Please wait a moment until all data is loaded. This message will disappear when all data is loaded.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
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