Compile Data Set for Download or QSAR
maximum 50k data
Found 141 Enz. Inhib. hit(s) with all data for entry = 6119
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM109760(US8609708, 44)
Affinity DataIC50:  20nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM50113851((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Affinity DataIC50:  80nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12341(CHEMBL178681 | CHEMBL359657 | US8609708, 1 | US860...)
Affinity DataIC50:  172nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12345(CHEMBL178090 | US8609708, 2 | US8609708, 47 | [5-(...)
Affinity DataIC50:  268nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM109753(US8609708, 29 | US8609708, 38)
Affinity DataIC50:  330nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM109748(CHEMBL179477 | US8609708, 22 | US8609708, 8)
Affinity DataIC50:  360nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM109754(US8609708, 32)
Affinity DataIC50:  360nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12348(3-(pyridin-3-yl)prop-2-yn-1-amine | CHEMBL360541 |...)
Affinity DataIC50:  514nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12351(3-(3-methylthiophen-2-yl)pyridine | CHEMBL179669 |...)
Affinity DataIC50:  622nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12352(3-(1-methyl-1H-imidazol-4-yl)pyridine | CHEMBL3609...)
Affinity DataIC50:  748nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM50113851((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Affinity DataIC50:  970nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM50113851((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Affinity DataIC50:  970nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM109747(US8609708, 7)
Affinity DataIC50:  1.00E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM109748(CHEMBL179477 | US8609708, 22 | US8609708, 8)
Affinity DataIC50:  1.02E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM109753(US8609708, 29 | US8609708, 38)
Affinity DataIC50:  1.02E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12343(CHEMBL369285 | US8609708, 9 | methyl({[5-(pyridin-...)
Affinity DataIC50:  1.10E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12354(2-fluoro-5-(3-methylthiophen-2-yl)pyridine | CHEMB...)
Affinity DataIC50:  1.29E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12355(3-(thiophen-3-yl)pyridine | CHEMBL361153 | US86097...)
Affinity DataIC50:  1.37E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM50158914(3-(1-Benzyl-1H-imidazol-4-yl)-pyridine | CHEMBL178...)
Affinity DataIC50:  1.39E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12356(3-(2-methyl-1H-imidazol-1-yl)pyridine | CHEMBL3688...)
Affinity DataIC50:  1.50E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12357(3-(1H-imidazol-4-yl)pyridine | CHEMBL178516 | JMC5...)
Affinity DataIC50:  1.51E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12357(3-(1H-imidazol-4-yl)pyridine | CHEMBL178516 | JMC5...)
Affinity DataIC50:  1.51E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM109751(US8609708, 21)
Affinity DataIC50:  1.59E+3nMAssay Description:To gain insight into the selectivity of the synthetic compounds, nicotine, nicotine related alkaloids and nicotine metabolites for inhibition of othe...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM109749(US8609708, 15 | US8609708,15)
Affinity DataIC50:  1.63E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12346(CHEMBL178938 | US8609708,16 | methyl({[5-(pyridin-...)
Affinity DataIC50:  1.65E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12358(3-(4-methylthiophen-3-yl)pyridine | CHEMBL179704 |...)
Affinity DataIC50:  1.85E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12358(3-(4-methylthiophen-3-yl)pyridine | CHEMBL179704 |...)
Affinity DataIC50:  1.85E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM50158923(5-Pyridin-3-yl-thiophene-2-carbaldehyde oxime | CH...)
Affinity DataIC50:  1.93E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM109750(US8609708, 19 β-Nicotyrine | US8609708, 19 be...)
Affinity DataIC50:  2.20E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM50158919(3-Thiophen-2-yl-pyridine | CHEMBL179618 | US860970...)
Affinity DataIC50:  3.05E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM50158928(3-(1-Ethyl-1H-imidazol-4-yl)-pyridine | CHEMBL3613...)
Affinity DataIC50:  3.14E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM109751(US8609708, 21)
Affinity DataIC50:  3.51E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM109748(CHEMBL179477 | US8609708, 22 | US8609708, 8)
Affinity DataIC50:  3.74E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM45886(3-(1,2,4-triazol-1-yl)pyridine | MLS-0091919.0001 ...)
Affinity DataIC50:  4.20E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM50158921(5-Pyridin-3-yl-furan-2-carbaldehyde oxime | 5-Pyri...)
Affinity DataIC50:  4.24E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM50158916(5-Pyridin-3-yl-thiophene-2-carbaldehyde | CHEMBL17...)
Affinity DataIC50:  4.77E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM109753(US8609708, 29 | US8609708, 38)
Affinity DataIC50:  5.21E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12349(CHEMBL149808 | US8609708, 26 | methyl[3-(pyridin-3...)
Affinity DataIC50:  5.36E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM109752(US8609708, 27)
Affinity DataIC50:  5.77E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM50158913(2-Fluoro-5-thiophen-3-yl-pyridine | CHEMBL179005 |...)
Affinity DataIC50:  5.84E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM109753(US8609708, 29 | US8609708, 38)
Affinity DataIC50:  5.90E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM109753(US8609708, 29 | US8609708, 38)
Affinity DataIC50:  5.90E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12351(3-(3-methylthiophen-2-yl)pyridine | CHEMBL179669 |...)
Affinity DataIC50:  5.99E+3nMAssay Description:To gain insight into the selectivity of the synthetic compounds, nicotine, nicotine related alkaloids and nicotine metabolites for inhibition of othe...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM50158918(CHEMBL179763 | US8609708, 30 | [3,3'']Bipyridinyl)
Affinity DataIC50:  6.60E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM50158918(CHEMBL179763 | US8609708, 30 | [3,3'']Bipyridinyl)
Affinity DataIC50:  6.60E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12341(CHEMBL178681 | CHEMBL359657 | US8609708, 1 | US860...)
Affinity DataIC50:  7.44E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM109754(US8609708, 32)
Affinity DataIC50:  7.65E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM109754(US8609708, 32)
Affinity DataIC50:  7.65E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM50158919(3-Thiophen-2-yl-pyridine | CHEMBL179618 | US860970...)
Affinity DataIC50:  7.80E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM50158919(3-Thiophen-2-yl-pyridine | CHEMBL179618 | US860970...)
Affinity DataIC50:  7.80E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent
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