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Catechol O-methyltransferase Inhibitors (IC50, Ki)

Structure
Compound Name
Standard Type
Standard Values (in nM)
2-(Biphenyl-3-Yl)-5-Hydroxy-3-Methylpyrimidin-4(3h)-OneIC50170.0 [1], 5000.0 [2]
5-(4-Methylbenzene-1-sulfonyl)quinolin-8-olIC5019.95 [1], 501.19 [2]
8-HydroxyquinolineIC501584.89 [1], 3162.28 [2]
TolcaponeIC501.0 [1], 127.0 [2]
1-(Biphenyl-3-Yl)-3-Hydroxypyridin-4(1h)-OneIC5047.0 [1], 1100.0 [2]
5-Hydroxy-2-[hydroxy(phenyl)methyl]-1-(3-phenylphenyl)pyridin-4-oneIC5088.0 [1], 1300.0 [2]
5-Hydroxy-2-(1-hydroxybutyl)-1-(3-phenylphenyl)pyridin-4-oneIC5057.0 [1], 1000.0 [2]
5-Hydroxy-2-(1-hydroxy-2-methylpropyl)-1-(3-phenylphenyl)pyridin-4-oneIC50180.0 [1], 1900.0 [2]
2-(2-Aminoethyl)-5-hydroxy-1-(3-phenylphenyl)pyridin-4-oneIC5013000.0 [1], 24000.0 [2]
5-Cyclopentylsulfonyl-7-fluoroquinolin-8-olIC502.0 [1], 2511.89 [2]
7-Fluoro-5-(4-fluorophenyl)sulfonylquinolin-8-olIC503.98 [1], 1584.89 [2]
7-Chloro-5-(4-fluorophenyl)sulfonylquinolin-8-olIC50199.53 [1], 10000.0 [2]
7-Chloro-5-pyrrolidin-1-ylsulfonylquinolin-8-olIC5010.0 [1], 3162.28 [2]
7-Chloro-5-cyclopentylsulfonylquinolin-8-olIC5019.95 [1], 7943.28 [2]
7-Fluoro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-olIC5079.43 [1], 6309.57 [2]
CID 122440031IC507.94 [1], 1995.26 [2]
5-Cyclopentylsulfonylquinolin-8-olIC506.31 [1], 501.19 [2]
7-Chloro-5-(4-methylphenyl)sulfonylquinolin-8-olIC50316.23 [1], 10000.0 [2]
5-Cyclopentylsulfonyl-7-(trifluoromethyl)quinolin-8-olIC5010000.0 [1]
5-Ethylsulfonylquinolin-8-olIC5050.12 [1], 1584.89 [2]
7-Fluoranyl-5-(4-methylphenyl)sulfonyl-quinolin-8-olIC506.31 [1], 501.19 [2]
5-[4-(Trifluoromethyl)phenyl]sulfonylquinolin-8-olIC5063.1 [1], 1258.93 [2]
7-Bromo-5-(4-methylphenyl)sulfonylquinolin-8-olIC501258.93 [1], 10000.0 [2]
7-Methyl-5-pyrrolidin-1-ylsulfonylquinolin-8-olIC5019.95 [1], 3162.28 [2]
7-Fluoro-5-pyrrolidin-1-ylsulfonylquinolin-8-olIC503.98 [1], 1584.89 [2]
5-(4-Methylphenyl)sulfonyl-7-(trifluoromethyl)quinolin-8-olIC5010000.0 [1]
5-(2-Benzylpyrrolidin-1-yl)sulfonylquinolin-8-olIC502.0 [1], 1995.26 [2]
3-Hydroxy-1-(2-phenylpyridin-4-yl)pyridin-4-oneIC50456.0 [1], 2325.0 [2]
3-Hydroxy-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridin-4-oneIC505000.0 [1]
3-Hydroxy-1-isoquinolin-1-ylpyridin-4-oneIC50962.0 [1], 1268.0 [2]
3-Hydroxy-1-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-4-oneIC501667.0 [1], 5000.0 [2]
5-Hydroxy-2-(1-hydroxyethyl)-1-(3-phenylphenyl)pyridin-4-oneIC5099.0 [1], 940.0 [2]
3-Hydroxy-1-(6-phenylpyridin-2-yl)pyridin-4-oneIC50128.0 [1], 2584.0 [2]
1-Biphenyl-3-yl-5-hydroxy-2-methylpyridin-4(1H)-oneIC5053.0 [1], 2100.0 [2]
1-(Biphenyl-3-yl)-5-hydroxy-2-phenylpyridin-4(1H)-oneIC5087.0 [1], 2500.0 [2]
3-Hydroxy-1-(4-phenylpyridin-2-yl)pyridin-4-oneIC5040.0 [1], 3020.0 [2]
3-Hydroxy-1-(2-phenylpyrimidin-4-yl)pyridin-4(1H)-oneIC50706.0 [1], 2054.0 [2]
5-Hydroxy-1-(3-phenylphenyl)-2-propan-2-ylpyridin-4-oneIC50410.0 [1], 1500.0 [2]
3-Hydroxy-1-(3-phenylpyridin-2-yl)pyridin-4-oneIC505000.0 [1]
1-(3-Fluoro-4-phenylpyridin-2-yl)-3-hydroxypyridin-4-oneIC5055.0 [1], 946.0 [2]
5'-Deoxy-5'-methylthioadenosineKi5400000.0 [1]
EntacaponeIC50386.0 [1]
8-Hydroxyquinoline-5-sulfonic acidIC506309.57 [1]
OpicaponeKi10.0 [1]
Hydroxy methylphenylpyridinoneIC5018000.0 [1]
2,4-Dimethyl-5-(1H-Pyrazol-3-Yl)-1,3-ThiazoleKi7943.28 [1]
[(2S,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-dimethylsulfanium;iodideKi6000000.0 [1]
9-Hydroxy-6H-pyrido[2,1-c][1,4]benzothiazin-8-oneIC50400.0 [1]
5-Hydroxy-2-thiophen-2-yl-1H-pyrimidin-6-oneIC50860.0 [1]
5-Hydroxy-2-(hydroxymethyl)-1-(2-methoxyethyl)pyridin-4-oneIC5010000.0 [1]
5-Hydroxy-2-(hydroxymethyl)-1-(3-phenylpropyl)pyridin-4-oneIC504500.0 [1]
1-(2,4-Dimethylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-oneIC505800.0 [1]
1-(3,5-Dimethylphenyl)-3-hydroxy-2-methylpyridin-4-oneIC505500.0 [1]
1-(4-Butylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-oneIC50160.0 [1]
5-Hydroxy-2-(hydroxymethyl)-1-(4-phenylphenyl)pyridin-4-oneIC50140.0 [1]
5-Hydroxy-2-(hydroxymethyl)-1-(3-phenylphenyl)pyridin-4-oneIC50140.0 [1]
5-[3-(4-Fluorophenyl)pyrrolidin-1-yl]sulfonylquinolin-8-olIC503.16 [1]
5-Hydroxy-2-(hydroxymethyl)-1-phenylpyridin-4(1H)-oneIC503400.0 [1]
3-Hydroxy-1-(4-pyridin-2-ylpyridin-2-yl)pyridin-4-oneIC50826.0 [1]
3-Hydroxy-1-(4-pyridin-4-ylpyridin-2-yl)pyridin-4-oneIC50672.0 [1]
3-Hydroxy-1-(4-pyridin-3-ylpyridin-2-yl)pyridin-4-oneIC50574.0 [1]
1-[4-(1-Benzylpyrazol-4-yl)pyridin-2-yl]-3-hydroxypyridin-4-oneIC5049.5 [1]
(5E)-5-[(3,4-Dihydroxy-5-nitrophenyl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dioneIC50179.0 [1]
2-N,2-N,3-N,3-N-Tetraethyl-6,7-dihydroxy-5-nitronaphthalene-2,3-dicarboxamideIC5054.0 [1]
(2S)-N-[3-[2-[2-[3-[5-[(3As,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-2-[(4-azidobenzoyl)amino]-N'-[6-[[4-(3,4-dihydroxy-5-nitrobenzoyl)phenyl]methyl-methylamino]-6-oxohexyl]butanediamideIC50648.0 [1]
5-Hydroxy-2-(hydroxymethyl)-1-(4-methylphenyl)pyridin-4-oneIC501700.0 [1]
3-Hydroxy-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-oneIC502100.0 [1]
6-(4-Methylphenyl)sulfonylquinolin-8-olIC501584.89 [1]
(8-Hydroxyquinolin-5-yl)-pyrrolidin-1-ylmethanoneIC5010000.0 [1]
5-(4-Methylphenyl)quinolin-8-olIC50251.19 [1]
(8-Hydroxyquinolin-5-yl)-(4-methylphenyl)methanoneIC503981.07 [1]
8-Methoxy-5-pyrrolidin-1-ylsulfonylquinolineIC5010000.0 [1]
3-Chloro-5,6-dihydroxy-7-nitro-1-benzothiophene-2-carboxylic acidKi1.0 [1]
2'-Methyl-1H,2'H-3,3'-bipyrazoleKi25118.86 [1]
(3-Amino-3-carboxypropyl)-[2-(2-methoxyphenyl)ethyl]-methylsulfanium;iodideKi5800000.0 [1]
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-methyl-(2-phenylethyl)sulfanium;iodideKi800000.0 [1]
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[2-(2-methoxyphenyl)ethyl]-methylsulfanium;iodideKi800000.0 [1]
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[2-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2-methoxyphenyl]ethyl]-methylsulfanium;iodideKi500000.0 [1]
Isobutyryloxymethyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylateKi17.0 [1]
(2-Oxo-1,3-dioxol-4-yl)methyl 3-chloro-5,6-dihydroxy-7-nitro-1-benzothiophene-2-carboxylateKi1.6 [1]
Methyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylateKi2.2 [1]
Propyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylateKi9.2 [1]
Butyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylateKi1.3 [1]
Isopropyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylateKi1.1 [1]
Benzyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylateKi10.2 [1]
1-(Isobutyryloxy)ethyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylateKi17.0 [1]
Butyryloxymethyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylateKi10.6 [1]
1-(Butyryloxy)ethyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylateKi16.6 [1]
(2-Amino-3-methylbutanoyl)oxymethyl 3-chloro-5,6-dihydroxy-7-nitro-1-benzothiophene-2-carboxylateKi6.0 [1]
3-[2-Methyl-4-(Trifluoromethyl)-1,3-Thiazol-5-Yl]-1H-1,2,4-TriazoleKi251188.64 [1]
[1-(Biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acidIC50200.0 [1]
1-[4-(3,4-Dichlorophenyl)pyridin-2-yl]-3-hydroxypyridin-4-oneIC5035.0 [1]
1-(3,5-Dimethylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-oneIC50680.0 [1]
1-[4-(2-Tert-butyl-1,3-thiazol-4-yl)pyridin-2-yl]-3-hydroxypyridin-4-oneIC50101.0 [1]
3-Hydroxy-1-phenylpyridin-4-oneIC502400.0 [1]
1',3'-Dimethyl-1H,1'H-3,4'-bipyrazoleKi15848.93 [1]
3-Hydroxy-1-[4-[6-(trifluoromethyl)pyridin-2-yl]pyridin-2-yl]pyridin-4-oneIC5084.0 [1]
5-Hydroxy-2-[3-(2-phenylethynyl)phenyl]-1H-pyrimidin-6-oneIC50590.0 [1]
5-Hydroxy-2-(4-trifluoromethyl-phenyl)-3H-pyrimidin-4-oneIC50210.0 [1]
5-Hydroxy-2-[3-(4-methoxyphenoxy)phenyl]-3-methylpyrimidin-4(3H)-oneIC5093.0 [1]



References

This online tool may be cited as follows

MLA

"Quest Database™ Catechol O-methyltransferase Inhibitors (IC50, Ki)." AAT Bioquest, Inc.9 May2024https://www.aatbio.com/data-sets/catechol-o-methyltransferase-inhibitors-ic50-ki.

APA

AAT Bioquest, Inc. (2024May 9). Quest Database™ Catechol O-methyltransferase Inhibitors (IC50, Ki). AAT Bioquest. https://www.aatbio.com/data-sets/catechol-o-methyltransferase-inhibitors-ic50-ki.
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