inhibition at 0.05 mM, 35% inhibition at 0.005 mM
-
N-(2-aminophenyl)-4-(2,5-dimethyl-1H-pyrrol-1-yl)benzamide
12% inhibition at 0.05 mM, 35% inhibition at 0.005 mM
-
N-(2-bromobenzyl)-4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamide
-
N-(2-chloro-4-fluorobenzyl)-4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzamide
-
N-(2-chloro-4-fluorobenzyl)-4-((4-methylthiazol-2-yl)methyl)-benzamide
-
N-(2-chloro-5-(2-phenylacetamido)benzyl)-4-((3,5-dimethyl-1Hpyrazol-1-yl)methyl)benzamide
-
N-(2-chloro-5-(3-phenylureido)benzyl)-4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzamide
-
N-(2-chloro-5-(trifluoromethyl)phenyl)-2-(2-methyl-4-oxoquinazolin-3(4H)-yl)acetamide
-
N-(2-chloro-5-(trifluoromethyl)phenyl)-2-(4-oxoquinazolin-3(4H)-yl)acetamide
-
N-(2-chloro-5-aminobenzyl)-4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzamide
-
N-(2-chlorobenzyl)-4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzamide
-
N-(2-nitrobenzyl)-4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzamide
-
N-(2-phenoxyphenyl)-2-[2-(pyridin-2-yl)-1,3-thiazol-4-yl]acetamide
-
-
N-(2-trifluorobenzyl)-4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-benzamide
-
N-(3-aminophenyl)-2-(4-nitrophenoxy)acetamide
-
N-(3-benzylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
N-(3-bromobenzyl)-4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzamide
-
N-(3-bromophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
-
N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
-
N-(3-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
N-(3-chloro-4-fluorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
N-(3-chlorobenzyl)-4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzamide
-
N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
N-(3-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
-
N-(3-methanesulfonybenzyl)-4-((3,5-dimethyl-1H-pyrazol-1-yl)-methyl)benzamide
-
N-(3-propan-2-yloxybenzyl)-4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzamide
-
N-(4-acetylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
N-(4-aminophenyl)-4-(2,5-dimethyl-1H-pyrrol-1-yl)benzamide
30% inhibition at 0.05 mM, 35% inhibition at 0.005 mM
-
N-(4-bromo-3-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
N-(4-bromo-3-methylphenyl)-2-[2-(thiophen-3-yl)-1,3-thiazol-4-yl]acetamide
-
-
N-(4-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
N-(4-bromophenyl)-2-chloro-5-[(4-methylphenyl)sulfamoyl]benzamide
-
41% residual activity at 0.05 mM
N-(4-bromophenyl)-3-(2-(4-methylbenzylidene)hydrazinyl)-1,2,4-thiadiazol-5-amine
-
46% inhibition at 0.05 mM
-
N-(4-bromophenyl)-3-{(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl}-1,2,4-thiadiazol-5-amine
-
-
N-(4-chloro-2-hydroxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
-
27% inhibition 0.001 mM
N-(4-chlorobenzyl)-2-[(4-chlorobenzyl)sulfanyl]quinazolin-4-amine
-
-
N-(4-chlorobenzyl)-N-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzyl]acetamide
-
-
N-(4-fluoro-2-(trifluoromethyl)benzyl)-4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzamide
-
N-(4-fluorobenzyl)-4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzamide
-
N-(4-fluorophenyl)-3-(2-(4-methylbenzylidene)hydrazinyl)-1,2,4-thiadiazol-5-amine
-
67% inhibition at 0.05 mM, 26% inhibition at 0.005 mM
-
N-(4-iodophenyl)-3-(2-(4-methylbenzylidene)hydrazinyl)-1,2,4-thiadiazol-5-amine
-
34% inhibition at 0.05 mM
-
N-(4-methoxyphenyl)-2-(4-nitrophenoxy)acetamide
-
N-(4-methoxyphenyl)-3-(2-(4-methylbenzylidene)hydrazinyl)-1,2,4-thiadiazol-5-amine
-
50% inhibition at 0.05 mM
-
N-(4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl)thiophene-2-carboxamide
-
-
N-(4-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]-3-chlorophenyl)acetamide
-
-
N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
N-(5-chloro-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide
-
-
N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
N-(5-chloro-2-phenoxyphenyl)-2,2-dimethylpropanamide
-
N-(5-nitrothiazol-2-yl)-2-(4-oxoquinazolin-3(4H)-yl)acetamide
-
N-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3(4H)-yl)acetamide
72.18% inhibition at 0.01 mM
-
N-(6-nitrobenzo[d]thiazol-2-yl)-2-(4-oxoquinazolin-3(4H)-yl)acetamide
-
N-(anthracen-9-ylmethyl)-1-bicyclo[2.2.1]hept-2-yl-N-methyl-5-oxopyrrolidine-3-carboxamide
-
N-(anthracen-9-ylmethyl)-1-cycloheptyl-N-methyl-5-oxopyrrolidine-3-carboxamide
-
N-(anthracen-9-ylmethyl)-1-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide
-
N-(anthracen-9-ylmethyl)-1-cyclooctyl-N-methyl-5-oxopyrrolidine-3-carboxamide
-
N-(benzo[d]thiazol-2-yl)-2-(2-methyl-4-oxoquinazolin-3(4H)-yl)acetamide
-
N-(benzo[d]thiazol-2-yl)-2-(4-oxoquinazolin-3(4H)-yl)acetamide
-
N-(benzo[d]thiazol-2-yl)-2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetamide
-
N-(benzyl)-4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzamide
-
N-(furan-2-yl-methyl)-2-(4-oxoquinazolin-3(4H)-yl)acetamide
-
N-(furan-2-ylmethyl)-2-(2-methyl-4-oxoquinazolin-3(4H)-yl)acetamide
-
N-benzyl-4-(2,4-dichlorophenoxy)-3-hydroxybenzamide
-
-
N-benzyl-4-(2,5-dimethyl-1H-pyrrol-1-yl)benzamide
12% inhibition at 0.05 mM, 35% inhibition at 0.005 mM
-
N-biphenyl-3-yl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
N-phenyl-N'-[5-(4-propoxyphenyl)-1,3,4-thiadiazol-2-yl]urea
-
-
N-[(1E)-(2-chlorophenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine
-
-
N-[(1E)-(2-chlorophenyl)methylidene]-5-methyl-4-phenyl-1,3-thiazol-2-amine
-
-
N-[(1E)-(3,4-dimethoxyphenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine
-
-
N-[(1E)-(3,4-dimethoxyphenyl)methylidene]-5-methyl-4-phenyl-1,3-thiazol-2-amine
-
-
N-[(1E)-(3-nitrophenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine
-
-
N-[(2-chloro-4-fluorophenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
-
N-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-methyl-1H-pyrazol-1-yl)methyl]benzamide
-
N-[(2-chloro-4-fluorophenyl)methyl]-4-[(6-methylpyridin-2-yl)-oxy]benzamide
-
N-[(2-chloro-4-fluorophenyl)methyl]-4-[(6-methylpyridin-2-yl)methyl]benzamide
-
N-[(2-chloro-4-fluorophenyl)methyl]-4-[(6-methylpyridin-2-yl)sulfanyl]benzamide
-
N-[(2-chloro-4-fluorophenyl)methyl]-4-[(dimethyl-1,3-thiazol-2-yl)methyl]benzamide
-
N-[(2-chloro-4-fluorophenyl)methyl]-4-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]benzamide
-
N-[(4-fluorophenyl)methyl]-4-[[2-methyl-5-(2,2,2-trifluoroethyl)furan-3-yl]methyl]benzamide
-
N-[2-(4-anilinoanilino)-2-oxoethyl]-2H-1,3-benzodioxole-5-carboxamide
-
-
N-[2-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide
-
N-[2-methyl-5-phenyl-3-([4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl)-1H-pyrrol-1-yl]pyridine-4-carboxamide
i.e. LL3858
-
N-[3,5-bis(trifluoromethyl)phenyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
N-[3-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(1H-pyrrol-1-yl)benzamide
25% inhibition at 0.05 mM, 35% inhibition at 0.005 mM
-
N-[4-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2,5-dimethyl-1Hpyrrol-1-yl)benzamide
38% inhibition at 0.05 mM, 35% inhibition at 0.005 mM
-
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2,5-dimethyl-1H-pyrrol-1-yl)benzamide
38% inhibition at 0.05 mM, 35% inhibition at 0.005 mM
-
N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-(1H-pyrrol-1-yl)benzamide
30% inhibition at 0.05 mM, 35% inhibition at 0.005 mM
-
N-[4-(benzyloxy)phenyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
N-[5-(4-chloro-2-hydroxyphenoxy)pyridin-2-yl]acetamide
-
N-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzyl]benzamide
-
-
N-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzyl]benzenesulfonamide
-
-
N-[5-chloro-2-(4-chloro-2-methoxyphenoxy)phenyl]acetamide
-
-
N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]benzamide
-
N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]butanamide
-
N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]formamide
-
N-{[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl}-2-(3-methyl-1,2-oxazol-5-yl)acetamide
-
-
N-{[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl}-5-methyl-1,2-oxazole-3-carboxamide
-
-
N-{[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]methyl}-5-methyl-1,2-oxazole-3-carboxamide
-
more than 80% inhibition at 1 mM
N1-phenylbenzene-1,2,4-triamine
-
Na3[Fe(CN)5(isonicotinic acid hydrazide)]4H2O
-
time dependent inactivation, rate constant value 327/min
NB2001
-
Triclosan prodrug form
pentacyano (isoniazid)ferrate-II
-
[FeII(CN)5(INH)]3+, slow onset inhibitor
pentacyano(isoniazid)ferrate(II)
pentacyano(isoniazid)ferrateII complex
-
Na3[FeII(CN)5(INH)]*3H2O complex
-
polydatin
i.e. 3,4',5-trihydroxystilbene-3-beta-D-glucopyranoside
pyrrolidine carboxamide
IC50: 10.05 microM, chosen as a lead structure for further structure optimization
quercetin
-
IC50: 1.5 microM
sodium (4-[2-[([[5-(pyridin-2-ylsulfanyl)-1,3-thiazol-2-yl]carbamoyl]amino)methyl]-1H-imidazol-4-yl]phenoxy)acetate
competitive inhibitor with respect to NADH and uncompetitive inhibitor with respect to crotonyl-CoA
stearoyl-CoA
-
about 40% inhibition at 0.2 mM
tert-butyl 4-[5-(4-chloro-2-hydroxyphenoxy)thiophene-2-carbonyl]piperazine-1-carboxylate
-
76% inhibition 0.001 mM
Trp-Tyr-Trp
structure-based computer modelling approach to design a tripeptide inhibitor. Docking studies indicate that the designed peptide has potency 100 times higher than the best known inhibitor. The results suggest that the designed inhibitor is a suitable lead compound for the development of novel anti-TB drugs
ursolic acid
inhibitor identified by in silico screening, MIC value 0.1 mg/ml
WYW
tripeptide inhibitor, identified using a structure-based approach
[3-(2-hydroxy-4-propylphenoxy)phenyl]boronic acid
-
[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]acetonitrile
-
-
[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl](morpholin-4-yl)methanone
-
-
[4-(9H-fluoren-9-yl) piperazin-1-yl]-benzyl-methanone
0.015 mM, 97% inhibition
[4-(9H-fluoren-9-yl)piperazin-1-yl](1H-indol-5-yl)methanone
0.015 mM, 94% inhibition
[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]acetonitrile
-
less than 30% inhibition at 0.1 mM
[4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl](1H-indol-5-yl)methanone
0.015 mM, 67% inhibition
[4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl](4-methylphenyl)methanone
0.015 mM, 74% inhibition
[4-[(4-fluorophenyl)(phenyl)methyl]piperazin-1-yl](1H-indol-5-yl)methanone
0.015 mM, 81% inhibition
[4-[(4-fluorophenyl)(phenyl)methyl]piperazin-1-yl](phenyl)methanone
0.015 mM, 81% inhibition
[4-[4-([[2-(4-chlorophenyl)ethyl]amino]methyl)-2-hydroxyphenoxy]-3-(methylamino)phenyl]methanaminium
-
predicted inhibitor, based on in-silico screening
[5-(3-carbamoyl-4-phenoxyphenyl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate
12% inhibition at 0.1 mM
[5-(4-chloro-2-hydroxyphenoxy)thiophen-2-yl](piperazin-1-yl)methanone
-
60% inhibition 0.001 mM
[5-chloro-2-(2,4-dichlorophenoxy)phenol]
[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]carbamic acid
-
[oxydi(2,3,1-benzodiazaborinine-1,2-diyl)]bis[(pyridin-4-yl)methanone]
-
(2E)-3-(1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-8-yl)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
-
-
(2E)-3-(1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-8-yl)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
-
-
(2E)-3-(6-aminopyridin-3-yl)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]prop-2-enamide
-
-
(2E)-3-(6-aminopyridin-3-yl)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]prop-2-enamide
-
(2E)-N-(3-methoxy-2-propoxybenzyl)-N-methyl-3-(1'-methyl-2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
-
-
(2E)-N-(3-methoxy-2-propoxybenzyl)-N-methyl-3-(1'-methyl-2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
-
-
(2E)-N-(3-methoxy-2-propoxybenzyl)-N-methyl-3-(2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
-
-
(2E)-N-(3-methoxy-2-propoxybenzyl)-N-methyl-3-(2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3-(2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3-(2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3-(2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3-(2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3-(4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3-(4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(1'-methyl-2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(1'-methyl-2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(3-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(3-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(4-oxo-1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-8-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(4-oxo-1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-8-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(1'-methyl-2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(1'-methyl-2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
-
-
(2E)-N-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]-N-methyl-3-(1'-methyl-2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
-
-
(2E)-N-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]-N-methyl-3-(1'-methyl-2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
-
-
(2E)-N-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]-N-methyl-3-(4-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
-
-
(2E)-N-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]-N-methyl-3-(4-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
-
-
(E)-2-(2-ionicotinoylhydrazineylidene)-N-(3,4,5-trichlorophenyl)propanamide
-
-
-
(E)-2-(2-ionicotinoylhydrazineylidene)-N-(3,4,5-trichlorophenyl)propanamide
-
-
-
(E)-2-(2-ionicotinoylhydrazineylidene)-N-(3,4,5-trichlorophenyl)propanamide
-
-
-
(E)-2-(2-isonicotinoylhydrazineylidene)-N-[3-(trifluoromethoxy)phenyl]propanamide
-
-
-
(E)-2-(2-isonicotinoylhydrazineylidene)-N-[3-(trifluoromethoxy)phenyl]propanamide
-
-
-
(E)-2-(2-isonicotinoylhydrazineylidene)-N-[3-(trifluoromethoxy)phenyl]propanamide
-
-
-
(E)-2-(2-isonicotinoylhydrazineylidene)-N-[3-(trifluoromethyl)phenyl]propanamide
-
-
-
(E)-2-(2-isonicotinoylhydrazineylidene)-N-[3-(trifluoromethyl)phenyl]propanamide
-
-
-
(E)-2-(2-isonicotinoylhydrazineylidene)-N-[3-(trifluoromethyl)phenyl]propanamide
-
-
-
(E)-2-(2-isonicotinoylhydrazineylidene)-N-[4-(perfluorooctyl)phenyl]propanamide
-
-
-
(E)-2-(2-isonicotinoylhydrazineylidene)-N-[4-(perfluorooctyl)phenyl]propanamide
-
-
-
(E)-2-(2-isonicotinoylhydrazineylidene)-N-[4-(perfluorooctyl)phenyl]propanamide
-
-
-
(E)-2-(2-isonicotinoylhydrazineylidene)-N-[4-(trifluoromethoxy)phenyl]propanamide
-
-
-
(E)-2-(2-isonicotinoylhydrazineylidene)-N-[4-(trifluoromethoxy)phenyl]propanamide
-
-
-
(E)-2-(2-isonicotinoylhydrazineylidene)-N-[4-(trifluoromethoxy)phenyl]propanamide
-
-
-
(E)-2-(2-isonicotinoylhydrazineylidene)-N-[4-(trifluoromethyl)phenyl]propanamide
-
-
-
(E)-2-(2-isonicotinoylhydrazineylidene)-N-[4-(trifluoromethyl)phenyl]propanamide
-
-
-
(E)-2-(2-isonicotinoylhydrazineylidene)-N-[4-(trifluoromethyl)phenyl]propanamide
-
-
-
(E)-2-(2-isonicotinoylhydrazineylidene)-N-{4-[(trifluoromethyl)thio]phenyl}propanamide
-
-
-
(E)-2-(2-isonicotinoylhydrazineylidene)-N-{4-[(trifluoromethyl)thio]phenyl}propanamide
-
-
-
(E)-2-(2-isonicotinoylhydrazineylidene)-N-{4-[(trifluoromethyl)thio]phenyl}propanamide
-
-
-
(E)-2-(2-isonicotinoylhydrazineylidene)propanoic acid
-
-
-
(E)-2-(2-isonicotinoylhydrazineylidene)propanoic acid
-
-
-
(E)-2-(2-isonicotinoylhydrazineylidene)propanoic acid
-
-
-
(E)-N-(3,4-dichlorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(3,4-dichlorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(3,4-dichlorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(3,4-difluorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(3,4-difluorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(3,4-difluorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(3,5-dichlorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(3,5-dichlorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(3,5-dichlorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(3-bromophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(3-bromophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(3-bromophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(3-chlorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(3-chlorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(3-chlorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(3-fluorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(3-fluorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(3-fluorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(3-iodophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(3-iodophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(3-iodophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(4-bromophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(4-bromophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(4-bromophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(4-chlorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(4-chlorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(4-chlorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(4-fluorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(4-fluorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(4-fluorophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(4-iodophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(4-iodophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-(4-iodophenyl)-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-methyl-N-(1,2-dimethyl-1H-indol-3-ylmethyl)-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
-
0.000025 mM, 50% inhibition
(E)-N-methyl-N-(1,2-dimethyl-1H-indol-3-ylmethyl)-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
-
0.00006 mM, 50% inhibition
(E)-N-methyl-N-(1-methyl-1H-indol-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
-
0.0006 mM, 50% inhibition
(E)-N-methyl-N-(1-methyl-1H-indol-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
-
0.00005 mM, 50% inhibition
(E)-N-methyl-N-(1-methyl-1H-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
-
0.0004 mM, 50% inhibition
(E)-N-methyl-N-(1-methyl-1H-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
-
0.0001 mM, 50% inhibition
(E)-N-methyl-N-(1-methyl-1H-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
-
0.005 mM, 50% inhibition
(E)-N-methyl-N-(2-methyl-1H-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
-
0.00013 mM, 50% inhibition
(E)-N-methyl-N-(2-methyl-1H-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
-
0.00005 mM, 50% inhibition
(E)-N-methyl-N-(2-methyl-1H-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
-
0.006 mM, 50% inhibition
(E)-N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-[4-(difluoromethoxy)phenyl]-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-[4-(difluoromethoxy)phenyl]-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
(E)-N-[4-(difluoromethoxy)phenyl]-2-(2-isonicotinoylhydrazineylidene)propanamide
-
-
-
1,3-bis(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.0084 mM
1,3-bis(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 32
1,3-dibenzyl-2-methyl-4-pyridone
-
IC50: 0.020 mM
1,3-dibenzyl-2-methyl-4-pyridone
-
MIC (microg/mL): 64
1-(3-amino-2-methylbenzyl)-4-(2-thiophen-2-ylethoxy)pyridin-2(1H)-one
-
-
1-(3-amino-2-methylbenzyl)-4-(2-thiophen-2-ylethoxy)pyridin-2(1H)-one
-
CG400549, potent in vitro and in vivo activity against FabI
1-(3-chlorobenzyl)-3-(2,6-dichlorobenzyl)-2-methylpyridin-4(1H)-one
-
-
1-(3-chlorobenzyl)-3-(2,6-dichlorobenzyl)-2-methylpyridin-4(1H)-one
-
-
1-(4-aminobenzyl)-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.00029 mM
1-(4-aminobenzyl)-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 1
1-benzyl-2-butyl-3-(2,6-dichlorobenzyl)-4-pyridone
-
IC50: 0.0045 mM
1-benzyl-2-butyl-3-(2,6-dichlorobenzyl)-4-pyridone
-
MIC (microg/ml): 32
1-benzyl-2-methyl-3-(2,4,6-trichlorobenzyl)-4-pyridone
-
IC50: 0.0015 mM
1-benzyl-2-methyl-3-(2,4,6-trichlorobenzyl)-4-pyridone
-
MIC (microg/ml): 8
1-benzyl-3-(2,4-dichlorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.0020 mM
1-benzyl-3-(2,4-dichlorobenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 32
1-benzyl-3-(2,6-dichlorobenzyl)-2-ethyl-4-pyridone
-
IC50: 0.00078 mM
1-benzyl-3-(2,6-dichlorobenzyl)-2-ethyl-4-pyridone
-
MIC (microg/ml): 8
1-benzyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.00030 mM
1-benzyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 0.5
1-benzyl-3-(2,6-difluorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.0027 mM
1-benzyl-3-(2,6-difluorobenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 4
1-benzyl-3-(2,6-dimethylbenzyl)-2-methyl-4-pyridone
-
IC50: 0.0043 mM
1-benzyl-3-(2,6-dimethylbenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 16
1-benzyl-3-(2-chloro-6-fluorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.00039 mM
1-benzyl-3-(2-chloro-6-fluorobenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 2
1-benzyl-3-(2-chlorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.0042 mM
1-benzyl-3-(2-chlorobenzyl)-2-methyl-4-pyridone
-
MIC (microg/mL): 64
1-benzyl-3-butyl-2-methyl-4-pyridone
-
IC50: 0.061 mM
1-benzyl-3-butyl-2-methyl-4-pyridone
-
MIC (microg/ml): higher than 128
1-butyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.00031 mM
1-butyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 2
1-cyclohexylmethyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.00022 mM
1-cyclohexylmethyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 0.25
1-decyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.00022 mM
1-decyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 32
2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(3-methylbutyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(3-methylbutyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(3-phenylpropyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(3-phenylpropyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(4-phenylbutyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(4-phenylbutyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-ethylphenol
-
-
2-(2,4-dichlorophenoxy)-5-ethylphenol
-
-
2-(2,4-dichlorophenoxy)-5-methylphenol
-
-
2-(2,4-dichlorophenoxy)-5-methylphenol
-
-
2-(2,4-dichlorophenoxy)-5-propylphenol
-
-
2-(2,4-dichlorophenoxy)-5-propylphenol
-
-
2-(2,4-dichlorophenoxy)-5-[(2-methylphenyl)methyl]phenol
-
-
2-(2,4-dichlorophenoxy)-5-[(2-methylphenyl)methyl]phenol
-
-
2-(2,4-dichlorophenoxy)-5-[(3-methylphenyl)methyl]phenol
-
-
2-(2,4-dichlorophenoxy)-5-[(3-methylphenyl)methyl]phenol
-
-
2-(2,4-dichlorophenoxy)-5-[(4-fluorophenyl)methyl]phenol
-
-
2-(2,4-dichlorophenoxy)-5-[(4-fluorophenyl)methyl]phenol
-
-
2-(2,4-dichlorophenoxy)-5-[(pyridin-2-yl)methyl]phenol
-
-
2-(2,4-dichlorophenoxy)-5-[(pyridin-2-yl)methyl]phenol
-
-
2-(2,4-dichlorophenoxy)-5-[(pyridin-3-yl)methyl]phenol
-
-
2-(2,4-dichlorophenoxy)-5-[(pyridin-3-yl)methyl]phenol
-
-
2-(2,4-dinitrophenoxy)-5-propylphenol
A0A348A0U3
-
2-(2,4-dinitrophenoxy)-5-propylphenol
-
2-(2-chloro-4-nitrophenoxy)-5-propylphenol
A0A348A0U3
-
2-(2-chloro-4-nitrophenoxy)-5-propylphenol
-
2-(3-nitrophenoxy)-5-propylphenol
A0A348A0U3
-
2-(3-nitrophenoxy)-5-propylphenol
-
2-(4-aminophenoxy)-5-propylphenol
A0A348A0U3
-
2-(4-aminophenoxy)-5-propylphenol
-
2-(4-nitrophenoxy)-5-propylphenol
A0A348A0U3
-
2-(4-nitrophenoxy)-5-propylphenol
-
2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-phenylacetamide
-
2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-phenylacetamide
88.12% inhibition at 0.01 mM
2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-phenylacetamide
-
2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-phenylacetamide
58.34% inhibition at 0.01 mM
2-(biphenyl-4-yloxy)-5-chlorophenol
A0A348A0U3
-
2-(biphenyl-4-yloxy)-5-chlorophenol
-
2-(o-tolyloxy)-5-hexylphenol
i.e. PT70, a slow, tight binding inhibitor of InhA. PT70 binds preferentially to the InhA-NAD+ complex, binding structure, overview. It has a residence time of 24 min on the target, which is 14000times longer than that of the rapid reversible inhibitor from which it is derived. The slow onset inhibition is coupled to ordering of an active site loop, which leads to the closure of the substrate-binding pocke
2-(o-tolyloxy)-5-hexylphenol
i.e. PT70, slow, tight binding inhibitor. It binds preferentially to the enzyme/NAD+x01complex and has a residence time of 24 min on the target, which is 14000 times longer than that of the rapid reversible inhibitor from which it is derived. The 1.8 A crystal structure of the ternary complex between InhA, NAD+, and PT70 reveals the molecular details of enzyme inhibitor recognition and supports the hypothesis that slow onset inhibition is coupled to ordering of an active site loop, which leads to the closure of the substrate-binding pocket
2-phenoxy-5-propylphenol
A0A348A0U3
-
2-phenoxy-5-propylphenol
minimal inhibitory concentration for Burkholderia pseudomallei growth above 250 mg/l
2-phenoxyphenol
-
noncompetitive inhibition
2-phenoxyphenol
PP, dissociation constant of the inhibitor from the enzyme-NAD+ product complex: 0.5 microM
2-[2-(dimethylamino)-4-sulfanylphenoxy]-5-{[(2-phenylethyl)amino]methyl}phenol
-
-
2-[2-(dimethylamino)-4-sulfanylphenoxy]-5-{[(2-phenylethyl)amino]methyl}phenol
-
-
2-[2-[4-(1H-pyrrol-1-yl)benzoyl]hydrazineylidene]-N-(4-fluorophenyl)propanamide
-
-
-
2-[2-[4-(1H-pyrrol-1-yl)benzoyl]hydrazineylidene]-N-(4-fluorophenyl)propanamide
-
-
-
2-[4-({[(2,3-dihydro-1-benzofuran-6-yl)methyl]amino}methyl)-2-hydroxyphenoxy]-5-methylbenzonitrile
-
-
2-[4-({[(2,3-dihydro-1-benzofuran-6-yl)methyl]amino}methyl)-2-hydroxyphenoxy]-5-methylbenzonitrile
-
-
3'-methyl-4-[2-(methylamino)-4-(3-methylbutyl)phenoxy][1,1'-biphenyl]-3-ol
-
-
3'-methyl-4-[2-(methylamino)-4-(3-methylbutyl)phenoxy][1,1'-biphenyl]-3-ol
-
-
3'-methyl-4-[2-(methylamino)-4-(propan-2-yl)phenoxy][1,1'-biphenyl]-3-ol
-
-
3'-methyl-4-[2-(methylamino)-4-(propan-2-yl)phenoxy][1,1'-biphenyl]-3-ol
-
-
3'-methyl-4-{[3-(methylamino)[1,1'-biphenyl]-4-yl]oxy}[1,1'-biphenyl]-3-ol
-
-
3'-methyl-4-{[3-(methylamino)[1,1'-biphenyl]-4-yl]oxy}[1,1'-biphenyl]-3-ol
-
-
3-(2,6-dichlorobenzyl)-1,2-dimethyl-4-pyridone
-
IC50: 0.011 mM
3-(2,6-dichlorobenzyl)-1,2-dimethyl-4-pyridone
-
MIC (microg/ml): higher than 128
3-(2,6-dichlorobenzyl)-1-(4-nitrobenzyl)-2-methyl-4-pyridone
-
IC50: 0.0018 mM
3-(2,6-dichlorobenzyl)-1-(4-nitrobenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 16
3-(2,6-dichlorobenzyl)-1-(5-hydroxypentyl)-2-methyl-4-pyridone
-
IC50: 0.0018 mM
3-(2,6-dichlorobenzyl)-1-(5-hydroxypentyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 8
3-(2,6-dichlorobenzyl)-1-furfuryl-2-methyl-4-pyridone
-
IC50: 0.00047 mM
3-(2,6-dichlorobenzyl)-1-furfuryl-2-methyl-4-pyridone
-
MIC (microg/ml): 2
3-(2,6-dichlorobenzyl)-2-methyl-1-(thiophen-2-ylmethyl)pyridin-4(1H)-one
-
-
3-(2,6-dichlorobenzyl)-2-methyl-1-(thiophen-2-ylmethyl)pyridin-4(1H)-one
-
-
3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.120 mM
3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): higher than 64
3-chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile
A0A348A0U3
-
3-chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile
crystal and binding structure determination, overview
3-chloro-4-[2-hydroxy-4-[(2-methylphenyl)methyl]phenoxy]benzonitrile
-
-
3-chloro-4-[2-hydroxy-4-[(2-methylphenyl)methyl]phenoxy]benzonitrile
-
-
3-chloro-4-[2-hydroxy-4-[(pyridin-4-yl)methyl]phenoxy]benzonitrile
-
-
3-chloro-4-[2-hydroxy-4-[(pyridin-4-yl)methyl]phenoxy]benzonitrile
-
-
3-cyclohexylmethyl-1-benzyl-2-methyl-4-pyridone
-
IC50: 0.00040 mM
3-cyclohexylmethyl-1-benzyl-2-methyl-4-pyridone
-
MIC (microg/ml): 32
3-formyl-2-phenoxy phenol
inhibitory activity with recombinant purified protein, IC50: 0.00130 mM; inhibitory activity with recombinant purified protein, inhibitory activity on cultures of Escherichia coli, IC50: 0.00200 mM
3-formyl-2-phenoxy phenol
-
inhibitory activity with recombinant purified protein, inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.07708 mM; inhibitory activity with recombinant purified protein, inhibitory activity with recombinant purified protein, IC50: 0.00028 mM
3-hydroxy-4-phenoxy benzoic acid
inhibitory activity on cultures of Escherichia coli, IC50: higher than 0.100 mM; inhibitory activity with recombinant purified protein, IC50: higher than 0.100 mM
3-hydroxy-4-phenoxy benzoic acid
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.79627 mM; inhibitory activity with recombinant purified protein, IC50: higher than 0.100 mM
3-hydroxy-4-phenoxy benzyl alcohol
inhibitory activity on cultures of Escherichia coli, IC50: higher than 0.100 mM; inhibitory activity with recombinant purified protein, IC50: higher than 0.100 mM
3-hydroxy-4-phenoxy benzyl alcohol
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.08524 mM; inhibitory activity with recombinant purified protein, IC50: higher than 0.100 mM
4-(2',4'-dichlorophenoxy)-3-hydroxybenzaldehyde
inhibitory activity on cultures of Escherichia coli, IC50: 0.01434 mM; inhibitory activity with recombinant purified protein, IC50: 0.00183 mM
4-(2',4'-dichlorophenoxy)-3-hydroxybenzaldehyde
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.02084 mM; inhibitory activity with recombinant purified protein, IC50: 0.00038 mM
4-(2',4'-dichlorophenoxy)-3-hydroxybenzoic acid
inhibitory activity on cultures of Escherichia coli, IC50: 0.01916 mM; inhibitory activity with recombinant purified protein, IC50: 0.00225 mM
4-(2',4'-dichlorophenoxy)-3-hydroxybenzoic acid
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.16072 mM; inhibitory activity with recombinant purified protein, IC50: 0.00056 mM
4-(2',4'-dichlorophenoxy)-3-hydroxybenzyl alcohol
inhibitory activity on cultures of Escherichia coli, IC50: 0.04004 mM; inhibitory activity with recombinant purified protein, IC50: 0.00383 mM
4-(2',4'-dichlorophenoxy)-3-hydroxybenzyl alcohol
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.01480 mM; inhibitory activity with recombinant purified protein, IC50: 0.00080 mM
4-(2',4'-dichlorophenoxy)-3-hydroxybenzylchloride
inhibitory activity on cultures of Escherichia coli, IC50: 0.01845 mM; inhibitory activity with recombinant purified protein, IC50: 0.00570 mM
4-(2',4'-dichlorophenoxy)-3-hydroxybenzylchloride
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.02549 mM; inhibitory activity with recombinant purified protein, IC50: 0.00070 mM
4-(2',4'-dinitrophenoxy)-3-hydroxybenzaldehyde
inhibitory activity on cultures of Escherichia coli, IC50: higher than 0.100 mM; inhibitory activity with recombinant purified protein, IC50: higher than 0.100 mM
4-(2',4'-dinitrophenoxy)-3-hydroxybenzaldehyde
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.03471 mM; inhibitory activity with recombinant purified protein, IC50: 0.07459 mM
4-(2',4'-dinitrophenoxy)-3-hydroxybenzoic acid
inhibitory activity with recombinant purified protein, IC50: higher than 0.100 mM
4-(2',4'-dinitrophenoxy)-3-hydroxybenzoic acid
-
inhibitory activity with recombinant purified protein, IC50: 0.08457 mM
4-(2,4-dichlorophenoxy)-3-hydroxybenzonitrile
-
97% inhibition at 1 mM
4-(2,4-dichlorophenoxy)-3-hydroxybenzonitrile
-
-
4-(benzyloxy)-1-(2-chloro-4-nitrobenzyl)pyridin-2(1H)-one
-
-
4-(benzyloxy)-1-(2-chloro-4-nitrobenzyl)pyridin-2(1H)-one
-
4-(benzyloxy)-1-(2-chlorobenzyl)pyridin-2(1H)-one
-
-
4-(benzyloxy)-1-(2-chlorobenzyl)pyridin-2(1H)-one
-
4-phenoxybenzene-1,3-diol
A0A348A0U3
-
4-phenoxybenzene-1,3-diol
-
4-[(3-ethyl[1,1'-biphenyl]-4-yl)oxy]-3'-methyl[1,1'-biphenyl]-3-ol
-
-
4-[(3-ethyl[1,1'-biphenyl]-4-yl)oxy]-3'-methyl[1,1'-biphenyl]-3-ol
-
-
4-[2-(dimethylamino)-4-(3-methylbutyl)phenoxy]-3'-methyl[1,1'-biphenyl]-3-ol
-
-
4-[2-(dimethylamino)-4-(3-methylbutyl)phenoxy]-3'-methyl[1,1'-biphenyl]-3-ol
-
-
4-[2-(dimethylamino)-4-(propan-2-yl)phenoxy]-3'-methyl[1,1'-biphenyl]-3-ol
-
-
4-[2-(dimethylamino)-4-(propan-2-yl)phenoxy]-3'-methyl[1,1'-biphenyl]-3-ol
-
-
4-[2-ethyl-4-(3-methylbutyl)phenoxy]-3'-methyl[1,1'-biphenyl]-3-ol
-
-
4-[2-ethyl-4-(3-methylbutyl)phenoxy]-3'-methyl[1,1'-biphenyl]-3-ol
-
-
4-[2-ethyl-4-(propan-2-yl)phenoxy]-3'-methyl[1,1'-biphenyl]-3-ol
-
-
4-[2-ethyl-4-(propan-2-yl)phenoxy]-3'-methyl[1,1'-biphenyl]-3-ol
-
-
4-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]methylbenzamide
-
IC50: 0.0025 mM
4-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]methylbenzamide
-
MIC (microg/ml): 32
4-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]methylbenzoic acid
-
IC50: 0.022 mM
4-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]methylbenzoic acid
-
MIC (microg/ml): higher than 128
4-[3-(9H-carbazol-9-yl)propoxy]-1-(2-chlorobenzyl)pyridin-2(1H)-one
-
-
4-[3-(9H-carbazol-9-yl)propoxy]-1-(2-chlorobenzyl)pyridin-2(1H)-one
-
4-[4-({[2-(4-chlorophenyl)ethyl]amino}methyl)-2-hydroxyphenoxy]-3-(methylamino)anilinium
-
-
4-[4-({[2-(4-chlorophenyl)ethyl]amino}methyl)-2-hydroxyphenoxy]-3-(methylamino)anilinium
-
-
4-{4-[(benzylamino)methyl]-2-hydroxyphenoxy}-3-chlorobenzonitrile
-
-
4-{4-[(benzylamino)methyl]-2-hydroxyphenoxy}-3-chlorobenzonitrile
-
-
4-{[3-(dimethylamino)[1,1'-biphenyl]-4-yl]oxy}-3'-methyl[1,1'-biphenyl]-3-ol
-
-
4-{[3-(dimethylamino)[1,1'-biphenyl]-4-yl]oxy}-3'-methyl[1,1'-biphenyl]-3-ol
-
-
5-(anilinomethyl)-2-[(3-ethyl[1,1'-biphenyl]-4-yl)oxy]phenol
-
-
5-(anilinomethyl)-2-[(3-ethyl[1,1'-biphenyl]-4-yl)oxy]phenol
-
-
5-(anilinomethyl)-2-[2-(dimethylamino)-4-(3-methylbutyl)phenoxy]phenol
-
-
5-(anilinomethyl)-2-[2-(dimethylamino)-4-(3-methylbutyl)phenoxy]phenol
-
-
5-(anilinomethyl)-2-[2-(dimethylamino)-4-(propan-2-yl)phenoxy]phenol
-
-
5-(anilinomethyl)-2-[2-(dimethylamino)-4-(propan-2-yl)phenoxy]phenol
-
-
5-(anilinomethyl)-2-[2-(methylamino)-4-(3-methylbutyl)phenoxy]phenol
-
-
5-(anilinomethyl)-2-[2-(methylamino)-4-(3-methylbutyl)phenoxy]phenol
-
-
5-(anilinomethyl)-2-[2-(methylamino)-4-(propan-2-yl)phenoxy]phenol
-
-
5-(anilinomethyl)-2-[2-(methylamino)-4-(propan-2-yl)phenoxy]phenol
-
-
5-(anilinomethyl)-2-[2-ethyl-4-(3-methylbutyl)phenoxy]phenol
-
-
5-(anilinomethyl)-2-[2-ethyl-4-(3-methylbutyl)phenoxy]phenol
-
-
5-(anilinomethyl)-2-[2-ethyl-4-(propan-2-yl)phenoxy]phenol
-
-
5-(anilinomethyl)-2-[2-ethyl-4-(propan-2-yl)phenoxy]phenol
-
-
5-(anilinomethyl)-2-{[3-(dimethylamino)[1,1'-biphenyl]-4-yl]oxy}phenol
-
-
5-(anilinomethyl)-2-{[3-(dimethylamino)[1,1'-biphenyl]-4-yl]oxy}phenol
-
-
5-(anilinomethyl)-2-{[3-(methylamino)[1,1'-biphenyl]-4-yl]oxy}phenol
-
-
5-(anilinomethyl)-2-{[3-(methylamino)[1,1'-biphenyl]-4-yl]oxy}phenol
-
-
5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol
-
-
5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol
-
-
5-(cyclohexylmethyl)-2-[(3-ethyl[1,1'-biphenyl]-4-yl)oxy]phenol
-
-
5-(cyclohexylmethyl)-2-[(3-ethyl[1,1'-biphenyl]-4-yl)oxy]phenol
-
-
5-(cyclohexylmethyl)-2-[2-(dimethylamino)-4-(3-methylbutyl)phenoxy]phenol
-
-
5-(cyclohexylmethyl)-2-[2-(dimethylamino)-4-(3-methylbutyl)phenoxy]phenol
-
-
5-(cyclohexylmethyl)-2-[2-(dimethylamino)-4-(propan-2-yl)phenoxy]phenol
-
-
5-(cyclohexylmethyl)-2-[2-(dimethylamino)-4-(propan-2-yl)phenoxy]phenol
-
-
5-(cyclohexylmethyl)-2-[2-(methylamino)-4-(3-methylbutyl)phenoxy]phenol
-
-
5-(cyclohexylmethyl)-2-[2-(methylamino)-4-(3-methylbutyl)phenoxy]phenol
-
-
5-(cyclohexylmethyl)-2-[2-(methylamino)-4-(propan-2-yl)phenoxy]phenol
-
-
5-(cyclohexylmethyl)-2-[2-(methylamino)-4-(propan-2-yl)phenoxy]phenol
-
-
5-(cyclohexylmethyl)-2-[2-ethyl-4-(3-methylbutyl)phenoxy]phenol
-
-
5-(cyclohexylmethyl)-2-[2-ethyl-4-(3-methylbutyl)phenoxy]phenol
-
-
5-(cyclohexylmethyl)-2-[2-ethyl-4-(propan-2-yl)phenoxy]phenol
-
-
5-(cyclohexylmethyl)-2-[2-ethyl-4-(propan-2-yl)phenoxy]phenol
-
-
5-(cyclohexylmethyl)-2-{[3-(dimethylamino)[1,1'-biphenyl]-4-yl]oxy}phenol
-
-
5-(cyclohexylmethyl)-2-{[3-(dimethylamino)[1,1'-biphenyl]-4-yl]oxy}phenol
-
-
5-(cyclohexylmethyl)-2-{[3-(methylamino)[1,1'-biphenyl]-4-yl]oxy}phenol
-
-
5-(cyclohexylmethyl)-2-{[3-(methylamino)[1,1'-biphenyl]-4-yl]oxy}phenol
-
-
5-({[(2,3-dihydro-1-benzofuran-6-yl)methyl]amino}methyl)-2-[2-methyl-4-(methylamino)phenoxy]phenol
-
-
5-({[(2,3-dihydro-1-benzofuran-6-yl)methyl]amino}methyl)-2-[2-methyl-4-(methylamino)phenoxy]phenol
-
-
5-({[2-(4-chlorophenyl)ethyl]amino}methyl)-2-[2-(dimethylamino)-4-ethylphenoxy]phenol
-
-
5-({[2-(4-chlorophenyl)ethyl]amino}methyl)-2-[2-(dimethylamino)-4-ethylphenoxy]phenol
-
-
5-({[2-(4-chlorophenyl)ethyl]amino}methyl)-2-[2-ethyl-4-(sulfanylmethyl)phenoxy]phenol
-
-
5-({[2-(4-chlorophenyl)ethyl]amino}methyl)-2-[2-ethyl-4-(sulfanylmethyl)phenoxy]phenol
-
-
5-butyl-2-(2,4-dichlorophenoxy)phenol
-
-
5-butyl-2-(2,4-dichlorophenoxy)phenol
-
-
5-chloro-2-(2,4-dichlorophenoxy)phenol
-
-
5-chloro-2-(2,4-dichlorophenoxy)phenol
-
-
5-chloro-2-(2,4-dichlorophenoxy)phenol
-
Triclosan
5-chloro-2-(2,4-dichlorophenoxy)phenol
-
5-chloro-2-(2-chloro-4-nitrophenoxy)phenol
A0A348A0U3
-
5-chloro-2-(2-chloro-4-nitrophenoxy)phenol
-
-
5-chloro-2-(2-nitrophenoxy)phenol
A0A348A0U3
-
5-chloro-2-(2-nitrophenoxy)phenol
-
5-chloro-2-(4-hydroxyphenoxy)phenol
A0A348A0U3
-
5-chloro-2-(4-hydroxyphenoxy)phenol
-
5-chloro-2-(4-nitrophenoxy)phenol
A0A348A0U3
-
5-chloro-2-(4-nitrophenoxy)phenol
-
5-chloro-2-phenoxyaniline
A0A348A0U3
-
5-chloro-2-phenoxyaniline
-
5-chloro-2-phenoxyphenol
A0A348A0U3
-
5-chloro-2-phenoxyphenol
-
slow binding inhibitor
5-chloro-2-phenoxyphenol
CPP, dissociation constant of the inhibitor from the enzyme-NAD+ product complex: 1.1 pM
5-chloro-2-phenoxyphenol
-
Triclosan derivative
5-chloro-2-phenoxyphenol
-
5-cyclohexyl-2-(2-hydrazinyl-4-propylphenoxy)phenol
-
-
5-cyclohexyl-2-(2-hydrazinyl-4-propylphenoxy)phenol
-
-
5-ethyl-2-phenoxyphenol
minimal inhibitory concentration for Burkholderia pseudomallei growth 70 mg/l
5-ethyl-2-phenoxyphenol
-
5-fluoro-2-phenoxyphenol
-
slow binding inhibitor
5-fluoro-2-phenoxyphenol
FPP, dissociation constant of the inhibitor from the enzyme-NAD+ product complex: 1.5 nM
5-pentyl-2-phenoxyphenol
minimal inhibitory concentration for Burkholderia pseudomallei growth above 250 mg/l
5-pentyl-2-phenoxyphenol
-
5-[(benzylamino)methyl]-2-[2-(dimethylamino)-4-ethylphenoxy]phenol
-
-
5-[(benzylamino)methyl]-2-[2-(dimethylamino)-4-ethylphenoxy]phenol
-
predicted inhibitor, based on in-silico screening
5-[(benzylamino)methyl]-2-[2-(dimethylamino)-4-ethylphenoxy]phenol
-
-
5-[[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
-
5-[[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
6-butyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.00038 mM
6-butyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 8
6-cyclohexylmethyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.00029 mM
6-cyclohexylmethyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 2
6-methyl-2-(propane-1-sulfonyl)-4a,7a-dihydro-2H-thieno[3,2-d][1,2,3]diazaborinin-1-ol
-
6-methyl-2-(propane-1-sulfonyl)-4a,7a-dihydro-2H-thieno[3,2-d][1,2,3]diazaborinin-1-ol
-
diazaborine derviative 2b18, 90% loss of NADH-dependent activity, 50% loss of NADPH-dependent activity at 0.52 mM
acetoacetyl-CoA
-
about 20% inhibition at 0.2 mM
anthecotulide
-
-
anthecotulide
-
moderate inhibition
carfilzomib
proteasome inhibitor, shows a high binding affinity and binds strongly to the active sites of FabI and FabV proteins, and Mycobacterium tuberculosis InhA; proteasome inhibitor, shows a high binding affinity and binds strongly to the active sites of FabI and FabV proteins, and Mycobacterium tuberculosis InhA
carfilzomib
proteasome inhibitor, shows a high binding affinity and binds strongly to the active sites of Klebsiella pneumoniae FabI and FabV proteins, and Mycobacterium tuberculosis InhA
cerulenin
-
-
diazaborine
-
0.019 mM, 50% inhibition of wild-type FabI1, 0.25 mM, 50% inhibition of P155Q mutant FabI1
epigallocatechin gallate
-
-
epigallocatechin gallate
-
-
ethambutol
-
-
Ethionamide
-
indole
-
-
iodoacetamide
-
no inhibition at 10 mM
isoniazid
-
-
isoniazid
competitive inhibitor with respect to NADH
isoniazid
-
INH, isonicotinic acid hydrazide
isoniazid
inhibition involves a covalent attachment of the activated form of the drug to the nicotinamide ring of NADH
isoniazid
-
fast and efficient inhibition of InhA in the presence of NADH and INH using MnIII-pyrophosphate as nonenzymatic reagent. This chemical oxidant might be a useful tool for further mechanistic studies of isoniazid activation in attempts to establish the exact structures of isoniazid reactive species and InhA inhibitor complex(es).
isoniazid
prodrug which is biologically activated by the Mycobacterium tuberculosis catalase-peroxidase KatG enzyme. The activation reaction promotes the formation of an isonicotinyl-NAD adduct which inhibits the InhA enzyme, resulting in reduction of mycolic acid biosynthesis
isoniazid
inhibits InhA via formation of a covalent adduct with NAD+. KatG, the mycobacterial catalase-peroxidase, is essential for isoniazid activation. While cross-linking studies indicate that enzyme inhibition causes dissociation of the InhA tetramer into dimers, analytical ultracentrifugation and size exclusion chromatography reveal that ligand binding causes a conformational change in the protein that prevents cross-linking across one of the dimer-dimer interfaces in the InhA tetramer
isoniazid
potent inhibitor
luteolin
i.e. 3',4',5,7-tetrahydroxyflavone, uncompetitive inhibition of FabI, sensitivity is decreased in FabI-overexpressing Escherichia coli
luteolin
-
IC50: 2 microM
methyl 4-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]methylbenzoate
-
IC50: 0.00030 mM
methyl 4-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]methylbenzoate
-
MIC (microg/ml): higher than 128
N-ethylmaleimide
-
no inhibition at 1 mM, 97% inhibition at 10 mM, inhibition can be partially reversed by dithiothreitol
N-[4-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide
A0A348A0U3
-
N-[4-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide
-
NADH
-
p-chloromercuribenzoate
-
complete inhibition at 0.1 mM, inhibition can be prevented by preincubation with crotonyl-CoA
p-chloromercuribenzoate
-
87% inhibition at 0.1 mM
palmitoyl-CoA
-
50% inhibition at 0.0054 mM, competitive inhibition
palmitoyl-CoA
-
nearly 50% inhibition at 0.02 mM
panosialin A
-
acylbenzenediol sulfate metabolites from Streptomyces sp. AN1761, potently inhibits bacterial enoyl-ACP reductases of Staphylococcus aureus, Streptococcus pneumoniae, and Mycobacterium tuberculosis
panosialin A
-
acylbenzenediol sulfate metabolites from Streptomyces sp. AN1761, potently inhibits bacterial enoyl-ACP reductases of Staphylococcus aureus, Streptococcus pneumoniae, and Mycobacterium tuberculosis
panosialin B
-
acylbenzenediol sulfate metabolites from Streptomyces sp. AN1761, potently inhibits bacterial enoyl-ACP reductases of Staphylococcus aureus, Streptococcus pneumoniae, and Mycobacterium tuberculosis
panosialin B
-
acylbenzenediol sulfate metabolites from Streptomyces sp. AN1761, potently inhibits bacterial enoyl-ACP reductases of Staphylococcus aureus, Streptococcus pneumoniae, and Mycobacterium tuberculosis
panosialin wA
-
acylbenzenediol sulfate metabolites from Streptomyces sp. AN1761, potently inhibits bacterial enoyl-ACP reductases of Staphylococcus aureus, Streptococcus pneumoniae, and Mycobacterium tuberculosis
panosialin wA
-
acylbenzenediol sulfate metabolites from Streptomyces sp. AN1761, potently inhibits bacterial enoyl-ACP reductases of Staphylococcus aureus, Streptococcus pneumoniae, and Mycobacterium tuberculosis
panosialin wB
-
acylbenzenediol sulfate metabolites from Streptomyces sp. AN1761, potently inhibits bacterial enoyl-ACP reductases of Staphylococcus aureus, Streptococcus pneumoniae, and Mycobacterium tuberculosis
panosialin wB
-
acylbenzenediol sulfate metabolites from Streptomyces sp. AN1761, potently inhibits bacterial enoyl-ACP reductases of Staphylococcus aureus, Streptococcus pneumoniae, and Mycobacterium tuberculosis
pentacyano(isoniazid)ferrate(II)
-
inhibits both wild-type and isoniazid-resistant I21V mutants of InhA. Inactivation does not require activation by KatG. Compound strongly interacts with InhA, the interactions lead to macromolecular instabilities reflected in the long time necessary for simulation convergence. The instabilities are mainly due to perturbation of the substrate binding loop, particularly the partial denaturation of helices alpha6 and alpha7. The association of the inhibitor with enzyme is very strong in the first 20.0 ns, but becomes very week at the end of the moleculár dynamics simulation
pentacyano(isoniazid)ferrate(II)
the inorganic complex inhibits both wild-type and isoniazid-resistant Ile21Val mutants of InhA and this inactivation did not require activation by KatG. Molecular dynamics simulations show that the interaction of pentacyano(isoniazid)ferrate(II) with InhA leads to macromolecular instabilities reflected in the long time necessary for simulation convergence. These instabilities are mainly due to perturbation of the substrate binding loop, particularly the partial denaturation of helices alpha6 and alpha7
Phenylglyoxal
-
98% inhibition at 4.8 mM within 30 min, reversible inhibition by binding at the active site, inhibition is prevented by CoA, ADP, AMP
Phenylglyoxal
-
preincubation with NADH prevents whereas NADPH increases the inhibition
rifampicin
-
-
triclosan
-
triclosan
-
potent inhibitor
triclosan
a slow-binding inhibitor of bsFabI and formed a stable bsFabI-NAD+-triclosan ternary complex
triclosan
a rapid, reversible inhibitor of bmFabV, and a competitive inhibitor with respect to NADH and an uncompetitive inhibitor with respect to the substrate 2-dodecenoyl-CoA. Triclosan binds to the enzyme-NAD+ product complex which is in rapid and reversible equilibrium with other intermediates on the reaction pathway; competitive inhibitor with respect to NADH and an uncompetitive inhibitor with respect to the substrate 2-dodecenoyl-CoA
triclosan
minimal inhibitory concentration for Burkholderia pseudomallei growth 30 mg/l
triclosan
-
0.01 mM, 50% inhibition of wild-type FabI1, 0.15 mM, 50% inhibition of P155Q mutant FabI1
triclosan
-
potent inhibitor
triclosan
inhibitory activity on cultures of Escherichia coli, IC50: 0.00075 mM; inhibitory activity with recombinant purified protein, IC50: 2.01
triclosan
-
IC50: 0.00051 mM
triclosan
-
37% inhibition at 0.03 mM
triclosan
-
96% inhibition at 0.043 mM
triclosan
binding of triclosan to wild-type InhA is uncompetitive with respect to both NADH and trans-2-dodecenoyl-CoA. Replacement of Y158, the catalytic tyrosine residue, with Phe, reduces the affinity of triclosan for the enzyme and results in noncompetitive inhibition. I47T and I21V, two InhA mutations that occur in isoniazid-resistant clinical isolates of Mycobacterium tuberculosis, show unimpaired inhibition by triclosan, with uncompetitive inhibition constants
triclosan
-
demonstration of triclosan inhibition of InhA in yeast represents a meaningful variation in studying this effect in mycobacteria, because it occurrs without the potentially confusing aspects of perturbing protein-protein interactions which are presumed vital to mycobacterial FASII, inactivating other important enzymes or eliciting a dedicated transcriptional response in Mycobacterium tuberculosis
triclosan
more than 99% inhibition at 0.05 mM
triclosan
complete inhibition at 0.05 mM, 58% inhibition at 0.0005 mM
triclosan
-
more than 99% inhibition at 0.05 mM
triclosan
more than 99% inhibition at 0.05 mM
triclosan
56% inhibition at 0.0003 mM
triclosan
-
increase in inhibition in the presence of NAD+ due to the movement of the substrate-binding loop
triclosan
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.00080 mM; inhibitory activity with recombinant purified protein, IC50: 0.00020 mM
triclosan
-
0.2% residual activity at 0.05 mM
triclosan
-
uncompetitive inhibitor
triclosan
-
triclosan lowers the Ki of epigallocatechin gallate
triclosan
competitive with NADH, uncompetitive with NAD+
triclosan
i.e. 5-chloro-2-(2,4-dichlorophenoxy)phenol
triclosan
-
0.00007 mM, 50% inhibition
triclosan
-
MIC (microg/ml): 0.125
triclosan
-
98% inhibition at 0.001 mM
triclosan
triclosan may occupy the active site of FabI2 and form stable interactions with active catalytic residues. Mild resistance (20 microg/ml minimum inhibitory concentration) of FabI2 to triclosan is confined to the relatively less bulky side chain of A128. Substitution of A128 in FabI2 with valine elevates triclosan resistance
[5-chloro-2-(2,4-dichlorophenoxy)phenol]
50% inhibition at 0.016 mM, builds a stable complex with FabI and NAD+, but inhibition of YgaA is reversible
[5-chloro-2-(2,4-dichlorophenoxy)phenol]
i.e. triclosan, concentration required for 50% inhibition approximates to 50% of the enzyme concentration, competitive with respect to NADH, uncompetitive with respect to NAD+, inhibition is reversible and promoted by NAD+
[5-chloro-2-(2,4-dichlorophenoxy)phenol]
-
50% inhibition at 0.0001 mM in the presence of NAD+, 50% inhibition at 0.0024 mM in the absence of NAD+
[5-chloro-2-(2,4-dichlorophenoxy)phenol]
-
-
[5-chloro-2-(2,4-dichlorophenoxy)phenol]
-
competitive with respect to NADH, uncompetitive with respect to NAD+
additional information
-
not inhibited by anthecotulide, 4-hydroxyanthecotulide, and 4-acetoxyanthecotulide
-
additional information
MMIC50 values of the natural inhibitors, overview
-
additional information
-
not inhibited by 3-hydroxybutyryl-CoA, butyryl-CoA, hexanoyl-CoA, octanoyl-CoA
-
additional information
-
the enzyme is resistant to isoniazid, ansamycines, ofloxacin, and ethambutol
-
additional information
-
not inhibited by 4-hydroxyanthecotulide and 4-acetoxyanthecotulide
-
additional information
28 2-(4-oxoquinazolin-3(4H)-yl)acetamide derivatives are synthesized and evaluated for their in vitro Mycobacterium tuberculosis InhA inhibition. Compounds are evaluated for their in vitro activity against drug sensitive and resistant Mycobacterium tuberculosis strains and cytotoxicity against RAW 264.7 cell line. Compounds are docked at the active site of InhA to understand their binding mode and differential scanning fluorimetry is performed to ascertain their protein interaction and stability
-
additional information
-
28 2-(4-oxoquinazolin-3(4H)-yl)acetamide derivatives are synthesized and evaluated for their in vitro Mycobacterium tuberculosis InhA inhibition. Compounds are evaluated for their in vitro activity against drug sensitive and resistant Mycobacterium tuberculosis strains and cytotoxicity against RAW 264.7 cell line. Compounds are docked at the active site of InhA to understand their binding mode and differential scanning fluorimetry is performed to ascertain their protein interaction and stability
-
additional information
a series of piperazine derivatives is synthesized and screened as MtInhA inhibitors, which results in the identification of compounds with IC50 values in the submicromolar range
-
additional information
-
a series of piperazine derivatives is synthesized and screened as MtInhA inhibitors, which results in the identification of compounds with IC50 values in the submicromolar range
-
additional information
-
the heterologous enzyme is ectopically expressed in a yeast mutant strain from which the native gene encoding the corresponding mitochondrial FASII enzyme is missing.Using an appropriate fungal mitochondrial leader sequence, the mycobacterial protein is directed to the mitochondria, where it can rescue the respiratory growth phenotype of the mutant. The rationale behind the assay is that added antimycolates are foreseen to inhibit the mycobacterial enzyme, thereby recreating the respiratory deficiency of the original mutant, discernible as poor colony formation and growth on glycerol medium
-
additional information
not inhibited by N-(4-phenyl-1,3-thiazol-2-yl)-4-(1H-pyrrol-1-yl)benzamide
-
additional information
-
structure-based approach for development of 2'-substituted analogues of triclosan as enzyme inhibitors, binding energies and IC50 in culture, overview
-
additional information
not inhibited by (-)-epigallocatechin gallate, chloroquine, and podophyllotoxin
-
additional information
-
not inhibited by triclosan
-
additional information
-
not inhibitory: arsenite
-
additional information
drug design, synthesis, and evaluation of the compounds concerning antiparasite activity and toxicity to host cells, overview
-
additional information
-
the enzyme is very resistant to triclosan
-
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0.0003
(-)-catechin gallate
Plasmodium falciparum
-
IC50: 0.3 microM
0.0002
(-)-epicatechin gallate
Plasmodium falciparum
-
IC50: 0.2 microM
0.0002
(-)-epigallocatechin gallate
Plasmodium falciparum
-
IC 50: 0.2 microM
0.0005
(-)-gallocatechin gallate
Plasmodium falciparum
-
IC50: 0.5 microM
0.099
(2E)-1-[4-(1H-pyrrol-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
Mycobacterium tuberculosis
pH and temperature not specified in the publication
-
0.2475
(2E)-3-(4-methoxyphenyl)-1-[4-(1H-pyrrol-1-yl)phenyl]prop-2-en-1-one
Mycobacterium tuberculosis
pH and temperature not specified in the publication
-
0.198
(2E)-3-(4-methylphenyl)-1-[4-(1H-pyrrol-1-yl)phenyl]prop-2-en-1-one, (2E)-3-(6-fluorocyclohexa-1,5-dien-1-yl)-1-[4-(1H-pyrrol-1-yl)phenyl]prop-2-en-1-one
Mycobacterium tuberculosis
pH and temperature not specified in the publication
-
0.0792
(2E)-3-[(4Z)-4-ethylidenecyclohexa-1,5-dien-1-yl]-1-[4-(1H-pyrrol-1-yl)phenyl]prop-2-en-1-one
Mycobacterium tuberculosis
pH and temperature not specified in the publication
-
0.0004
(4-(9H-fluoren-9-yl) piperazin-1-yl)-(4-methylbenzyl)-methanone
Mycobacterium tuberculosis
23°C, pH not specified in the publication
0.00157
(4-(9H-fluoren-9-yl)piperazin-1-yl) (2,5-difluorophenyl)methanone
Mycobacterium tuberculosis
pH 7.0, 25°C
0.000361
(4-(9H-fluoren-9-yl)piperazin-1-yl) (2-fluorophenyl)methanone
Mycobacterium tuberculosis
pH 7.0, 25°C
0.00024
(4-(9H-fluoren-9-yl)piperazin-1-yl) (3-fluorophenyl)methanone
Mycobacterium tuberculosis
pH 7.0, 25°C
0.00025
(4-(9H-Fluoren-9-yl)piperazin-1-yl) (3-tolyl)methanone
Mycobacterium tuberculosis
pH 7.0, 25°C
0.00169
(4-(9H-fluoren-9-yl)piperazin-1-yl) (4-chlorophenyl)methanone
Mycobacterium tuberculosis
pH 7.0, 25°C
0.000397
(4-(9H-fluoren-9-yl)piperazin-1-yl) (4-fluorophenyl)methanone
Mycobacterium tuberculosis
pH 7.0, 25°C
0.0029
(4-(9H-fluoren-9-yl)piperazin-1-yl) (4-methoxyphenyl)methanone
Mycobacterium tuberculosis
pH 7.0, 25°C
0.000222
(4-(9H-fluoren-9-yl)piperazin-1-yl) (4-tolyl)methanone
Mycobacterium tuberculosis
pH 7.0, 25°C
0.000183
(4-(9H-fluoren-9-yl)piperazin-1-yl) (phenyl)methanone
Mycobacterium tuberculosis
pH 7.0, 25°C
0.00104
(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-(1H-indole-5-carbonyl)-methanone
Mycobacterium tuberculosis
23°C, pH not specified in the publication
0.00189
(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-(4-methylbenzyl)-methanone
Mycobacterium tuberculosis
23°C, pH not specified in the publication
0.00204
(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-benzyl-methanone
Mycobacterium tuberculosis
23°C, pH not specified in the publication
0.1
(5Z)-3-(3-chlorophenyl)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
IC50 above 0.1 mM
0.1
(5Z)-3-(3-chlorophenyl)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
IC50 above 0.1 mM
0.1
(5Z)-3-(3-fluorophenyl)-5-(furan-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
IC50 above 0.1 mM
0.1
(5Z)-3-(4-fluorophenyl)-5-[(3-hydroxyphenyl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
IC50 above 0.1 mM
0.1
(5Z)-3-(4-methoxyphenyl)-5-(phenylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
IC50 above 0.1 mM
0.1
(5Z)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
IC50 above 0.1 mM
0.1
(5Z)-3-(4-methoxyphenyl)-5-[[4-(1-methylethyl)phenyl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
IC50 above 0.1 mM
0.00016
(5Z)-3-[3-chloro-4-(2-methylprop-1-en-1-yl)phenyl]-5-[(5,6-dihydroxy-1,6-dihydropyridazin-3-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
predicted value, pH not specified in the publication, temperature not specified in the publication
0.05
(5Z)-3-[4-(diethylamino)phenyl]-5-[(4-methoxyphenyl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
-
0.05
(5Z)-5-(anthracen-9-ylmethylidene)-3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
insoluble above 0.05 mM
0.025
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
-
0.000035
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
-
0.1
(5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
IC50 above 0.1 mM
0.01
(5Z)-5-[(3-hydroxy-5-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
-
0.1
(5Z)-5-[(3-hydroxyphenyl)methylidene]-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
IC50 above 0.1 mM
0.03
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
-
0.09858
(5Z)-5-[(4-methoxynaphthalen-1-yl)methylidene]-3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
insoluble above 0.05 mM
0.00014
(5Z)-5-[(5,6-dihydroxy-1,6-dihydropyridazin-3-yl)methylidene]-2-thioxo-3-(3,4,5-trimethylcyclohex-1-en-1-yl)-1,3-thiazolidin-4-one
Plasmodium falciparum
-
predicted value, pH not specified in the publication, temperature not specified in the publication
0.00017
(5Z)-5-[(5,6-dihydroxy-1,6-dihydropyridazin-3-yl)methylidene]-3-(7-ethenyl-2,3-dihydro-1H-inden-5-yl)-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
predicted value, pH not specified in the publication, temperature not specified in the publication
0.1
(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
IC50 above 0.1 mM
0.025
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
-
0.1
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
IC50 above 0.1 mM
0.00087
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
-
0.006
(5Z)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
-
0.035
(5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
-
0.00098
(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
-
0.1
(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
IC50 above 0.1 mM
0.0061
(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
-
0.0285
(5Z)-5-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
-
0.0017
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
-
0.03025
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
-
0.1
(E)-1-benzyl-2-methyl-3-[2-(pyridin-3-yl)vinyl]-4-pyridone
Escherichia coli
-
IC50: higher than 0.100 mM
0.0084
1,3-bis(2,6-dichlorobenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.0084 mM
0.02
1,3-dibenzyl-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.020 mM
0.0007
1-(2,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazole
Francisella tularensis
pH not specified in the publication, temperature not specified in the publication
0.05
1-(2-(4-(1H-pyrrol-1-yl)phenoxy)acetyl)-4-methylenetetrahydropyridazine-3,6-dione
Mycobacterium tuberculosis
at pH 6.8 and 25°C
-
0.0156
1-(2-bromobenzyl)-3-phenylthiourea
Mycobacterium tuberculosis
pH and temperature not specified in the publication
-
0.0177
1-(2-chlorobenzyl)-3-(4-nitrophenyl)thiourea
Mycobacterium tuberculosis
pH and temperature not specified in the publication
-
0.0015
1-(2-chlorobenzyl)-4-(naphthalen-1-ylmethoxy)pyridin-2(1H)-one
Bacillus anthracis
-
-
0.0011
1-(2-chlorobenzyl)-4-(naphthalen-2-ylmethoxy)pyridin-2(1H)-one
Bacillus anthracis
-
-
0.0021
1-(2-chlorobenzyl)-4-hexylpyridin-2(1H)-one
Yersinia pestis
pH 6.8, 25°C
0.028
1-(2-chlorobenzyl)-4-[3-(1H-imidazol-1-yl)propoxy]pyridin-2(1H)-one
Bacillus anthracis
-
-
0.0008
1-(2-chlorobenzyl)-4-[3-(1H-indol-1-yl)propoxy]pyridin-2(1H)-one
Bacillus anthracis
-
-
0.0003
1-(3,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazole
Francisella tularensis
pH not specified in the publication, temperature not specified in the publication
0.0015
1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1H)-one
Yersinia pestis
pH 6.8, 25°C
0.00034 - 0.0033
1-(3-chlorobenzyl)-3-(2,6-dichlorobenzyl)-2-methylpyridin-4(1H)-one
0.01387
1-(3-chlorocyclohexyl)-4-[(2-fluorophenyl)carbonyl]piperazine
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00605
1-(3-chlorocyclohexyl)-4-[(3,4-dichlorophenyl)carbonyl]piperazine
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00099
1-(3-chlorocyclohexyl)-4-[(3,4-dimethylphenyl)carbonyl]piperazine
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00673
1-(3-chlorocyclohexyl)-4-[(3-chlorophenyl)carbonyl]piperazine
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00943
1-(3-chlorocyclohexyl)-4-[(3-methylphenyl)carbonyl]piperazine
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00974
1-(3-chlorocyclohexyl)-4-[(4-fluorophenyl)carbonyl]piperazine
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00307
1-(3-chlorocyclohexyl)-4-[(4-methylphenyl)carbonyl]piperazine
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.0008
1-(4-amino-2-chlorobenzyl)-4-(benzyloxy)pyridin-2(1H)-one
Bacillus anthracis
-
-
0.00029
1-(4-aminobenzyl)-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.00029 mM
0.0003
1-(4-chlorobenzyl)-5,6-dimethyl-1H-benzimidazole
Francisella tularensis
pH not specified in the publication, temperature not specified in the publication
0.001
1-(4-methyl-1,3-thiazol-2-yl)-1-(5-[[6-(morpholin-4-yl)pyridin-2-yl]amino]-1,3,4-thiadiazol-2-yl)ethan-1-ol
Mycobacterium tuberculosis
-
IC 50 above 0.001 mM, at 37°C, pH not specified in the publication
0.000299
1-(4-methyl-1,3-thiazol-2-yl)-1-(5-[[6-(piperidin-1-yl)pyridin-2-yl]amino]-1,3,4-thiadiazol-2-yl)ethan-1-ol
Mycobacterium tuberculosis
-
at 37°C, pH not specified in the publication
0.000018
1-(4-methyl-1,3-thiazol-2-yl)-1-(5-[[6-(trifluoromethyl)pyridin-2-yl]amino]-1,3,4-thiadiazol-2-yl)ethan-1-ol
Mycobacterium tuberculosis
-
at 37°C, pH not specified in the publication
0.001
1-(4-methyl-1,3-thiazol-2-yl)-1-[5-[(1-methyl-1H-1,2,3-triazol-4-yl)amino]-1,3,4-thiadiazol-2-yl]ethan-1-ol
Mycobacterium tuberculosis
-
IC 50 above 0.001 mM, at 37°C, pH not specified in the publication
0.000386
1-(4-methyl-1,3-thiazol-2-yl)-1-[5-[(pyridin-2-yl)amino]-1,3,4-thiadiazol-2-yl]ethan-1-ol
Mycobacterium tuberculosis
-
at 37°C, pH not specified in the publication
0.001
1-(4-methyl-1,3-thiazol-2-yl)-1-[5-[(pyrimidin-2-yl)amino]-1,3,4-thiadiazol-2-yl]ethan-1-ol
Mycobacterium tuberculosis
-
IC 50 above 0.001 mM, at 37°C, pH not specified in the publication
0.000046
1-(5-[[5-bromo-6-(trifluoromethyl)pyridin-2-yl]amino]-1,3,4-thiadiazol-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
Mycobacterium tuberculosis
-
at 37°C, pH not specified in the publication
0.00009
1-(9H-fluoren-9-yl)-4-(phenylcarbonyl)piperazine
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.0004
1-(9H-fluoren-9-yl)-4-[(4-methylphenyl)carbonyl]piperazine
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.0315
1-(cyclohexylmethyl)-4-(phenylcarbonyl)piperazine
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.0045
1-benzyl-2-butyl-3-(2,6-dichlorobenzyl)-4-pyridone
Escherichia coli
-
IC50: 0.0045 mM
0.0015
1-benzyl-2-methyl-3-(2,4,6-trichlorobenzyl)-4-pyridone
Escherichia coli
-
IC50: 0.0015 mM
0.0029
1-benzyl-2-methyl-3-phenyl-4-pyridone
Escherichia coli
-
IC50: 0.0029 mM
0.1
1-benzyl-2-methyl-3-vinyl-4-pyridone
Escherichia coli
-
IC50: higher than 0.100 mM
0.1
1-benzyl-2-methyl-3-[2-(pyridin-3-yl)ethyl]-4-pyridone
Escherichia coli
-
IC50: higher than 0.100 mM
0.002
1-benzyl-3-(2,4-dichlorobenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.0020 mM
0.00078
1-benzyl-3-(2,6-dichlorobenzyl)-2-ethyl-4-pyridone
Escherichia coli
-
IC50: 0.00078 mM
0.0003
1-benzyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.00030 mM
0.0027
1-benzyl-3-(2,6-difluorobenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.0027 mM
0.0043
1-benzyl-3-(2,6-dimethylbenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.0043 mM
0.00039
1-benzyl-3-(2-chloro-6-fluorobenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.00039 mM
0.0042
1-benzyl-3-(2-chlorobenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.0042 mM
0.061
1-benzyl-3-butyl-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.061 mM
0.0068
1-benzyl-4-(benzyloxy)pyridin-2(1H)-one
Bacillus anthracis
-
-
0.042
1-benzyl-4-decylpyridin-2(1H)-one
Yersinia pestis
wild type enzyme, at pH 8.0 and 30°C
0.1
1-benzyl-4-hydroxypyridin-2(1H)-one
0.1
1-benzyl-4-[3-(9H-carbazol-9-yl)propoxy]pyridin-2(1H)-one
0.000845
1-bicyclo[2.2.1]hept-2-yl-N-biphenyl-3-yl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.00031
1-butyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.00031 mM
0.00125
1-butyl-5-(2,4-dichlorophenoxy)-2-(phenoxymethyl)pyridin-4(1H)-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.001
1-butyl-5-(2,4-dimethylphenoxy)-2-(phenoxymethyl)pyridin-4(1H)-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00063
1-butyl-5-(4-chloro-2-methylphenoxy)-2-(phenoxymethyl)pyridin-4(1H)-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00036
1-cycloheptyl-N-(2'-hydroxy-1,1':3',1''-terphenyl-4'-yl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.0051
1-cyclohexyl-4-(2,3-dihydro-1H-indol-1-ylcarbonyl)pyrrolidin-2-one
Mycobacterium tuberculosis
-
0.03886
1-cyclohexyl-4-(phenylcarbonyl)piperazine
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00641
1-cyclohexyl-4-([4-[(4-fluorophenyl)(phenyl)methyl]piperazin-1-yl]carbonyl)pyrrolidin-2-one
Mycobacterium tuberculosis
-
0.00518
1-cyclohexyl-4-([4-[(4-methylphenyl)(phenyl)methyl]piperazin-1-yl]carbonyl)pyrrolidin-2-one
Mycobacterium tuberculosis
-
0.01762
1-cyclohexyl-4-[(3,4-dichlorophenyl)carbonyl]piperazine
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.01664
1-cyclohexyl-4-[(4-methylphenyl)carbonyl]piperazine
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.01066
1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.00351
1-cyclohexyl-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.05602
1-cyclohexyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.0565
1-cyclohexyl-N-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.01005
1-cyclohexyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.03137
1-cyclohexyl-N-(2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.00039
1-cyclohexyl-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.00149
1-cyclohexyl-N-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.00314
1-cyclohexyl-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.000062
1-cyclohexyl-N-(3,5-diphenyl-4-hydroxyl)phenyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
best inhibitor of the sreening with an IC50: 62 nanoM
0.01679
1-cyclohexyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.01059
1-cyclohexyl-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.0145
1-cyclohexyl-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.00257
1-cyclohexyl-N-(9-ethyl-9H-carbazol-2-yl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.00139
1-cyclohexyl-N-9H-fluoren-4-yl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.00014
1-cyclohexyl-N-[(2'-hydroxy-1,1':3',1''-terphenyl-5'-yl)methyl]-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.00555
1-cyclohexyl-N-[3-(1-methylethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.0013
1-cyclohexyl-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.00022
1-cyclohexylmethyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.00022 mM
0.00129
1-cyclooctyl-N-(2'-hydroxy-1,1':3',1''-terphenyl-4'-yl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.0015
1-cyclopropyl-5-(2,3-dichlorophenoxy)-2-(phenoxymethyl)pyridin-4(1H)-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00048
1-cyclopropyl-5-(2,4-dichlorophenoxy)-2-(phenoxymethyl)pyridin-4(1H)-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00317
1-cyclopropyl-5-(2,4-dimethylphenoxy)-2-(phenoxymethyl)pyridin-4(1H)-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00643
1-cyclopropyl-5-(2,6-dichlorophenoxy)-2-(phenoxymethyl)pyridin-4(1H)-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00022
1-decyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.00022 mM
0.055
1-[(2-chlorophenyl)methyl]-4-decylpyridin-2(1H)-one
Yersinia pestis
wild type enzyme, at pH 8.0 and 30°C
0.00032
1-[(2H-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole
Francisella tularensis subsp. tularensis
pH and temperature not specified in the publication
0.0003
1-[(3,4-dichlorophenyl)methyl]-5,6-dimethyl-1H-benzimidazole
Francisella tularensis subsp. tularensis
pH and temperature not specified in the publication
0.00136
1-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole
Francisella tularensis subsp. tularensis
pH and temperature not specified in the publication
0.00185
1-[(3,4-dimethylphenyl)carbonyl]-4-[3-(trifluoromethyl)cyclohexyl]piperazine
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.1
1-[(3-amino-2-methylphenyl)methyl]-4-decylpyridin-2(1H)-one
Yersinia pestis
IC50 above 0.1 mM, wild type enzyme, at pH 8.0 and 30°C
0.00774
1-[(3-chlorophenyl)carbonyl]-4-(cyclohexylmethyl)piperidine
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.01547
1-[(3-methylphenyl)carbonyl]-4-(4-nitrocyclohexyl)piperazine
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.000005
1-[(4-methoxy-3-methylphenyl)methyl]-1,5,6,7-tetrahydroindeno[5,6-d]imidazole
Francisella tularensis subsp. tularensis
pH and temperature not specified in the publication
0.00014
1-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole
Francisella tularensis subsp. tularensis
pH and temperature not specified in the publication
0.00626
1-[(4-methylphenyl)carbonyl]-4-[3-(trifluoromethyl)cyclohexyl]piperazine
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.000018
1-[1-(3,4-dichlorophenyl)ethyl]-1,5,6,7-tetrahydroindeno[5,6-d]imidazole
Francisella tularensis subsp. tularensis
pH and temperature not specified in the publication
0.000014
1-[1-(3,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole
Francisella tularensis subsp. tularensis
pH and temperature not specified in the publication
0.0037
1-[1-(3,4-dichlorophenyl)ethyl]-5,6-dimethyl-1H-benzimidazole
Francisella tularensis subsp. tularensis
pH and temperature not specified in the publication
0.00089
1-[1-(3,4-dichlorophenyl)ethyl]-5,7-dihydro-1H-furo[3,4-f]benzimidazole
Francisella tularensis subsp. tularensis
pH and temperature not specified in the publication
0.00024
1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-1,5,6,7-tetrahydroindeno[5,6-d]imidazole
Francisella tularensis subsp. tularensis
pH and temperature not specified in the publication
0.00017
1-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]-2-phenylethane-1,2-dione
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.000057
1-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]propane-1,2-dione
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0008
1-[4-(2-hydroxy-4-propylphenoxy)phenyl]ethanone
Bacillus anthracis
A0A348A0U3
-
0.001
1-[5-(3-bromo-4-fluoroanilino)-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
Mycobacterium tuberculosis
-
IC 50 above 0.001 mM, at 37°C, pH not specified in the publication
0.000894
1-[5-[(1-methyl-1H-pyrazol-3-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
Mycobacterium tuberculosis
-
at 37°C, pH not specified in the publication
0.001
1-[5-[(1-methyl-1H-pyrazol-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
Mycobacterium tuberculosis
-
IC 50 above 0.001 mM, at 37°C, pH not specified in the publication
0.000741
1-[5-[(2-methoxypyridin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
Mycobacterium tuberculosis
-
at 37°C, pH not specified in the publication
0.001
1-[5-[(2-methylpyridin-3-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
Mycobacterium tuberculosis
-
IC 50 above 0.001 mM, at 37°C, pH not specified in the publication
0.000179
1-[5-[(5-bromo-6-methylpyridin-2-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
Mycobacterium tuberculosis
-
at 37°C, pH not specified in the publication
0.000197
1-[5-[(5-bromopyridin-2-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
Mycobacterium tuberculosis
-
at 37°C, pH not specified in the publication
0.000363
1-[5-[(5-fluoropyridin-2-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
Mycobacterium tuberculosis
-
at 37°C, pH not specified in the publication
0.001
1-[5-[(5-methylpyridin-3-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
Mycobacterium tuberculosis
-
IC 50 above 0.001 mM, at 37°C, pH not specified in the publication
0.000013
1-[5-[(6-bromopyridin-2-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
Mycobacterium tuberculosis
-
at 37°C, pH not specified in the publication
0.000077
1-[5-[(6-cyclopropylpyridin-2-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
Mycobacterium tuberculosis
-
at 37°C, pH not specified in the publication
0.000551
1-[5-[(6-fluoropyridin-2-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
Mycobacterium tuberculosis
-
at 37°C, pH not specified in the publication
0.000264
1-[5-[(6-methoxypyridin-2-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
Mycobacterium tuberculosis
-
at 37°C, pH not specified in the publication
0.00026
1-[5-[(6-methylpyridin-2-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
Mycobacterium tuberculosis
-
at 37°C, pH not specified in the publication
0.001
1-[5-[(6-methylpyridin-3-yl)amino]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
Mycobacterium tuberculosis
-
IC 50 above 0.001 mM, at 37°C, pH not specified in the publication
0.00034
1-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-1-yl]ethanone
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00204
1-[bis(4-fluorophenyl)methyl]-4-(phenylcarbonyl)piperazine
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00189
1-[bis(4-fluorophenyl)methyl]-4-[(4-methylphenyl)carbonyl]piperazine
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.0047
2,13-dioxapentacyclo[18.2.2.23,6.29,12.214,17]triaconta-1(22),3,5,9,11,14,16,20,23,25,27,29-dodecaene-4,15-diol
Mycobacterium tuberculosis
at pH 6.8 and 25°C
-
0.00011
2-(2'-amino-4'-chloro-phenoxy)-5-chloro-phenol
Plasmodium falciparum
-
pH 7.5, 25°C
0.00012
2-(2,4-dichlorophenoxy)-5-(2-ethylbutyl)phenol
Plasmodium falciparum
-
-
0.00013 - 0.00029
2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol
0.000096 - 0.00018
2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol
0.000051 - 0.000076
2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol
0.1
2-(2,4-dichlorophenoxy)-5-(2H-tetrazol-5-yl)phenol
Plasmodium falciparum
-
-
0.000063 - 0.00012
2-(2,4-dichlorophenoxy)-5-(3-methylbutyl)phenol
0.000021 - 0.00044
2-(2,4-dichlorophenoxy)-5-(3-phenylpropyl)phenol
0.00005 - 0.00044
2-(2,4-dichlorophenoxy)-5-(4-phenylbutyl)phenol
0.00064
2-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phenol
Plasmodium falciparum
-
-
0.00084
2-(2,4-dichlorophenoxy)-5-(pyridin-3-ylmethyl)phenol
Plasmodium falciparum
-
-
0.00011 - 0.00012
2-(2,4-dichlorophenoxy)-5-ethylphenol
0.0002 - 0.0008
2-(2,4-dichlorophenoxy)-5-methylphenol
0.000091 - 0.00021
2-(2,4-dichlorophenoxy)-5-propylphenol
0.033
2-(2,4-dichlorophenoxy)-5-pyridin-3-ylphenol
Plasmodium falciparum
-
-
0.00044 - 0.0013
2-(2,4-dichlorophenoxy)-5-[(2-methylphenyl)methyl]phenol
0.00023 - 0.00087
2-(2,4-dichlorophenoxy)-5-[(3-methylphenyl)methyl]phenol
0.000038 - 0.01
2-(2,4-dichlorophenoxy)-5-[(4-fluorophenyl)methyl]phenol
0.000029 - 0.00064
2-(2,4-dichlorophenoxy)-5-[(pyridin-2-yl)methyl]phenol
0.000042 - 0.00084
2-(2,4-dichlorophenoxy)-5-[(pyridin-3-yl)methyl]phenol
0.0036
2-(2,4-dinitrophenoxy)-5-propylphenol
Bacillus anthracis
A0A348A0U3
-
0.00011
2-(2-amino-4-chlorophenoxy)-5-chlorophenol
Plasmodium falciparum
pH not specified in the publication, temperature not specified in the publication
0.007
2-(2-aminophenoxy)-5-chlorophenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.002
2-(2-aminophenoxy)-5-decylphenol
Yersinia pestis
wild type enzyme, at pH 8.0 and 30°C
0.00004
2-(2-chloro-4-fluorophenyl)-N-(4-((3,5-dimethyl-1H-pyrazol-1-yl)-methyl)phenyl)acetamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.0005
2-(2-chloro-4-nitrophenoxy)-5-propylphenol
Bacillus anthracis
A0A348A0U3
-
0.004
2-(2-chlorophenoxy)-5-decylphenol
Yersinia pestis
wild type enzyme, at pH 8.0 and 30°C
0.00616
2-(2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(6-nitrobenzo[d]thiazol-2-yl)acetamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00601
2-(2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(thiophen-2-ylmethyl)acetamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00892
2-(2-methyl-4-oxoquinazolin-3(4H)-yl)-N-phenylacetamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.0033
2-(2-[(benzylamino)methyl]-4-chlorophenoxy)-5-chlorophenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.000046
2-(3-hydroxy-5-methylphenoxy)-5-methoxy-3-methyl phenol
Arabidopsis thaliana
-
in 10 mM sodium phosphate, pH 7.2, at 25°C
0.0203
2-(3-hydroxymethyl-phenoxy)-5-propylphenol
Bacillus anthracis
A0A348A0U3
-
0.008
2-(3-nitrophenoxy)-5-propylphenol
Bacillus anthracis
A0A348A0U3
larger than 0.008 mM
0.0126
2-(4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl)-5,6,7,8-tetrabromo-2,3-dihydrophthalazine-1,4-dione
Mycobacterium tuberculosis
at pH 6.8 and 25°C
-
0.0311
2-(4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl)-5,6,7,8-tetrachloro-2,3-dihydrophthalazine-1,4-dione
Mycobacterium tuberculosis
at pH 6.8 and 25°C
-
0.00036
2-(4-amino-2-chlorophenoxy)-5-chlorophenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0071
2-(4-aminophenoxy)-5-chlorophenol
Bacillus anthracis
A0A348A0U3
-
0.003
2-(4-aminophenoxy)-5-decylphenol
Yersinia pestis
wild type enzyme, at pH 8.0 and 30°C
0.0088
2-(4-aminophenoxy)-5-propylphenol
Bacillus anthracis
A0A348A0U3
-
0.001
2-(4-chlorophenoxy)-5-(1H-1,2,3-triazol-1-yl)phenol
Mycobacterium tuberculosis
pH and temperature not specified in the publication
-
0.004
2-(4-chlorophenoxy)-5-cyclohexylphenol, 2-(4-chlorophenoxy)-5-hexylphenol
Mycobacterium tuberculosis
pH and temperature not specified in the publication
-
0.001
2-(4-chlorophenoxy)-5-[4-(1H-1,2,3-triazol-1-yl)butyl]phenol
Mycobacterium tuberculosis
pH and temperature not specified in the publication
-
0.0036
2-(4-methanesulfinylphenoxy)-5-propylphenol
Bacillus anthracis
A0A348A0U3
-
0.0022
2-(4-methanesulfonylphenoxy)-5-propylphenol
Bacillus anthracis
A0A348A0U3
-
0.0006
2-(4-methylsulfanylphenoxy)-5-propylphenol
Bacillus anthracis
A0A348A0U3
-
0.0011
2-(4-nitrophenoxy)-5-propylphenol
Bacillus anthracis
A0A348A0U3
-
0.000055
2-(4-[[(2,3-dihydro-1-benzofuran-6-ylmethyl)amino]methyl]-2-hydroxyphenoxy)-5-methylbenzonitrile
Plasmodium falciparum
-
predicted IC50
0.06
2-(5-chlorothiophen-2-yl)-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]quinoline-4-carboxamide
Plasmodium falciparum
-
-
0.00716
2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00452
2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(furan-2-ylmethyl)acetamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00676
2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(thiophen-2-ylmethyl)acetamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00312
2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-phenylacetamide
0.00452
2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-[(furan-2-yl)methyl]acetamide
Mycobacterium tuberculosis
pH and temperature not specified in the publication
-
0.00456
2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00312
2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-(furan-2-ylmethyl)acetamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00712
2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-(thiophen-2-ylmethyl)acetamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00778
2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-phenylacetamide
0.00456
2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Mycobacterium tuberculosis
pH and temperature not specified in the publication
-
0.0005
2-(biphenyl-3-yloxy)-5-propylphenol
Bacillus anthracis
A0A348A0U3
-
0.00625
2-(biphenyl-4-yloxy)-5-chlorophenol
Bacillus anthracis
A0A348A0U3
larger than 0.00625 mM
0.1
2-(dimethylamino)ethyl 3-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate
Plasmodium falciparum
-
IC50 above 0.1 mM
0.1
2-(dimethylamino)ethyl 6-[(5Z)-4-oxo-5-(phenylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
Plasmodium falciparum
-
IC50 above 0.1 mM
0.0023
2-(ethanesulfonyl)-6-[2-[(E)-(hydroxyimino)methyl]-4-(trifluoromethyl)phenoxy]-2,3,1-benzodiazaborinin-1(2H)-ol
Mycobacterium tuberculosis
pH 6.8, 23°C
0.00003
2-(ethanesulfonyl)-7-[2-[(Z)-(hydroxyimino)methyl]-4-(trifluoromethyl)phenoxy]-2,3,1-benzodiazaborinin-1(2H)-ol
Mycobacterium tuberculosis
pH 6.8, 23°C
0.0000053 - 0.0000503
2-(o-tolyloxy)-5-hexylphenol
0.0003
2-decyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1H)-one
Yersinia pestis
wild type enzyme, at pH 8.0 and 30°C
0.05
2-decyl-1-methyl-5-(4-nitrophenoxy)pyridin-4(1H)-one
Yersinia pestis
IC50 above 0.05 mM, wild type enzyme, at pH 8.0 and 30°C
0.0000013 - 0.0008
2-phenoxy-5-propylphenol
0.002
2-phenoxy-5-tetradecylphenol
Yersinia pestis
wild type enzyme, at pH 8.0 and 30°C
0.018
2-[(2-fluorophenyl)methyl]-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
Mycobacterium tuberculosis
-
at pH 7.0 and 25°C
0.05
2-[(3-chlorophenyl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
Plasmodium falciparum
-
-
0.01
2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol
Plasmodium falciparum
-
above 0.010 mM, experimental value of newly synthesized compound based on in silico prediction
0.01
2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol
Plasmodium falciparum
-
above 0.010 mM, experimental value of newly synthesized compound based on in silico prediction
0.000037
2-[2-(dimethylamino)-4-sulfanylphenoxy]-5-[[(2-phenylethyl)amino]methyl]phenol
Plasmodium falciparum
-
predicted IC50
0.01
2-[2-[(benzylamino)methyl]phenoxy]-5-chlorophenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.006
2-[3-(2-hydroxy-ethyl)phenoxy]-5-propylphenol
Bacillus anthracis
A0A348A0U3
-
0.00016
2-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]-2-oxoacetamide
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.003
2-[4-(benzylamino)-2-chlorophenoxy]-5-chlorophenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.01
3,7-dihydroxy-flavone
Plasmodium falciparum
-
IC50: 10 microM
0.0237
3-(2,4-dichlorophenoxy)-6-methoxypyridin-2(1H)-one
Bacillus anthracis
-
-
0.011
3-(2,6-dichlorobenzyl)-1,2-dimethyl-4-pyridone
Escherichia coli
-
IC50: 0.011 mM
0.0018
3-(2,6-dichlorobenzyl)-1-(4-nitrobenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.0018 mM
0.0018
3-(2,6-dichlorobenzyl)-1-(5-hydroxypentyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.0018 mM
0.00047
3-(2,6-dichlorobenzyl)-1-furfuryl-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.00047 mM
0.0018
3-(2,6-dichlorobenzyl)-2-methyl-1-(2-methyl-2-[[3-(trifluoromethyl)benzyl]sulfanyl]propyl)pyridin-4(1H)-one
Escherichia coli
-
wild type enzyme, in 0.1 M sodium N-(2-acetamido)-iminodiacetic acid (pH 6.5)
0.00035 - 0.038
3-(2,6-dichlorobenzyl)-2-methyl-1-(thiophen-2-ylmethyl)pyridin-4(1H)-one
0.12
3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.120 mM
0.05
3-(2-benzylidenehydrazinyl)-N-(2-(trifluoromethyl)phenyl)-1,2,4-thiadiazol-5-amine
Mycobacterium tuberculosis
-
at pH 6.8 and 25°C
-
0.0188
3-(2-chlorophenoxy)-6-methoxypyridin-2(1H)-one
Bacillus anthracis
-
-
0.002
3-(2-hydroxy-4-propylphenoxy)benzoic acid methylester
Bacillus anthracis
A0A348A0U3
-
0.0098
3-(4-methoxyphenyl)-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propanamide
Mycobacterium tuberculosis
-
at pH 7.0 and 25°C
0.0007
3-benzyl-6-(benzyloxy)pyridin-2(1H)-one
Bacillus anthracis
-
-
0.000115
3-bromo-N-(4-fluorobenzyl)-1-benzothiophene-2-carboxamide
Plasmodium falciparum
-
pH not specified in the publication, temperature not specified in the publication
0.000463
3-bromo-N-[4-(trifluoromethyl)benzyl]-1-benzothiophene-2-carboxamide
Plasmodium falciparum
-
pH not specified in the publication, temperature not specified in the publication
0.0011
3-chloro-4-(2-hydroxy-4-propylphenoxy)benzamide
Bacillus anthracis
A0A348A0U3
-
0.0008
3-chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile
Bacillus anthracis
A0A348A0U3
larger than 0.008 mM
0.0007
3-chloro-4-(2-hydroxy-4-pyridin-2-ylphenoxy)benzonitrile
Plasmodium falciparum
-
-
0.0028
3-chloro-4-(2-hydroxy-4-pyridin-4-ylphenoxy)benzonitrile
Plasmodium falciparum
-
-
0.0012
3-chloro-4-(4-chloro-2-hydroxyphenoxy)-N-hydroxybenzamide
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00038
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzaldehyde
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00012
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzamide
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00055 - 0.00056
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzoic acid
0.00012
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzonitrile
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00041
3-chloro-4-[(3-hydroxy-2'-methylbiphenyl-4-yl)oxy]benzonitrile
Plasmodium falciparum
-
-
0.00053
3-chloro-4-[2-hydroxy-4-(pyridin-4-ylmethyl)phenoxy]benzonitrile
Plasmodium falciparum
-
-
0.00041 - 0.01
3-chloro-4-[2-hydroxy-4-[(2-methylphenyl)methyl]phenoxy]benzonitrile
0.000075 - 0.00053
3-chloro-4-[2-hydroxy-4-[(pyridin-4-yl)methyl]phenoxy]benzonitrile
0.0004
3-cyclohexylmethyl-1-benzyl-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.00040 mM
0.00028 - 0.07708
3-formyl-2-phenoxy phenol
0.1 - 0.79627
3-hydroxy-4-phenoxy benzoic acid
0.08524 - 0.1
3-hydroxy-4-phenoxy benzyl alcohol
0.00028
3-hydroxy-4-phenoxybenzaldehyde
Plasmodium falciparum
pH not specified in the publication, temperature not specified in the publication
0.00625
3-[3-(2-hydroxy-4-propylphenoxy)phenyl]acrylic acid methylester
Bacillus anthracis
A0A348A0U3
larger than 0.00625 mM
0.0075
3-[3-(2-hydroxy-4-propylphenoxy)phenyl]propionic acid methylester
Bacillus anthracis
A0A348A0U3
-
0.02
3-[5-[(Z)-[4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
Plasmodium falciparum
-
-
0.00038 - 0.02084
4-(2',4'-dichlorophenoxy)-3-hydroxybenzaldehyde
0.00056 - 0.16072
4-(2',4'-dichlorophenoxy)-3-hydroxybenzoic acid
0.0008 - 0.04004
4-(2',4'-dichlorophenoxy)-3-hydroxybenzyl alcohol
0.0007 - 0.02549
4-(2',4'-dichlorophenoxy)-3-hydroxybenzylchloride
0.03471 - 0.1
4-(2',4'-dinitrophenoxy)-3-hydroxybenzaldehyde
0.08457 - 0.1
4-(2',4'-dinitrophenoxy)-3-hydroxybenzoic acid
0.00044
4-(2,4-dichlorophenoxy)-2'-methylbiphenyl-3-ol
Plasmodium falciparum
-
-
0.00023
4-(2,4-dichlorophenoxy)-3'-methylbiphenyl-3-ol
Plasmodium falciparum
-
-
0.00038
4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde
Plasmodium falciparum
pH not specified in the publication, temperature not specified in the publication
0.021
4-(2,4-dichlorophenoxy)-3-hydroxybenzamide
Plasmodium falciparum
-
-
0.1
4-(2,4-dichlorophenoxy)-3-hydroxybenzoic acid
Plasmodium falciparum
-
-
0.000049
4-(2,4-dichlorophenoxy)-3-hydroxybenzonitrile
Plasmodium falciparum
-
-
0.000038
4-(2,4-dichlorophenoxy)-4'-fluorobiphenyl-3-ol
Plasmodium falciparum
-
-
0.00019
4-(2,4-dichlorophenoxy)-4'-methylbiphenyl-3-ol
Plasmodium falciparum
-
-
0.00014
4-(2,4-dichlorophenoxy)biphenyl-3-ol
Plasmodium falciparum
-
-
0.012
4-(4-chloro-2-hydroxyphenoxy)-1-(4-methylphenylsulphonamido)benzene
Bacillus anthracis
A0A348A0U3
larger than 0.012 mM
0.004
4-(4-chlorophenoxy)-3-hydroxybenzonitrile
Mycobacterium tuberculosis
pH and temperature not specified in the publication
-
0.008
4-(4-chlorophenoxy)[1,1'-biphenyl]-3-ol
Mycobacterium tuberculosis
pH and temperature not specified in the publication
-
0.083
4-(7-chloroquinolin-4-yl)-2-[(diethylamino)methyl]phenol
Mycobacterium tuberculosis
-
at pH 7.0 and 25°C
0.0037
4-(benzyloxy)-1-(2-chloro-4-nitrobenzyl)pyridin-2(1H)-one
Bacillus anthracis
-
-
0.0015
4-(benzyloxy)-1-(2-chlorobenzyl)pyridin-2(1H)-one
Bacillus anthracis
-
-
0.01411
4-(cyclohexylmethyl)-1-[(2-fluorophenyl)carbonyl]piperidine
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00739
4-(cyclohexylmethyl)-1-[(3-methylphenyl)carbonyl]piperidine
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00516
4-(cyclohexylmethyl)-1-[(4-methylphenyl)carbonyl]piperidine
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00447
4-([4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl]carbonyl)-1-cyclohexylpyrrolidin-2-one
Mycobacterium tuberculosis
-
0.00551
4-([4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]carbonyl)-1-cyclohexylpyrrolidin-2-one
Mycobacterium tuberculosis
-
0.0027
4-([[1-(2-chlorobenzyl)-2-oxo-1,2-dihydropyridin-4-yl]oxy]methyl)benzonitrile
Bacillus anthracis
-
-
0.01
4-chloro-1-(4-chloro-2-methoxyphenoxy)-2-nitrobenzene
Plasmodium falciparum
-
pH 7.5, 25°C
0.056
4-decyl-1-[(2-methylphenyl)methyl]pyridin-2(1H)-one
Yersinia pestis
wild type enzyme, at pH 8.0 and 30°C
0.021
4-decyl-1-[(4-nitrophenyl)methyl]pyridin-2(1H)-one
Yersinia pestis
wild type enzyme, at pH 8.0 and 30°C
0.1
4-hydroxy-1-(4-hydroxybenzyl)pyridin-2(1H)-one
0.1
4-hydroxy-1-(4-methoxybenzyl)pyridin-2(1H)-one
0.004
4-methylthiazole
Mycobacterium tuberculosis
-
at 37°C, pH not specified in the publication
0.027
4-phenoxybenzamide adenine dinucleotide
Mycobacterium tuberculosis
-
0.0063
4-phenoxybenzene-1,3-diol
Bacillus anthracis
A0A348A0U3
-
0.01
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol
Plasmodium falciparum
-
above 0.010 mM, experimental value of newly synthesized compound based on in silico prediction
0.01
4-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol
Plasmodium falciparum
-
above 0.010 mM, experimental value of newly synthesized compound based on in silico prediction
0.0125
4-[(Z)-[3-(4-methoxyphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde
Plasmodium falciparum
-
-
0.0016
4-[3-(1H-benzotriazol-1-yl)propoxy]-1-(2-chlorobenzyl)pyridin-2(1H)-one
Bacillus anthracis
-
-
0.0025
4-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]methylbenzamide
Escherichia coli
-
IC50: 0.0025 mM
0.022
4-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]methylbenzoic acid
Escherichia coli
-
IC50: 0.022 mM
0.006
4-[3-(9H-carbazol-9-yl)propoxy]-1-(2-chlorobenzyl)pyridin-2(1H)-one
0.003
4-[3-(9H-carbazol-9-yl)propoxy]-1-(4-methoxybenzyl)pyridin-2(1H)-one
0.00005
4-[4-[(benzylamino)methyl]-2-hydroxyphenoxy]-3-chlorobenzonitrile
Plasmodium falciparum
-
predicted IC50
0.0224
4-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)phenyl]amino-4-oxobutanoic acid
Plasmodium falciparum
-
pH 7.5, 25°C
0.0242
4-[5-chloro-2-(4-chloro-2-methoxyphenoxy)phenyl]amino-4-oxobutanoic acid
Plasmodium falciparum
-
pH 7.5, 25°C
0.079
4-[[1-hydroxy-2-(methanesulfonyl)-1,2-dihydro-2,3,1-benzodiazaborinin-7-yl]oxy]benzonitrile
Mycobacterium tuberculosis
pH 6.8, 23°C
0.0036
4-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]-3-chlorobenzamide
Bacillus anthracis
-
-
0.023 - 0.0238
4-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]-3-chlorobenzoic acid
0.007
4-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]-3-chlorobenzonitrile
Bacillus anthracis
-
-
0.00022
5-(2,3-dichlorophenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4(1H)-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00125
5-(2,3-dichlorophenoxy)-2-(phenoxymethyl)-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00084
5-(2,3-dichlorophenoxy)-2-(phenoxymethyl)pyridin-4(1H)-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00568
5-(2,3-dichlorophenoxy)-2-[(E)-2-(furan-3-yl)ethenyl]-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00344
5-(2,3-dichlorophenoxy)-2-[(E)-2-(pyridin-3-yl)ethenyl]-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00673
5-(2,3-dichlorophenoxy)-2-[(E)-2-phenylethenyl]-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00012
5-(2,4-dichlorophenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4(1H)-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00142
5-(2,4-dichlorophenoxy)-2-(phenoxymethyl)-1-phenylpyridin-4(1H)-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00068
5-(2,4-dichlorophenoxy)-2-(phenoxymethyl)-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00182
5-(2,4-dichlorophenoxy)-2-(phenoxymethyl)pyridin-4(1H)-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00189
5-(2,4-dichlorophenoxy)-2-[(E)-2-(furan-3-yl)ethenyl]-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00204
5-(2,4-dichlorophenoxy)-2-[(E)-2-(pyridin-3-yl)ethenyl]-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00453
5-(2,4-dichlorophenoxy)-2-[(E)-2-phenylethenyl]-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00008
5-(2,4-dimethylphenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4(1H)-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00269
5-(2,4-dimethylphenoxy)-2-(phenoxymethyl)-1-phenylpyridin-4(1H)-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00038
5-(2,4-dimethylphenoxy)-2-(phenoxymethyl)-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00114
5-(2,4-dimethylphenoxy)-2-(phenoxymethyl)pyridin-4(1H)-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00229
5-(2,4-dimethylphenoxy)-2-[(E)-2-(furan-3-yl)ethenyl]-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00348
5-(2,4-dimethylphenoxy)-2-[(E)-2-(pyridin-3-yl)ethenyl]-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00533
5-(2,4-dimethylphenoxy)-2-[(E)-2-phenylethenyl]-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00072
5-(2,6-dichlorophenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4(1H)-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00142
5-(2,6-dichlorophenoxy)-2-(phenoxymethyl)-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00498
5-(2,6-dichlorophenoxy)-2-(phenoxymethyl)pyridin-4(1H)-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00412
5-(2,6-dichlorophenoxy)-2-[(E)-2-(furan-3-yl)ethenyl]-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00374
5-(2,6-dichlorophenoxy)-2-[(E)-2-(pyridin-3-yl)ethenyl]-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00479
5-(2,6-dichlorophenoxy)-2-[(E)-2-phenylethenyl]-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.01764
5-(2-chloro-3-nitrophenoxy)-1-cyclopropyl-2-(phenoxymethyl)pyridin-4(1H)-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00066
5-(2-chloro-3-nitrophenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4(1H)-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.01173
5-(2-chloro-3-nitrophenoxy)-2-(phenoxymethyl)pyridin-4(1H)-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.1
5-(2-chlorophenoxy)-2-methoxypyridine 1-oxide
0.00352
5-(2-methyl-3-nitrophenoxy)-2-(phenoxymethyl)-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.03
5-(4-amino-2-methylphenoxy)-2-decyl-1-methylpyridin-4(1H)-one
Yersinia pestis
wild type enzyme, at pH 8.0 and 30°C
0.0002
5-(4-aminophenoxy)-2-decyl-1-methylpyridin-4(1H)-one
Yersinia pestis
wild type enzyme, at pH 8.0 and 30°C
0.000058
5-(4-chloro-2-hydroxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide
Toxoplasma gondii
-
pH and temperature not specified in the publication
0.00047
5-(4-chloro-2-methylphenoxy)-1-cyclopropyl-2-(phenoxymethyl)pyridin-4(1H)-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00011
5-(4-chloro-2-methylphenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4(1H)-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00065
5-(4-chloro-2-methylphenoxy)-2-(phenoxymethyl)-1-phenylpyridin-4(1H)-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00045
5-(4-chloro-2-methylphenoxy)-2-(phenoxymethyl)-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.0004
5-(4-chloro-2-methylphenoxy)-2-(phenoxymethyl)pyridin-4(1H)-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00578
5-(4-chloro-2-methylphenoxy)-2-[(1E)-3-methylbut-1-en-1-yl]-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00644
5-(4-chloro-2-methylphenoxy)-2-[(1E)-pent-1-en-1-yl]-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00582
5-(4-chloro-2-methylphenoxy)-2-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00389
5-(4-chloro-2-methylphenoxy)-2-[(E)-2-(furan-2-yl)ethenyl]-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00245
5-(4-chloro-2-methylphenoxy)-2-[(E)-2-(furan-3-yl)ethenyl]-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00294
5-(4-chloro-2-methylphenoxy)-2-[(E)-2-(pyridin-3-yl)ethenyl]-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00457
5-(4-chloro-2-methylphenoxy)-2-[(E)-2-(thiophen-2-yl)ethenyl]-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00312
5-(4-chloro-2-methylphenoxy)-2-[(E)-2-(thiophen-3-yl)ethenyl]-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00488
5-(4-chloro-2-methylphenoxy)-2-[(E)-2-phenylethenyl]-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.0052
5-(4-chlorophenoxy)-2-(methoxymethyl)-4H-pyran-4-one
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.00011 - 0.00053
5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol
0.00104
5-([4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]carbonyl)-1H-indole
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.000013
5-([[2-(4-chlorophenyl)ethyl]amino]methyl)-2-[2-(dimethylamino)-4-ethylphenoxy]phenol
Plasmodium falciparum
-
predicted IC50
0.000014
5-([[2-(4-chlorophenyl)ethyl]amino]methyl)-2-[2-ethyl-4-(sulfanylmethyl)phenoxy]phenol
Plasmodium falciparum
-
predicted IC50
0.000071
5-benzyl-2-(2,4-dichlorophenoxy)phenol
Plasmodium falciparum
-
-
0.000055 - 0.00048
5-butyl-2-(2,4-dichlorophenoxy)phenol
0.0002
5-butyl-2-phenoxyphenol
Yersinia pestis
wild type enzyme, at pH 8.0 and 30°C
0.089
5-chloro-2-(2,4-dichlorophenoxy)-phenol
Arabidopsis thaliana
-
in 10 mM sodium phosphate, pH 7.2, at 25°C
0.000073 - 0.0011
5-chloro-2-(2,4-dichlorophenoxy)phenol
0.0214
5-chloro-2-(2,4-dichlorophenoxy)pyridine 1-oxide
Bacillus anthracis
-
-
0.00022
5-chloro-2-(2-chloro-4-hydroxyphenoxy)phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0002
5-chloro-2-(2-chloro-4-morpholin-4-ylphenoxy)phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00018 - 0.0003
5-chloro-2-(2-chloro-4-nitrophenoxy)phenol
0.00068
5-chloro-2-(2-chloro-4-piperidin-1-ylphenoxy)phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00081
5-chloro-2-(2-chloro-4-pyrrolidin-1-ylphenoxy)phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0077
5-chloro-2-(2-nitrophenoxy)phenol
Bacillus anthracis
A0A348A0U3
-
0.0025
5-chloro-2-(2-[[(2-phenylethyl)amino]methyl]phenoxy)phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.035
5-chloro-2-(2-[[(4-chlorobenzyl)amino]methyl]phenoxy)phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.000229
5-chloro-2-(4'-chloro-2'-nitro-phenoxy)-phenol
Plasmodium falciparum
-
pH 7.5, 25°C
0.015
5-chloro-2-(4-chloro-2-methoxyphenoxy)aniline
Plasmodium falciparum
-
pH 7.5, 25°C
0.027
5-chloro-2-(4-chloro-2-[1-[(4-chlorobenzyl)(methyl)amino]-1-methylethyl]phenoxy)phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0072
5-chloro-2-(4-chloro-2-[1-[(4-chlorobenzyl)amino]-1-methylethyl]phenoxy)phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.009
5-chloro-2-(4-chloro-2-[[(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]methyl]phenoxy)phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.022
5-chloro-2-(4-chloro-2-[[(4-chlorobenzyl)(methyl)amino]methyl]phenoxy)phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0005
5-chloro-2-phenoxyphenol
Bacillus anthracis
A0A348A0U3
-
0.000965
5-chloro-2-[(5-[[4-(prop-1-en-2-yl)piperazin-1-yl]methyl]thiophen-2-yl)oxy]phenol
Toxoplasma gondii
-
pH and temperature not specified in the publication
0.000041
5-chloro-2-[(naphthalen-2-yl)oxy]phenol
Toxoplasma gondii
-
pH and temperature not specified in the publication
0.000135
5-chloro-2-[(quinolin-6-yl)oxy]phenol
Toxoplasma gondii
-
pH and temperature not specified in the publication
0.000413
5-chloro-2-[2-chloro-4-(1H-tetrazol-5-yl)phenoxy]phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0007
5-chloro-2-[2-chloro-4-(chloromethyl)phenoxy]phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00046
5-chloro-2-[2-chloro-4-(dimethylamino)phenoxy]phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0008
5-chloro-2-[2-chloro-4-(hydroxymethyl)phenoxy]phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00031
5-chloro-2-[2-chloro-4-(methylamino)phenoxy]phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00025
5-chloro-2-[2-chloro-4-(morpholin-4-ylcarbonyl)phenoxy]phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00059
5-chloro-2-[2-chloro-4-(naphthalen-1-ylsulfonyl)phenoxy]phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00003
5-chloro-2-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
Toxoplasma gondii
-
pH and temperature not specified in the publication
0.00014
5-chloro-2-[2-chloro-4-[(trifluoromethyl)sulfonyl]phenoxy]phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.011
5-chloro-2-[2-[(naphthalen-1-ylamino)methyl]phenoxy]phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.046
5-chloro-2-[2-[(naphthalen-2-ylamino)methyl]phenoxy]phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.000225
5-chloro-2-[4-(4-methylpiperazin-1-yl)phenoxy]phenol
Toxoplasma gondii
-
pH and temperature not specified in the publication
0.02
5-chloro-2-[4-chloro-2-(prop-1-en-2-ylamino)phenoxy]phenol
Plasmodium falciparum
-
pH 7.5, 25°C
0.0061
5-chloro-2-[4-chloro-2-[(4-phenylpiperazin-1-yl)methyl]phenoxy]phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.019
5-chloro-2-[4-chloro-2-[(dimethylamino)methyl]phenoxy]phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.027
5-chloro-2-[4-chloro-2-[(methylamino)methyl]phenoxy]phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.000022
5-cyclohexyl-2-[2-(methylamino)-4-propylphenoxy]phenol
Plasmodium falciparum
-
predicted IC50
0.0001
5-decyl-2-(2-fluorophenoxy)phenol
Yersinia pestis
wild type enzyme, at pH 8.0 and 30°C
0.003
5-decyl-2-(2-methylphenoxy)phenol
Yersinia pestis
wild type enzyme, at pH 8.0 and 30°C
0.001
5-decyl-2-(2-nitrophenoxy)phenol
Yersinia pestis
wild type enzyme, at pH 8.0 and 30°C
0.0002
5-decyl-2-(4-nitrophenoxy)phenol
Yersinia pestis
wild type enzyme, at pH 8.0 and 30°C
0.003
5-decyl-2-phenoxyphenol
Yersinia pestis
wild type enzyme, at pH 8.0 and 30°C
0.00000051 - 0.02
5-ethyl-2-phenoxyphenol
0.01
5-methyl-N-[(1E)-(3-nitrophenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine
Plasmodium falciparum
-
above 0.010 mM, experimental value of newly synthesized compound based on in silico prediction
0.05
5-nitro-2-phenoxyphenol
Bacillus anthracis
A0A348A0U3
larger than 0.050 mM
0.001
5-octyl-2-phenoxyphenol
Yersinia pestis
wild type enzyme, at pH 8.0 and 30°C
0.0000018
5-pentyl-2-phenoxyphenol
Burkholderia pseudomallei
pH 6.8, 25°C
0.00124
5-propyl-2-(3-trifluoromethylphenoxy)phenol
Bacillus anthracis
A0A348A0U3
-
0.000042
5-[(benzylamino)methyl]-2-[2-(dimethylamino)-4-ethylphenoxy]phenol
Plasmodium falciparum
-
predicted IC50
0.012
5-[2-[(E)-(hydroxyimino)methyl]phenoxy]-2,1-benzoxaborol-1(3H)-ol
Mycobacterium tuberculosis
pH 6.8, 23°C
0.11
5-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]pentanoic acid
Escherichia coli
-
IC50: 0.110 mM
0.026
5-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)phenyl]amino-5-oxopentanoic acid
Plasmodium falciparum
-
pH 7.5, 25°C
0.0286
5-[5-chloro-2-(4-chloro-2-methoxyphenoxy)phenyl]amino-5-oxopentanoic acid
Plasmodium falciparum
-
pH 7.5, 25°C
0.00003
5-[[(2,3-dihydro-1-benzofuran-6-ylmethyl)amino]methyl]-2-[2-methyl-4-(methylamino)phenoxy]phenol
Plasmodium falciparum
-
predicted IC50
0.00017
5-[[4-(2,4,7-trichloro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00012
5-[[4-(2,7-dibromo-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00013
5-[[4-(2,7-diiodo-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00052
5-[[4-(2-methoxy-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00013
5-[[4-(2-nitro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00013
5-[[4-(3-nitro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00052
5-[[4-(4-methoxy-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00016
5-[[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.0007
6-(benzyloxy)-3-phenoxypyridin-2(1H)-one
Bacillus anthracis
-
-
0.001
6-([5-[1-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]amino)pyridin-2-ol
Mycobacterium tuberculosis
-
IC 50 above 0.001 mM, at 37°C, pH not specified in the publication
0.00038
6-butyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.00038 mM
0.00029
6-cyclohexylmethyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.00029 mM
0.0065
6-[(5Z)-5-([4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl]methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
Plasmodium falciparum
-
-
0.045
6-[(5Z)-5-[(3-methoxy-4-propoxyphenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
Plasmodium falciparum
-
-
0.1
6-[(5Z)-5-[[3-methoxy-4-(pentyloxy)phenyl]methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
Plasmodium falciparum
-
IC50 above 0.1 mM
0.1
6-[(5Z)-5-[[4-(1-methylethyl)phenyl]methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
Plasmodium falciparum
-
IC50 above 0.1 mM
0.1
6-[(5Z)-5-[[4-(benzyloxy)-3-methylphenyl]methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
Plasmodium falciparum
-
IC50 above 0.1 mM
0.007
6-[(5Z)-5-[[4-(hexyloxy)-3-methoxyphenyl]methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
Plasmodium falciparum
-
-
0.044
6-[4-(trifluoromethyl)phenoxy]-2,1-benzoxaborol-1(3H)-ol
Mycobacterium tuberculosis
pH 6.8, 23°C
0.0293
6-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)phenyl]amino-6-oxohexanoic acid
Plasmodium falciparum
-
pH 7.5, 25°C
0.0303
6-[5-chloro-2-(4-chloro-2-methoxyphenoxy)phenyl]amino-6-oxohexanoic acid
Plasmodium falciparum
-
pH 7.5, 25°C
0.0004
7-[2-[(Z)-(hydroxyimino)methyl]-4-(trifluoromethyl)phenoxy]-2-(methanesulfonyl)-2,3,1-benzodiazaborinin-1(2H)-ol
Mycobacterium tuberculosis
pH 6.8, 23°C
0.00091
9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-N,N-dimethyl-9H-fluoren-2-amine
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.05
apigenin
Plasmodium falciparum
-
IC50: 50 microM
0.0092
aquastatin A
Streptococcus pneumoniae
-
FabK, pH 6.5, 30°C
0.0000017
artesunate
Plasmodium falciparum
-
control
0.0000087
Chloroquine
Plasmodium falciparum
-
control
0.0052
cis-cannabigerol
Mycobacterium tuberculosis
at pH 6.8 and 25°C
-
0.0106
degalactosylated aquastatin A
Streptococcus pneumoniae
-
FabI, pH 6.5, 30°C
0.0174
epigallocatechin gallate
Mycobacterium tuberculosis
-
in 30 mM PIPES buffer, 150 mM NaCl, 10% glycerol (pH 8.0)
0.1
ethyl 5-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]isoxazole-3-carboxylate
0.001
fisetin
Plasmodium falciparum
-
IC50: 1 microM
0.005
isorhamnetin
Plasmodium falciparum
-
IC50: 5 microM
0.02
kaempferol
Plasmodium falciparum
-
IC50: 20 microM
0.002
luteolin
Plasmodium falciparum
-
IC50: 2 microM
0.03488
methyl 2-[[(1-cyclohexyl-5-oxopyrrolidin-3-yl)carbonyl]amino]benzoate
Mycobacterium tuberculosis
-
0.0003
methyl 4-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]methylbenzoate
Escherichia coli
-
IC50: 0.00030 mM
0.1
methyl 6-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
Plasmodium falciparum
-
IC50 above 0.1 mM
0.1
methyl 6-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
Plasmodium falciparum
-
IC50 above 0.1 mM
0.1
methyl 6-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
Plasmodium falciparum
-
IC50 above 0.1 mM
0.005
morin
Plasmodium falciparum
-
IC50: 5 microM
0.0004
myricetin
Plasmodium falciparum
-
IC50: 0.4 microM
0.02 - 0.087
N'-[(Z)-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylidene]-2,8-dimethylquinoline-4-carbohydrazide
0.00009
N-((4-bromo-1-ethyl-1H-pyrazol-5-yl)methyl)-4-((3,5-dimethyl-1Hpyrazol-1-yl)methyl)benzamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00054
N-(2-bromobenzyl)-4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.0005
N-(2-chloro-4-fluorobenzyl)-4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00006
N-(2-chloro-4-fluorobenzyl)-4-((4-methylthiazol-2-yl)methyl)-benzamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00008
N-(2-chloro-5-(2-phenylacetamido)benzyl)-4-((3,5-dimethyl-1Hpyrazol-1-yl)methyl)benzamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00009
N-(2-chloro-5-(3-phenylureido)benzyl)-4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00906
N-(2-chloro-5-(trifluoromethyl)phenyl)-2-(2-methyl-4-oxoquinazolin-3(4H)-yl)acetamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00816
N-(2-chloro-5-(trifluoromethyl)phenyl)-2-(4-oxoquinazolin-3(4H)-yl)acetamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00035
N-(2-chloro-5-aminobenzyl)-4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00126
N-(2-chlorobenzyl)-4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00251
N-(2-nitrobenzyl)-4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.001
N-(2-trifluorobenzyl)-4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-benzamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00041
N-(3-benzylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.00158
N-(3-bromobenzyl)-4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.01355
N-(3-bromophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.00089
N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.02923
N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.02312
N-(3-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.01483
N-(3-chloro-4-fluorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.00158
N-(3-chlorobenzyl)-4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00135
N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.00394
N-(3-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.00251
N-(3-methanesulfonybenzyl)-4-((3,5-dimethyl-1H-pyrazol-1-yl)-methyl)benzamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00158
N-(3-propan-2-yloxybenzyl)-4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.07358
N-(4-acetylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.03741
N-(4-bromo-3-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.02802
N-(4-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.052
N-(4-chlorobenzyl)-2-[(4-chlorobenzyl)sulfanyl]quinazolin-4-amine
Plasmodium falciparum
-
-
0.028
N-(4-chlorobenzyl)-N-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzyl]acetamide
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0031
N-(4-fluorobenzyl)-4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.05
N-(4-methoxyphenyl)-3-(2-(4-methylbenzylidene)hydrazinyl)-1,2,4-thiadiazol-5-amine
Mycobacterium tuberculosis
-
at pH 6.8 and 25°C
-
0.024
N-(4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl)thiophene-2-carboxamide
Mycobacterium tuberculosis
-
at pH 7.0 and 25°C
0.0018
N-(4-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]-3-chlorophenyl)acetamide
Bacillus anthracis
-
-
0.0016
N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.06
N-(5-chloro-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide
Plasmodium falciparum
-
-
0.00097
N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.00512
N-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3(4H)-yl)acetamide
Mycobacterium tuberculosis
pH and temperature not specified in the publication
-
0.00512
N-(6-nitrobenzo[d]thiazol-2-yl)-2-(4-oxoquinazolin-3(4H)-yl)acetamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00046
N-(anthracen-9-ylmethyl)-1-bicyclo[2.2.1]hept-2-yl-N-methyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.00062
N-(anthracen-9-ylmethyl)-1-cycloheptyl-N-methyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.00075
N-(anthracen-9-ylmethyl)-1-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.00032
N-(anthracen-9-ylmethyl)-1-cyclooctyl-N-methyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.00836
N-(benzo[d]thiazol-2-yl)-2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00593
N-(benzyl)-4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00686
N-(furan-2-ylmethyl)-2-(2-methyl-4-oxoquinazolin-3(4H)-yl)acetamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00039
N-biphenyl-3-yl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.019
N-phenyl-N'-[5-(4-propoxyphenyl)-1,3,4-thiadiazol-2-yl]urea
Mycobacterium tuberculosis
-
at pH 7.0 and 25°C
0.01
N-[(1E)-(2-chlorophenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine
Plasmodium falciparum
-
above 0.010 mM, experimental value of newly synthesized compound based on in silico prediction
0.01
N-[(1E)-(2-chlorophenyl)methylidene]-5-methyl-4-phenyl-1,3-thiazol-2-amine
Plasmodium falciparum
-
above 0.010 mM, experimental value of newly synthesized compound based on in silico prediction
0.0046
N-[(1E)-(3,4-dimethoxyphenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine
Plasmodium falciparum
-
experimental value of newly synthesized compound based on in silico prediction
0.01
N-[(1E)-(3,4-dimethoxyphenyl)methylidene]-5-methyl-4-phenyl-1,3-thiazol-2-amine
Plasmodium falciparum
-
above 0.010 mM, experimental value of newly synthesized compound based on in silico prediction
0.007
N-[(1E)-(3-nitrophenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine
Plasmodium falciparum
-
experimental value of newly synthesized compound based on in silico prediction
0.00009 - 0.00325
N-[(2-chloro-4-fluorophenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
0.0005
N-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-methyl-1H-pyrazol-1-yl)methyl]benzamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.0034
N-[(2-chloro-4-fluorophenyl)methyl]-4-[(6-methylpyridin-2-yl)-oxy]benzamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00005
N-[(2-chloro-4-fluorophenyl)methyl]-4-[(6-methylpyridin-2-yl)methyl]benzamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00006
N-[(2-chloro-4-fluorophenyl)methyl]-4-[(6-methylpyridin-2-yl)sulfanyl]benzamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.0014
N-[(2-chloro-4-fluorophenyl)methyl]-4-[(dimethyl-1,3-thiazol-2-yl)methyl]benzamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00032
N-[(2-chloro-4-fluorophenyl)methyl]-4-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]benzamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00012 - 0.00025
N-[(4-fluorophenyl)methyl]-4-[[2-methyl-5-(2,2,2-trifluoroethyl)furan-3-yl]methyl]benzamide
0.00367
N-[3,5-bis(trifluoromethyl)phenyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.00085
N-[3-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.00339
N-[4-(benzyloxy)phenyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
0.018
N-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzyl]benzamide
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.015
N-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzyl]benzenesulfonamide
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0122
N-[5-chloro-2-(4-chloro-2-methoxyphenoxy)phenyl]acetamide
Plasmodium falciparum
-
pH 7.5, 25°C
0.00059
N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]benzamide
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00046
N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]butanamide
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00018
N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]formamide
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.0039 - 0.0118
panosialin A
0.0052 - 0.0085
panosialin B
0.0052 - 0.0096
panosialin wA
0.0055 - 0.0091
panosialin wB
0.01005
pyrrolidine carboxamide
Mycobacterium tuberculosis
IC50: 10.05 microM, chosen as a lead structure for further structure optimization
0.0015
quercetin
Plasmodium falciparum
-
IC50: 1.5 microM
0.00000157 - 0.071
triclosan
0.00019
[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]acetonitrile
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00009
[4-(9H-fluoren-9-yl) piperazin-1-yl]-benzyl-methanone
Mycobacterium tuberculosis
23°C, pH not specified in the publication
0.0002
[4-(9H-fluoren-9-yl)piperazin-1-yl](1H-indol-5-yl)methanone
Mycobacterium tuberculosis
23°C, pH not specified in the publication
0.1
[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]acetonitrile
0.00004
[4-[4-([[2-(4-chlorophenyl)ethyl]amino]methyl)-2-hydroxyphenoxy]-3-(methylamino)phenyl]methanaminium
Plasmodium falciparum
-
predicted IC50
0.00028
[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]carbamic acid
Mycobacterium tuberculosis
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
additional information
2-(3-dimethylaminophenoxy)-5-propylphenol
0.00034
1-(3-chlorobenzyl)-3-(2,6-dichlorobenzyl)-2-methylpyridin-4(1H)-one
Staphylococcus aureus
-
in 0.1 M sodium N-(2-acetamido)-iminodiacetic acid (pH 6.5)
0.00034
1-(3-chlorobenzyl)-3-(2,6-dichlorobenzyl)-2-methylpyridin-4(1H)-one
Escherichia coli
-
wild type enzyme, in 0.1 M sodium N-(2-acetamido)-iminodiacetic acid (pH 6.5)
0.0033
1-(3-chlorobenzyl)-3-(2,6-dichlorobenzyl)-2-methylpyridin-4(1H)-one
Escherichia coli
-
mutant enzyme G93V, in 0.1 M sodium N-(2-acetamido)-iminodiacetic acid (pH 6.5)
0.1
1-benzyl-4-hydroxypyridin-2(1H)-one
Bacillus anthracis
-
IC50 above 0.1 mM
0.1
1-benzyl-4-hydroxypyridin-2(1H)-one
Bacillus anthracis
-
larger than 0.1, inhibition is less than 30% at 0.1 mM
0.1
1-benzyl-4-[3-(9H-carbazol-9-yl)propoxy]pyridin-2(1H)-one
Bacillus anthracis
-
IC50 above 0.1 mM
0.1
1-benzyl-4-[3-(9H-carbazol-9-yl)propoxy]pyridin-2(1H)-one
Bacillus anthracis
-
larger than 0.1, inhibition is less than 30% at 0.1 mM
0.00013
2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.00029
2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol
Plasmodium falciparum
-
-
0.00029
2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol
Plasmodium falciparum
-
pH and temperature not specified in the publication
0.000096
2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.00018
2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol
Plasmodium falciparum
-
-
0.00018
2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol
Plasmodium falciparum
-
pH and temperature not specified in the publication
0.000051
2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.000071
2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol
Plasmodium falciparum
-
pH and temperature not specified in the publication
0.000076
2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol
Plasmodium falciparum
-
-
0.000063
2-(2,4-dichlorophenoxy)-5-(3-methylbutyl)phenol
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.00012
2-(2,4-dichlorophenoxy)-5-(3-methylbutyl)phenol
Plasmodium falciparum
-
pH and temperature not specified in the publication
0.000021
2-(2,4-dichlorophenoxy)-5-(3-phenylpropyl)phenol
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.000076
2-(2,4-dichlorophenoxy)-5-(3-phenylpropyl)phenol
Plasmodium falciparum
-
pH and temperature not specified in the publication
0.00044
2-(2,4-dichlorophenoxy)-5-(3-phenylpropyl)phenol
Plasmodium falciparum
-
-
0.00005
2-(2,4-dichlorophenoxy)-5-(4-phenylbutyl)phenol
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.00044
2-(2,4-dichlorophenoxy)-5-(4-phenylbutyl)phenol
Plasmodium falciparum
-
pH and temperature not specified in the publication
0.00011
2-(2,4-dichlorophenoxy)-5-ethylphenol
Plasmodium falciparum
-
-
0.00011
2-(2,4-dichlorophenoxy)-5-ethylphenol
Plasmodium falciparum
-
pH and temperature not specified in the publication
0.00012
2-(2,4-dichlorophenoxy)-5-ethylphenol
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.0002
2-(2,4-dichlorophenoxy)-5-methylphenol
Plasmodium falciparum
-
-
0.0002
2-(2,4-dichlorophenoxy)-5-methylphenol
Plasmodium falciparum
-
pH and temperature not specified in the publication
0.0008
2-(2,4-dichlorophenoxy)-5-methylphenol
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.000091
2-(2,4-dichlorophenoxy)-5-propylphenol
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.00021
2-(2,4-dichlorophenoxy)-5-propylphenol
Plasmodium falciparum
-
-
0.00021
2-(2,4-dichlorophenoxy)-5-propylphenol
Plasmodium falciparum
-
pH and temperature not specified in the publication
0.00044
2-(2,4-dichlorophenoxy)-5-[(2-methylphenyl)methyl]phenol
Plasmodium falciparum
-
pH and temperature not specified in the publication
0.0013
2-(2,4-dichlorophenoxy)-5-[(2-methylphenyl)methyl]phenol
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.00023
2-(2,4-dichlorophenoxy)-5-[(3-methylphenyl)methyl]phenol
Plasmodium falciparum
-
pH and temperature not specified in the publication
0.00087
2-(2,4-dichlorophenoxy)-5-[(3-methylphenyl)methyl]phenol
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.000038
2-(2,4-dichlorophenoxy)-5-[(4-fluorophenyl)methyl]phenol
Plasmodium falciparum
-
pH and temperature not specified in the publication
0.01
2-(2,4-dichlorophenoxy)-5-[(4-fluorophenyl)methyl]phenol
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.000029
2-(2,4-dichlorophenoxy)-5-[(pyridin-2-yl)methyl]phenol
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.00064
2-(2,4-dichlorophenoxy)-5-[(pyridin-2-yl)methyl]phenol
Plasmodium falciparum
-
pH and temperature not specified in the publication
0.000042
2-(2,4-dichlorophenoxy)-5-[(pyridin-3-yl)methyl]phenol
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.00084
2-(2,4-dichlorophenoxy)-5-[(pyridin-3-yl)methyl]phenol
Plasmodium falciparum
-
pH and temperature not specified in the publication
0.00312
2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-phenylacetamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00312
2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-phenylacetamide
Mycobacterium tuberculosis
pH and temperature not specified in the publication
0.00778
2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-phenylacetamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00778
2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-phenylacetamide
Mycobacterium tuberculosis
pH and temperature not specified in the publication
0.0000053
2-(o-tolyloxy)-5-hexylphenol
Mycobacterium tuberculosis
pH 6.8, temperature not specified in the publication
0.0000053
2-(o-tolyloxy)-5-hexylphenol
Mycobacterium tuberculosis
pH 6.8, 23°C, at 10 nM enzyme concentration
0.0000503
2-(o-tolyloxy)-5-hexylphenol
Mycobacterium tuberculosis
pH 6.8, 23°C, at 100 nM enzyme concentration
0.0000013
2-phenoxy-5-propylphenol
Burkholderia pseudomallei
pH 6.8, 25°C
0.0008
2-phenoxy-5-propylphenol
Bacillus anthracis
A0A348A0U3
larger than 0.0008 mM
0.00035
3-(2,6-dichlorobenzyl)-2-methyl-1-(thiophen-2-ylmethyl)pyridin-4(1H)-one
Staphylococcus aureus
-
in 0.1 M sodium N-(2-acetamido)-iminodiacetic acid (pH 6.5)
0.0004
3-(2,6-dichlorobenzyl)-2-methyl-1-(thiophen-2-ylmethyl)pyridin-4(1H)-one
Escherichia coli
-
wild type enzyme, in 0.1 M sodium N-(2-acetamido)-iminodiacetic acid (pH 6.5)
0.038
3-(2,6-dichlorobenzyl)-2-methyl-1-(thiophen-2-ylmethyl)pyridin-4(1H)-one
Escherichia coli
-
mutant enzyme G93V, in 0.1 M sodium N-(2-acetamido)-iminodiacetic acid (pH 6.5)
0.00055
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzoic acid
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00056
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzoic acid
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00041
3-chloro-4-[2-hydroxy-4-[(2-methylphenyl)methyl]phenoxy]benzonitrile
Plasmodium falciparum
-
pH and temperature not specified in the publication
0.01
3-chloro-4-[2-hydroxy-4-[(2-methylphenyl)methyl]phenoxy]benzonitrile
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.000075
3-chloro-4-[2-hydroxy-4-[(pyridin-4-yl)methyl]phenoxy]benzonitrile
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.00053
3-chloro-4-[2-hydroxy-4-[(pyridin-4-yl)methyl]phenoxy]benzonitrile
Plasmodium falciparum
-
pH and temperature not specified in the publication
0.00028
3-formyl-2-phenoxy phenol
Plasmodium falciparum
-
inhibitory activity with recombinant purified protein, inhibitory activity with recombinant purified protein, IC50: 0.00028 mM
0.0013
3-formyl-2-phenoxy phenol
Escherichia coli
inhibitory activity with recombinant purified protein, IC50: 0.00130 mM
0.002
3-formyl-2-phenoxy phenol
Escherichia coli
inhibitory activity with recombinant purified protein, inhibitory activity on cultures of Escherichia coli, IC50: 0.00200 mM
0.07708
3-formyl-2-phenoxy phenol
Plasmodium falciparum
-
inhibitory activity with recombinant purified protein, inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.07708 mM
0.1
3-hydroxy-4-phenoxy benzoic acid
Escherichia coli
inhibitory activity on cultures of Escherichia coli, IC50: higher than 0.100 mM
0.1
3-hydroxy-4-phenoxy benzoic acid
Plasmodium falciparum
-
inhibitory activity with recombinant purified protein, IC50: higher than 0.100 mM
0.1
3-hydroxy-4-phenoxy benzoic acid
Escherichia coli
inhibitory activity with recombinant purified protein, IC50: higher than 0.100 mM
0.79627
3-hydroxy-4-phenoxy benzoic acid
Plasmodium falciparum
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.79627 mM
0.08524
3-hydroxy-4-phenoxy benzyl alcohol
Plasmodium falciparum
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.08524 mM
0.1
3-hydroxy-4-phenoxy benzyl alcohol
Escherichia coli
inhibitory activity on cultures of Escherichia coli, IC50: higher than 0.100 mM
0.1
3-hydroxy-4-phenoxy benzyl alcohol
Plasmodium falciparum
-
inhibitory activity with recombinant purified protein, IC50: higher than 0.100 mM
0.1
3-hydroxy-4-phenoxy benzyl alcohol
Escherichia coli
inhibitory activity with recombinant purified protein, IC50: higher than 0.100 mM
0.00038
4-(2',4'-dichlorophenoxy)-3-hydroxybenzaldehyde
Plasmodium falciparum
-
inhibitory activity with recombinant purified protein, IC50: 0.00038 mM
0.00183
4-(2',4'-dichlorophenoxy)-3-hydroxybenzaldehyde
Escherichia coli
inhibitory activity with recombinant purified protein, IC50: 0.00183 mM
0.01434
4-(2',4'-dichlorophenoxy)-3-hydroxybenzaldehyde
Escherichia coli
inhibitory activity on cultures of Escherichia coli, IC50: 0.01434 mM
0.02084
4-(2',4'-dichlorophenoxy)-3-hydroxybenzaldehyde
Plasmodium falciparum
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.02084 mM
0.00056
4-(2',4'-dichlorophenoxy)-3-hydroxybenzoic acid
Plasmodium falciparum
-
inhibitory activity with recombinant purified protein, IC50: 0.00056 mM
0.00225
4-(2',4'-dichlorophenoxy)-3-hydroxybenzoic acid
Escherichia coli
inhibitory activity with recombinant purified protein, IC50: 0.00225 mM
0.01916
4-(2',4'-dichlorophenoxy)-3-hydroxybenzoic acid
Escherichia coli
inhibitory activity on cultures of Escherichia coli, IC50: 0.01916 mM
0.16072
4-(2',4'-dichlorophenoxy)-3-hydroxybenzoic acid
Plasmodium falciparum
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.16072 mM
0.0008
4-(2',4'-dichlorophenoxy)-3-hydroxybenzyl alcohol
Plasmodium falciparum
-
inhibitory activity with recombinant purified protein, IC50: 0.00080 mM
0.00383
4-(2',4'-dichlorophenoxy)-3-hydroxybenzyl alcohol
Escherichia coli
inhibitory activity with recombinant purified protein, IC50: 0.00383 mM
0.0148
4-(2',4'-dichlorophenoxy)-3-hydroxybenzyl alcohol
Plasmodium falciparum
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.01480 mM
0.04004
4-(2',4'-dichlorophenoxy)-3-hydroxybenzyl alcohol
Escherichia coli
inhibitory activity on cultures of Escherichia coli, IC50: 0.04004 mM
0.0007
4-(2',4'-dichlorophenoxy)-3-hydroxybenzylchloride
Plasmodium falciparum
-
inhibitory activity with recombinant purified protein, IC50: 0.00070 mM
0.0057
4-(2',4'-dichlorophenoxy)-3-hydroxybenzylchloride
Escherichia coli
inhibitory activity with recombinant purified protein, IC50: 0.00570 mM
0.01845
4-(2',4'-dichlorophenoxy)-3-hydroxybenzylchloride
Escherichia coli
inhibitory activity on cultures of Escherichia coli, IC50: 0.01845 mM
0.02549
4-(2',4'-dichlorophenoxy)-3-hydroxybenzylchloride
Plasmodium falciparum
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.02549 mM
0.03471
4-(2',4'-dinitrophenoxy)-3-hydroxybenzaldehyde
Plasmodium falciparum
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.03471 mM
0.07459
4-(2',4'-dinitrophenoxy)-3-hydroxybenzaldehyde
Plasmodium falciparum
-
inhibitory activity with recombinant purified protein, IC50: 0.07459 mM
0.1
4-(2',4'-dinitrophenoxy)-3-hydroxybenzaldehyde
Escherichia coli
inhibitory activity on cultures of Escherichia coli, IC50: higher than 0.100 mM
0.1
4-(2',4'-dinitrophenoxy)-3-hydroxybenzaldehyde
Escherichia coli
inhibitory activity with recombinant purified protein, IC50: higher than 0.100 mM
0.08457
4-(2',4'-dinitrophenoxy)-3-hydroxybenzoic acid
Plasmodium falciparum
-
inhibitory activity with recombinant purified protein, IC50: 0.08457 mM
0.1
4-(2',4'-dinitrophenoxy)-3-hydroxybenzoic acid
Escherichia coli
inhibitory activity with recombinant purified protein, IC50: higher than 0.100 mM
0.1
4-hydroxy-1-(4-hydroxybenzyl)pyridin-2(1H)-one
Bacillus anthracis
-
IC50 above 0.1 mM
0.1
4-hydroxy-1-(4-hydroxybenzyl)pyridin-2(1H)-one
Bacillus anthracis
-
larger than 0.1, inhibition is less than 30% at 0.1 mM
0.1
4-hydroxy-1-(4-methoxybenzyl)pyridin-2(1H)-one
Bacillus anthracis
-
IC50 above 0.1 mM
0.1
4-hydroxy-1-(4-methoxybenzyl)pyridin-2(1H)-one
Bacillus anthracis
-
larger than 0.1, inhibition is less than 30% at 0.1 mM
0.006
4-[3-(9H-carbazol-9-yl)propoxy]-1-(2-chlorobenzyl)pyridin-2(1H)-one
Bacillus anthracis
-
the inhibitor precipitates at concentrations above 0.006 mM
0.006
4-[3-(9H-carbazol-9-yl)propoxy]-1-(2-chlorobenzyl)pyridin-2(1H)-one
Bacillus anthracis
-
larger than 0.006, inhibitor precipitates at concentrations larger 0.006 mM
0.003
4-[3-(9H-carbazol-9-yl)propoxy]-1-(4-methoxybenzyl)pyridin-2(1H)-one
Bacillus anthracis
-
the inhibitor precipitates at concentrations above 0.003 mM
0.003
4-[3-(9H-carbazol-9-yl)propoxy]-1-(4-methoxybenzyl)pyridin-2(1H)-one
Bacillus anthracis
-
larger than 0.003, inhibitor precipitates at concentrations larger 0.003 mM
0.023
4-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]-3-chlorobenzoic acid
Bacillus anthracis
-
-
0.0238
4-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]-3-chlorobenzoic acid
Bacillus anthracis
-
-
0.1
5-(2-chlorophenoxy)-2-methoxypyridine 1-oxide
Bacillus anthracis
-
IC50 above 0.1 mM
0.1
5-(2-chlorophenoxy)-2-methoxypyridine 1-oxide
Bacillus anthracis
-
larger than 0.1, inhibition is less than 30% at 0.1 mM
0.00011
5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.00053
5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol
Plasmodium falciparum
-
-
0.00053
5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol
Plasmodium falciparum
-
pH and temperature not specified in the publication
0.000055
5-butyl-2-(2,4-dichlorophenoxy)phenol
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.00048
5-butyl-2-(2,4-dichlorophenoxy)phenol
Plasmodium falciparum
-
-
0.00048
5-butyl-2-(2,4-dichlorophenoxy)phenol
Plasmodium falciparum
-
pH and temperature not specified in the publication
0.000073
5-chloro-2-(2,4-dichlorophenoxy)phenol
Plasmodium falciparum
-
pH and temperature not specified in the publication
0.0002
5-chloro-2-(2,4-dichlorophenoxy)phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0011
5-chloro-2-(2,4-dichlorophenoxy)phenol
Mycobacterium tuberculosis
-
pH and temperature not specified in the publication
0.00018
5-chloro-2-(2-chloro-4-nitrophenoxy)phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0003
5-chloro-2-(2-chloro-4-nitrophenoxy)phenol
Bacillus anthracis
A0A348A0U3
-
0.00000051
5-ethyl-2-phenoxyphenol
Burkholderia pseudomallei
pH 6.8, 25°C
0.02
5-ethyl-2-phenoxyphenol
Yersinia pestis
wild type enzyme, at pH 8.0 and 30°C
0.1
ethyl 5-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]isoxazole-3-carboxylate
Bacillus anthracis
-
IC50 above 0.1 mM
0.1
ethyl 5-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]isoxazole-3-carboxylate
Bacillus anthracis
-
larger than 0.1, inhibition is less than 30% at 0.1 mM
0.02
N'-[(Z)-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylidene]-2,8-dimethylquinoline-4-carbohydrazide
Mycobacterium tuberculosis
-
at pH 7.0 and 25°C
0.087
N'-[(Z)-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylidene]-2,8-dimethylquinoline-4-carbohydrazide
Mycobacterium tuberculosis
-
at pH 7.0 and 25°C
0.00009
N-[(2-chloro-4-fluorophenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00025
N-[(2-chloro-4-fluorophenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00325
N-[(2-chloro-4-fluorophenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00012
N-[(4-fluorophenyl)methyl]-4-[[2-methyl-5-(2,2,2-trifluoroethyl)furan-3-yl]methyl]benzamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.00025
N-[(4-fluorophenyl)methyl]-4-[[2-methyl-5-(2,2,2-trifluoroethyl)furan-3-yl]methyl]benzamide
Mycobacterium tuberculosis
pH 6.8, 25°C
0.0039
panosialin A
Streptococcus pneumoniae
-
pH 6.5, temperature not specified in the publication
0.0118
panosialin A
Mycobacterium tuberculosis
-
pH 8.0, temperature not specified in the publication
0.0052
panosialin B
Streptococcus pneumoniae
-
pH 6.5, temperature not specified in the publication
0.0085
panosialin B
Mycobacterium tuberculosis
-
pH 8.0, temperature not specified in the publication
0.0052
panosialin wA
Streptococcus pneumoniae
-
pH 6.5, temperature not specified in the publication
0.0096
panosialin wA
Mycobacterium tuberculosis
-
pH 8.0, temperature not specified in the publication
0.0055
panosialin wB
Streptococcus pneumoniae
-
pH 6.5, temperature not specified in the publication
0.0091
panosialin wB
Mycobacterium tuberculosis
-
pH 8.0, temperature not specified in the publication
0.00000157
triclosan
Burkholderia pseudomallei
pH 6.8, 25°C
0.000015
triclosan
Toxoplasma gondii
-
pH and temperature not specified in the publication
0.000033
triclosan
Plasmodium falciparum
mutant A372V, pH not specified in the publication, temperature not specified in the publication
0.000035
triclosan
Plasmodium falciparum
mutant A372M, pH not specified in the publication, temperature not specified in the publication
0.00005
triclosan
Plasmodium falciparum
pH and temperature not specified in the publication
0.00006
triclosan
Eimeria tenella
-
-
0.000066
triclosan
Plasmodium falciparum
wild-type, pH not specified in the publication, temperature not specified in the publication
0.000066
triclosan
Plasmodium falciparum
mutant K316A, pH not specified in the publication, temperature not specified in the publication
0.000073
triclosan
Plasmodium falciparum
-
-
0.000073
triclosan
Plasmodium falciparum
-
pH 7.5, 25°C
0.000089
triclosan
Plasmodium falciparum
-
pH not specified in the publication, temperature not specified in the publication
0.0002
triclosan
Plasmodium falciparum
-
inhibitory activity with recombinant purified protein, IC50: 0.00020 mM
0.00044
triclosan
Staphylococcus aureus
-
at pH 6.5 and 30°C
0.0005
triclosan
Bacillus anthracis
-
-
0.00051
triclosan
Escherichia coli
-
IC50: 0.00051 mM
0.00051
triclosan
Escherichia coli
-
wild type enzyme, in 0.1 M sodium N-(2-acetamido)-iminodiacetic acid (pH 6.5)
0.0006
triclosan
Bacillus anthracis
A0A348A0U3
-
0.00075
triclosan
Escherichia coli
inhibitory activity on cultures of Escherichia coli, IC50: 0.00075 mM
0.0008
triclosan
Plasmodium falciparum
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.00080 mM
0.00145
triclosan
Eimeria tenella
recombinant enzyme, in 0.1 mM Tris-HCl buffer (pH 7.2)
0.00176
triclosan
Alistipes finegoldii
pH 8, 30°C
0.00201
triclosan
Escherichia coli
inhibitory activity with recombinant purified protein, IC50: 2.01 microM
0.0028
triclosan
Mycobacterium tuberculosis
-
in 30 mM PIPES buffer, 150 mM NaCl, 10% glycerol (pH 8.0)
0.0038
triclosan
Staphylococcus aureus
-
in 0.1 M sodium N-(2-acetamido)-iminodiacetic acid (pH 6.5)
0.0099
triclosan
Escherichia coli
-
mutant enzyme G93V, in 0.1 M sodium N-(2-acetamido)-iminodiacetic acid (pH 6.5)
0.0125
triclosan
Mycobacterium tuberculosis
IC50 below 0.0125 mM, pH and temperature not specified in the publication
0.016
triclosan
Bacillus subtilis
-
0.071
triclosan
Yersinia pestis
pH 6.8, 25°C
0.1
[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]acetonitrile
Bacillus anthracis
-
IC50 above 0.1 mM
0.1
[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]acetonitrile
Bacillus anthracis
-
larger than 0.1, inhibition is less than 30% at 0.1 mM
additional information
2-(3-dimethylaminophenoxy)-5-propylphenol
Bacillus anthracis
A0A348A0U3
12.6% inhibition at 1 microM
additional information
2-(3-dimethylaminophenoxy)-5-propylphenol
Bacillus anthracis
-
12.6% inhibition at 1 microM
additional information
2-[3-(2-hydroxy-4-chlorophenoxy)phenoxy]-5-chlorophenol
Bacillus anthracis
A0A348A0U3
9.9% inhibition at 1 microM
additional information
2-[3-(2-hydroxy-4-chlorophenoxy)phenoxy]-5-chlorophenol
Bacillus anthracis
-
9.9% inhibition at 1 microM
additional information
2-[3-(2-hydroxy-4-propylphenoxy)phenoxy]-5-propylphenol
Bacillus anthracis
A0A348A0U3
20.6% inhibition at 1 microM
additional information
2-[3-(2-hydroxy-4-propylphenoxy)phenoxy]-5-propylphenol
Bacillus anthracis
-
20.6% inhibition at 1 microM
additional information
2-[4-(1-hydroxyethyl)phenoxy]-5-propylphenol
Bacillus anthracis
A0A348A0U3
17.1% inhibition at 1 microM
additional information
2-[4-(1-hydroxyethyl)phenoxy]-5-propylphenol
Bacillus anthracis
-
17.1% inhibition at 1 microM
additional information
2-[4-(2-hydroxy-4-chlorophenoxy)phenoxy]-5-chlorophenol
Bacillus anthracis
A0A348A0U3
15.5% inhibition at 1 microM
additional information
2-[4-(2-hydroxy-4-chlorophenoxy)phenoxy]-5-chlorophenol
Bacillus anthracis
-
15.5% inhibition at 1 microM
additional information
2-[4-(2-hydroxy-4-propylphenoxy)phenoxy]-5-propylphenol
Bacillus anthracis
A0A348A0U3
10.0% inhibition at 1 microM
additional information
2-[4-(2-hydroxy-4-propylphenoxy)phenoxy]-5-propylphenol
Bacillus anthracis
-
10.0% inhibition at 1 microM
additional information
3-(2-hydroxy-4-propylphenoxy)benzoic acid
Bacillus anthracis
A0A348A0U3
9.2% inhibition at 1 microM
additional information
3-(2-hydroxy-4-propylphenoxy)benzoic acid
Bacillus anthracis
-
9.2% inhibition at 1 microM
additional information
3-(3-hydroxy-4-phenoxyphenyl)propane-1,2-diol
Bacillus anthracis
A0A348A0U3
9.8% inhibition at 1 microM
additional information
3-(3-hydroxy-4-phenoxyphenyl)propane-1,2-diol
Bacillus anthracis
-
9.8% inhibition at 1 microM
additional information
3-[3-(2-hydroxy-4-propylphenoxy)phenyl]propionic acid
Bacillus anthracis
A0A348A0U3
17.6% inhibition at 1 microM
additional information
3-[3-(2-hydroxy-4-propylphenoxy)phenyl]propionic acid
Bacillus anthracis
-
17.6% inhibition at 1 microM
additional information
3-[3-(2-hydroxy-4-propylphenoxy)phenyl]propionic acid
Bacillus anthracis
A0A348A0U3
17.9% inhibition at 1 microM
additional information
3-[3-(2-hydroxy-4-propylphenoxy)phenyl]propionic acid
Bacillus anthracis
-
17.9% inhibition at 1 microM
additional information
3-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]pyridine
Bacillus anthracis
A0A348A0U3
0.5% inhibition at 1 microM
additional information
3-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]pyridine
Bacillus anthracis
-
0.5% inhibition at 1 microM
additional information
5-(benzylaminomethyl)-2-phenoxyphenol
Bacillus anthracis
A0A348A0U3
7.9% inhibition at 1 microM
additional information
5-(benzylaminomethyl)-2-phenoxyphenol
Bacillus anthracis
-
7.9% inhibition at 1 microM
additional information
5-chloro-2-(4-hydroxyphenoxy)phenol
Bacillus anthracis
A0A348A0U3
2.6% inhibition at 1 microM
additional information
5-chloro-2-(4-hydroxyphenoxy)phenol
Bacillus anthracis
-
2.6% inhibition at 1 microM
additional information
5-chloro-2-(4-nitrophenoxy)phenol
Bacillus anthracis
A0A348A0U3
7.2% inhibition at 1 microM
additional information
5-chloro-2-(4-nitrophenoxy)phenol
Bacillus anthracis
-
7.2% inhibition at 1 microM
additional information
5-chloro-2-phenoxyaniline
Bacillus anthracis
A0A348A0U3
4.4% inhibition at 1 microM
additional information
5-chloro-2-phenoxyaniline
Bacillus anthracis
-
4.4% inhibition at 1 microM
additional information
5-chloro-2-phenoxyphenylmethanol
Bacillus anthracis
A0A348A0U3
1.8% inhibition at 1 microM
additional information
5-chloro-2-phenoxyphenylmethanol
Bacillus anthracis
-
1.8% inhibition at 1 microM
additional information
5-hydroxymethyl-2-phenoxyphenol
Bacillus anthracis
A0A348A0U3
5.0% inhibition at 1 microM
additional information
5-hydroxymethyl-2-phenoxyphenol
Bacillus anthracis
-
5.0% inhibition at 1 microM
additional information
N-[4-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide
Bacillus anthracis
A0A348A0U3
1.6% inhibition at 1 microM
additional information
N-[4-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide
Bacillus anthracis
-
1.6% inhibition at 1 microM
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