Compile Data Set for Download or QSAR
Found 52 Enz. Inhib. hit(s) with all data for entry = 50037506
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159269(1,4-Dichloro-naphthalene | 1,4-dichloronaphthalene...)
Show SMILES Clc1ccc(Cl)c2ccccc12
Show InChI InChI=1S/C10H6Cl2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159255(2,4-Dimethyl-quinoline | 2,4-dimethylquinoline | C...)
Show SMILES Cc1cc(C)c2ccccc2n1
Show InChI InChI=1S/C11H11N/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h3-7H,1-2H3
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM23450(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)
Show SMILES Oc1cccc2ccccc12
Show InChI InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159273(2,6-Dimethyl-quinoline | 2,6-dimethylquinoline | C...)
Show SMILES Cc1ccc2nc(C)ccc2c1
Show InChI InChI=1S/C11H11N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3-7H,1-2H3
Affinity DataIC50: 3.30E+3nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50167996(1,4-DMN | 1,4-dimethylnaphthalene | CHEMBL362076)
Show SMILES Cc1ccc(C)c2ccccc12
Show InChI InChI=1S/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3
Affinity DataIC50: 3.60E+3nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159253(2,7-Dimethyl-quinoline | 2,7-dimethylquinoline | C...)
Show SMILES Cc1ccc2ccc(C)nc2c1
Show InChI InChI=1S/C11H11N/c1-8-3-5-10-6-4-9(2)12-11(10)7-8/h3-7H,1-2H3
Affinity DataIC50: 4.40E+3nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159280(1,2-DMN | 1,2-Dimethylnaphthalene | CHEMBL382541)
Show SMILES Cc1ccc2ccccc2c1C
Show InChI InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3
Affinity DataIC50: 5.50E+3nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159248(1,7-DMN | 1,7-dimethylnaphthalene | CHEMBL373024)
Show SMILES Cc1ccc2cccc(C)c2c1
Show InChI InChI=1S/C12H12/c1-9-6-7-11-5-3-4-10(2)12(11)8-9/h3-8H,1-2H3
Affinity DataIC50: 7.50E+3nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159274(1,3-DMN | 1,3-dimethylnaphthalene | CHEMBL370524)
Show SMILES Cc1cc(C)c2ccccc2c1
Show InChI InChI=1S/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-8H,1-2H3
Affinity DataIC50: 7.90E+3nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159258(2-Methoxy-naphthalene | 2-methoxynaphthalene | CHE...)
Show SMILES COc1ccc2ccccc2c1
Show InChI InChI=1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159256(3-Methyl-1-benzazine | 3-methylquinoline | CHEMBL1...)
Show SMILES Cc1cnc2ccccc2c1
Show InChI InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159251(1,5-Dichloro-naphthalene | 1,5-dichloronaphthalene...)
Show SMILES Clc1cccc2c(Cl)cccc12
Show InChI InChI=1S/C10H6Cl2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H
Affinity DataIC50: 1.40E+4nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159267(2-(4-methylphenyl)ethylamine | 2-p-Tolyl-ethylamin...)
Show SMILES Cc1ccc(CCN)cc1
Show InChI InChI=1S/C9H13N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6-7,10H2,1H3
Affinity DataIC50: 1.40E+4nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159250(2-Naphthol | 2-naphthalenol | CHEMBL14126 | Naphth...)
Show SMILES Oc1ccc2ccccc2c1
Show InChI InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159278(2-Ethyl-naphthalene | 2-ethylnaphthalene | CHEMBL3...)
Show SMILES CCc1ccc2ccccc2c1
Show InChI InChI=1S/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159262(3-Methyl-isoquinoline | 3-methylisoquinoline | CHE...)
Show SMILES Cc1cc2ccccc2cn1
Show InChI InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-7H,1H3
Affinity DataIC50: 2.10E+4nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159275(1,6-DMN | 1,6-Dimethylnaphthalene | CHEMBL363803)
Show SMILES Cc1ccc2c(C)cccc2c1
Show InChI InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159277(2-Methyl-quinoline | 2-methylquinoline | CHEMBL194...)
Show SMILES Cc1ccc2ccccc2n1
Show InChI InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159247(1,5-DMN | 1,5-dimethylnaphthalene | CHEMBL435106)
Show SMILES Cc1cccc2c(C)cccc12
Show InChI InChI=1S/C12H12/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h3-8H,1-2H3
Affinity DataIC50: 4.20E+4nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50168011(5-Heptyl-dihydro-furan-2-one | CHEMBL195827)
Show SMILES CCCCCCCC1CCC(=O)O1
Show InChI InChI=1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3
Affinity DataIC50: 4.50E+4nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159271(4-Chlorbiphenyl | 4-chloro-1,1'-biphenyl | 4-chlor...)
Show SMILES Clc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
Affinity DataIC50: 4.90E+4nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159270(2-Fluoro-naphthalene | 2-fluoronaphthalene | CHEMB...)
Show SMILES Fc1ccc2ccccc2c1
Show InChI InChI=1S/C10H7F/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
Affinity DataIC50: 4.90E+4nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159260(1-Chloro-naphthalene | 1-chloronaphthalene | CHEMB...)
Show SMILES Clc1cccc2ccccc12
Show InChI InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159257(2,6-DMN | 2,6-Dimethylnaphthalene | CHEMBL194983)
Show SMILES Cc1ccc2cc(C)ccc2c1
Show InChI InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3
Affinity DataIC50: 5.20E+4nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50168007(Butyl-cyclohexane | CHEMBL192820)
Show SMILES CCCCC1CCCCC1
Show InChI InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3
Affinity DataIC50: 5.50E+4nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50168008(5-Octyl-dihydro-furan-2-one | CHEMBL195215)
Show SMILES CCCCCCCCC1CCC(=O)O1
Show InChI InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3
Affinity DataIC50: 5.80E+4nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159240(2,7-DMN | 2,7-dimethylnaphthalene | CHEMBL195036)
Show SMILES Cc1ccc2ccc(C)cc2c1
Show InChI InChI=1S/C12H12/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3-8H,1-2H3
Affinity DataIC50: 6.50E+4nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50370574(CHEMBL478851)
Show SMILES CCCCCC1CCOC(=O)C1
Show InChI InChI=1S/C10H18O2/c1-2-3-4-5-9-6-7-12-10(11)8-9/h9H,2-8H2,1H3
Affinity DataIC50: 7.20E+4nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50168003(1,3-dihydro-2H-inden-2-one | CHEMBL195557 | beta-h...)
Show SMILES O=C1Cc2ccccc2C1
Show InChI InChI=1S/C9H8O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H2
Affinity DataIC50: 8.00E+4nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159279(1-methylnaphthalene | CHEMBL383808 | alpha-methyln...)
Show SMILES Cc1cccc2ccccc12
Show InChI InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3
Affinity DataIC50: 1.10E+5nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50167997(5-Hexyl-dihydro-furan-2-one | CHEMBL365740)
Show SMILES CCCCCCC1CCC(=O)O1
Show InChI InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3
Affinity DataIC50: 1.10E+5nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159241(2-methylnaphthalene | CHEMBL195895 | beta-Methylna...)
Show SMILES Cc1ccc2ccccc2c1
Show InChI InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3
Affinity DataIC50: 1.20E+5nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50168002(1,1'-biphenyl | CHEMBL14092 | biphenyl)
Show SMILES c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H
Affinity DataIC50: 1.60E+5nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50370574(CHEMBL478851)
Show SMILES CCCCCC1CCOC(=O)C1
Show InChI InChI=1S/C10H18O2/c1-2-3-4-5-9-6-7-12-10(11)8-9/h9H,2-8H2,1H3
Affinity DataIC50: 2.30E+5nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159252(1-chloro-2-phenylbenzene | 2-Chlorbiphenyl | 2-Chl...)
Show SMILES Clc1ccccc1-c1ccccc1
Show InChI InChI=1S/C12H9Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
Affinity DataIC50: 2.30E+5nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50029069(2-Coumarotioiie | 3H-Benzofuran-2-one | CHEMBL2845...)
Show SMILES O=C1Cc2ccccc2O1
Show InChI InChI=1S/C8H6O2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4H,5H2
Affinity DataIC50: 2.60E+5nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50139370(4-Methoxy-benzaldehyde | 4-methoxybenzaldehyde | C...)
Show SMILES COc1ccc(C=O)cc1
Show InChI InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
Affinity DataIC50: 2.70E+5nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50167995(5-Pentyl-dihydro-furan-2-one | CHEMBL191935)
Show SMILES CCCCCC1CCC(=O)O1
Show InChI InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3
Affinity DataIC50: 3.10E+5nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50168000(3H-Benzooxazol-2-one | CHEMBL280323 | benzo[d]oxaz...)
Show SMILES O=c1[nH]c2ccccc2o1
Show InChI InChI=1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
Affinity DataIC50: 3.70E+5nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50167998(CHEMBL370687 | Indan | indane)
Show SMILES C1Cc2ccccc2C1
Show InChI InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2
Affinity DataIC50: 5.50E+5nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159249(CHEMBL16293 | Naphthalen | Naphthalin | naftaleno ...)
Show SMILES c1ccc2ccccc2c1
Show InChI InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
Affinity DataIC50: 7.00E+5nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50168006(2,3-Dihydro-benzofuran | CHEMBL370688)
Show SMILES C1Cc2ccccc2O1
Show InChI InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2
Affinity DataIC50: 1.20E+6nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50168005(5-Phenyl-dihydro-furan-2-one | CHEMBL191989)
Show SMILES O=C1CCC(O1)c1ccccc1
Show InChI InChI=1S/C10H10O2/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
Affinity DataIC50: 2.30E+6nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50167957(CHEMBL195441 | butylbenzene)
Show SMILES CCCCc1ccccc1
Show InChI InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3
Affinity DataIC50: 3.70E+6nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
Affinity DataIC50: 4.10E+6nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50167999(4,6-Dimethyl-pyran-2-one | CHEMBL372284)
Show SMILES Cc1cc(C)oc(=O)c1
Show InChI InChI=1S/C7H8O2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3
Affinity DataIC50: 4.50E+6nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50168009(5-Propyl-dihydro-furan-2-one | CHEMBL365316)
Show SMILES CCCC1CCC(=O)O1
Show InChI InChI=1S/C7H12O2/c1-2-3-6-4-5-7(8)9-6/h6H,2-5H2,1H3
Affinity DataIC50: 4.50E+6nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50370573(COTININE | US10667515, Compound (S)-cotinine | US8...)
Show SMILES CN1[C@@H](CCC1=O)c1cccnc1
Show InChI InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1
Affinity DataIC50: 5.40E+6nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50167994(5-Ethyl-dihydro-furan-2-one | CHEMBL192458)
Show SMILES CCC1CCC(=O)O1
Show InChI InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3
Affinity DataIC50: 9.90E+6nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50168010(4-Hydroxypentanoic acid lactone | 4-Hydroxyvaleric...)
Show SMILES CC1CCC(=O)O1
Show InChI InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3
Affinity DataIC50: 1.50E+7nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
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