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Compile Data Set for Download or QSAR

Found 110 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2B1'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50330386
PNG
(4-(4'-hydroxy-phenylamino)-4-oxo propanoic acid | ...)
Show SMILES OC(=O)CCC(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C10H11NO4/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15)
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n/an/an/a 1.12E+3n/an/an/an/an/a



Instituto Politécnico Nacional

Curated by ChEMBL


Assay Description
Binding affinity to rat CYP2B1


Eur J Med Chem 45: 4845-55 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.055
BindingDB Entry DOI: 10.7270/Q2862GPP
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50330387
PNG
(1H-pyrrolidine-1-(4'-hydroxyphenyl)-2,5-dione | CH...)
Show SMILES Oc1ccc(O)n1-c1ccc(O)cc1
Show InChI InChI=1S/C10H9NO3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-6,12-14H
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n/an/an/a 2.40E+4n/an/an/an/an/a



Instituto Politécnico Nacional

Curated by ChEMBL


Assay Description
Binding affinity to rat CYP2B1


Eur J Med Chem 45: 4845-55 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.055
BindingDB Entry DOI: 10.7270/Q2862GPP
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50027783
PNG
(2-Ethynyl Naphtalene | CHEMBL1743361)
Show SMILES C#Cc1ccc2ccccc2c1
Show InChI InChI=1S/C12H8/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h1,3-9H
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80n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rat cytochrome P450 CYP2B1 measured by 7-ethoxycoumarin O-deethylase activity


Curr Drug Metab 6: 413-54 (2005)


Article DOI: 10.2174/138920005774330639
BindingDB Entry DOI: 10.7270/Q2VQ33X3
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50027784
PNG
(9-Ethynyl Phenanthrene | CHEMBL1908227)
Show SMILES C#Cc1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C16H10/c1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16/h1,3-11H
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140n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rat cytochrome P450 CYP2B1 measured by 7-pentoxyresorufin O-deethylation activity (PROD)


Curr Drug Metab 6: 413-54 (2005)


Article DOI: 10.2174/138920005774330639
BindingDB Entry DOI: 10.7270/Q2VQ33X3
More data for this
Ligand-Target Pair
Cytochrome P450 2B11


(Canis familiaris)
BDBM50027786
PNG
(CHEMBL1908236)
Show SMILES CC(Nn1nnc2ccccc12)c1ccccc1
Show InChI InChI=1S/C14H14N4/c1-11(12-7-3-2-4-8-12)16-18-14-10-6-5-9-13(14)15-17-18/h2-11,16H,1H3
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350n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of dog cytochrome P450 CYP2B11 measured by Diazepam N1-demethylation using recombinant enzyme


Curr Drug Metab 6: 413-54 (2005)


Article DOI: 10.2174/138920005774330639
BindingDB Entry DOI: 10.7270/Q2VQ33X3
More data for this
Ligand-Target Pair
Cytochrome P450 2B11


(Canis familiaris)
BDBM50027786
PNG
(CHEMBL1908236)
Show SMILES CC(Nn1nnc2ccccc12)c1ccccc1
Show InChI InChI=1S/C14H14N4/c1-11(12-7-3-2-4-8-12)16-18-14-10-6-5-9-13(14)15-17-18/h2-11,16H,1H3
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460n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of dog cytochrome P450 CYP2B11 measured by Diazepam N1-demethylation using liver microsomes


Curr Drug Metab 6: 413-54 (2005)


Article DOI: 10.2174/138920005774330639
BindingDB Entry DOI: 10.7270/Q2VQ33X3
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50003140
PNG
(CHEMBL541325 | Methyl-(1-methyl-hexyl)-prop-2-ynyl...)
Show SMILES CCCCCC(C)N(C)CC#C
Show InChI InChI=1S/C11H21N/c1-5-7-8-9-11(3)12(4)10-6-2/h2,11H,5,7-10H2,1,3-4H3
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800n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rat cytochrome P450 CYP2B1 measured by 7-pentoxyresorufin O-deethylation activity (PROD)


Curr Drug Metab 6: 413-54 (2005)


Article DOI: 10.2174/138920005774330639
BindingDB Entry DOI: 10.7270/Q2VQ33X3
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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1.05E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rat cytochrome P450 CYP2B1 measured by 7-EFC O-deethylation activity


Curr Drug Metab 6: 413-54 (2005)


Article DOI: 10.2174/138920005774330639
BindingDB Entry DOI: 10.7270/Q2VQ33X3
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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1.50E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rat cytochrome P450 CYP2B1 measured by 7-EFC O-deethylation activity


Curr Drug Metab 6: 413-54 (2005)


Article DOI: 10.2174/138920005774330639
BindingDB Entry DOI: 10.7270/Q2VQ33X3
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50310823
PNG
(CHEMBL1078442 | bergamottin)
Show SMILES CC(C)=CCC\C(C)=C\COc1c2ccoc2cc2oc(=O)ccc12
Show InChI InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
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2.40E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rat cytochrome P450 2B1


Curr Drug Metab 6: 413-54 (2005)


Article DOI: 10.2174/138920005774330639
BindingDB Entry DOI: 10.7270/Q2VQ33X3
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50027787
PNG
(CHEMBL1908211 | N-Methylcarbazole)
Show SMILES Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C13H11N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-9H,1H3
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5.20E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rat cytochrome P450 CYP2B1


Curr Drug Metab 6: 413-54 (2005)


Article DOI: 10.2174/138920005774330639
BindingDB Entry DOI: 10.7270/Q2VQ33X3
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50240520
PNG
((isothiocyanatomethyl)benzene | BITC, 17 | Benzyls...)
Show SMILES S=C=NCc1ccccc1
Show InChI InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
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5.80E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rat cytochrome P450 CYP2B1 measured by 7-EFC O-deethylation activity


Curr Drug Metab 6: 413-54 (2005)


Article DOI: 10.2174/138920005774330639
BindingDB Entry DOI: 10.7270/Q2VQ33X3
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50187243
PNG
(17-ethinyl-3,17-estradiol | 17-ethinyl-3,17-oestra...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C
Show InChI InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
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1.10E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rat cytochrome P450 2B1


Curr Drug Metab 6: 413-54 (2005)


Article DOI: 10.2174/138920005774330639
BindingDB Entry DOI: 10.7270/Q2VQ33X3
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50418085
PNG
(CHEMBL1743344)
Show SMILES CC(C)(N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C14H21N/c1-14(2,13-9-5-3-6-10-13)15-11-7-4-8-12-15/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3
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1.20E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rat cytochrome P450 2B1


Curr Drug Metab 6: 413-54 (2005)


Article DOI: 10.2174/138920005774330639
BindingDB Entry DOI: 10.7270/Q2VQ33X3
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50418086
PNG
(THIOTEPA | Thioplex)
Show SMILES S=P(N1CC1)(N1CC1)N1CC1
Show InChI InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2
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3.10E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rat cytochrome P450 2B1


Curr Drug Metab 6: 413-54 (2005)


Article DOI: 10.2174/138920005774330639
BindingDB Entry DOI: 10.7270/Q2VQ33X3
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404931
PNG
(CHEMBL354514)
Show SMILES Clc1cccc(OCc2nc3ccccc3[nH]2)c1Cl
Show InChI InChI=1S/C14H10Cl2N2O/c15-9-4-3-7-12(14(9)16)19-8-13-17-10-5-1-2-6-11(10)18-13/h1-7H,8H2,(H,17,18)
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n/an/a 2.82E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404855
PNG
(CHEMBL158007)
Show SMILES CCCCCCCCCCCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H28N2/c1-2-3-4-5-6-7-8-9-10-15-18-19-16-13-11-12-14-17(16)20-18/h11-14H,2-10,15H2,1H3,(H,19,20)
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n/an/a 1.51E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404932
PNG
(CHEMBL169149)
Show SMILES Cc1cccc(OCc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C15H14N2O/c1-11-5-4-6-12(9-11)18-10-15-16-13-7-2-3-8-14(13)17-15/h2-9H,10H2,1H3,(H,16,17)
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n/an/a 2.88E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404933
PNG
(CHEMBL171464)
Show SMILES Cc1nc2ccc(C)cc2[nH]1
Show InChI InChI=1S/C9H10N2/c1-6-3-4-8-9(5-6)11-7(2)10-8/h3-5H,1-2H3,(H,10,11)
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n/an/a 4.79E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404934
PNG
(CHEMBL172156)
Show SMILES Clc1ccccc1OCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H11ClN2O/c15-10-5-1-4-8-13(10)18-9-14-16-11-6-2-3-7-12(11)17-14/h1-8H,9H2,(H,16,17)
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n/an/a 2.69E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50208881
PNG
(5-Nitro-1H-benzoimidazole | 5-nitrobenzimidazole |...)
Show SMILES [O-][N+](=O)c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)
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n/an/a 3.09E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50208872
PNG
(5,6-dimethyl-1H-benzimidazole | 5,6-dimethylbenzim...)
Show SMILES Cc1cc2nc[nH]c2cc1C
Show InChI InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)
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n/an/a 1.82E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404935
PNG
(CHEMBL71855)
Show SMILES Cc1nc2cc(Cl)c(Cl)cc2[nH]1
Show InChI InChI=1S/C8H6Cl2N2/c1-4-11-7-2-5(9)6(10)3-8(7)12-4/h2-3H,1H3,(H,11,12)
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n/an/a 8.13E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50078834
PNG
(2-(pyridin-2-yl)-1H-benzo[d]imidazole | 2-pyridin-...)
Show SMILES c1ccc(nc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C12H9N3/c1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11/h1-8H,(H,14,15)
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n/an/a 6.46E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404936
PNG
(CHEMBL169212)
Show SMILES CCCCCCCCCCCCCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H32N2/c1-2-3-4-5-6-7-8-9-10-11-12-17-20-21-18-15-13-14-16-19(18)22-20/h13-16H,2-12,17H2,1H3,(H,21,22)
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n/an/a 2.29E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404937
PNG
(CHEMBL168387)
Show SMILES [O-][N+](=O)c1cccc2[nH]cnc12
Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-7(6)9-4-8-5/h1-4H,(H,8,9)
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n/an/a 4.68E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404938
PNG
(CHEMBL170771)
Show SMILES CCCCCCCCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H22N2/c1-2-3-4-5-6-7-12-15-16-13-10-8-9-11-14(13)17-15/h8-11H,2-7,12H2,1H3,(H,16,17)
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n/an/a 2.88E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404939
PNG
(CHEMBL262400)
Show SMILES Cc1nc2ccc(NC(=O)c3ccccc3)cc2[nH]1
Show InChI InChI=1S/C15H13N3O/c1-10-16-13-8-7-12(9-14(13)17-10)18-15(19)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)(H,18,19)
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n/an/a 3.02E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404940
PNG
(CHEMBL169701)
Show SMILES CCCCCCCc1nc2cc(C)c(C)cc2[nH]1
Show InChI InChI=1S/C16H24N2/c1-4-5-6-7-8-9-16-17-14-10-12(2)13(3)11-15(14)18-16/h10-11H,4-9H2,1-3H3,(H,17,18)
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n/an/a 4.47E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50078827
PNG
(2-(pyridin-3-yl)-1H-benzo[d]imidazole | 2-Pyridin-...)
Show SMILES c1ccc2[nH]c(nc2c1)-c1cccnc1
Show InChI InChI=1S/C12H9N3/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-8H,(H,14,15)
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n/an/a 2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404941
PNG
(CHEMBL353984)
Show SMILES Brc1ccccc1OCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H11BrN2O/c15-10-5-1-4-8-13(10)18-9-14-16-11-6-2-3-7-12(11)17-14/h1-8H,9H2,(H,16,17)
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n/an/a 1.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404942
PNG
(CHEMBL353595)
Show SMILES Cc1cc(C)cc(OCc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C16H16N2O/c1-11-7-12(2)9-13(8-11)19-10-16-17-14-5-3-4-6-15(14)18-16/h3-9H,10H2,1-2H3,(H,17,18)
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n/an/a 2.57E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404943
PNG
(CHEMBL415754)
Show SMILES C1N=c2ccc3ccccc3c2=N1
Show InChI InChI=1S/C11H8N2/c1-2-4-9-8(3-1)5-6-10-11(9)13-7-12-10/h1-6H,7H2
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n/an/a 5.37E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404944
PNG
(CHEMBL424396)
Show SMILES Cc1ccc(OCc2nc3ccccc3[nH]2)cc1C
Show InChI InChI=1S/C16H16N2O/c1-11-7-8-13(9-12(11)2)19-10-16-17-14-5-3-4-6-15(14)18-16/h3-9H,10H2,1-2H3,(H,17,18)
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n/an/a 2.57E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404854
PNG
(CHEMBL155867)
Show SMILES CCCCCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C12H16N2/c1-2-3-4-9-12-13-10-7-5-6-8-11(10)14-12/h5-8H,2-4,9H2,1H3,(H,13,14)
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n/an/a 5.01E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404852
PNG
(CHEMBL345675)
Show SMILES CCCCCCCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H20N2/c1-2-3-4-5-6-11-14-15-12-9-7-8-10-13(12)16-14/h7-10H,2-6,11H2,1H3,(H,15,16)
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n/an/a 2.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)


Article DOI: 10.1021/jm00348a003
BindingDB Entry DOI: 10.7270/Q2474C1S
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404854
PNG
(CHEMBL155867)
Show SMILES CCCCCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C12H16N2/c1-2-3-4-9-12-13-10-7-5-6-8-11(10)14-12/h5-8H,2-4,9H2,1H3,(H,13,14)
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n/an/a 5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)


Article DOI: 10.1021/jm00348a003
BindingDB Entry DOI: 10.7270/Q2474C1S
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404851
PNG
(CHEMBL156439)
Show SMILES CCc1nc2cc(C)c(C)cc2[nH]1
Show InChI InChI=1S/C11H14N2/c1-4-11-12-9-5-7(2)8(3)6-10(9)13-11/h5-6H,4H2,1-3H3,(H,12,13)
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n/an/a 1.80E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)


Article DOI: 10.1021/jm00348a003
BindingDB Entry DOI: 10.7270/Q2474C1S
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM7939
PNG
(1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...)
Show SMILES c1nc2ccccc2[nH]1
Show InChI InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
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n/an/a 9.80E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)


Article DOI: 10.1021/jm00348a003
BindingDB Entry DOI: 10.7270/Q2474C1S
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404853
PNG
(CHEMBL156313)
Show SMILES c1nc2cc3ccccc3cc2[nH]1
Show InChI InChI=1S/C11H8N2/c1-2-4-9-6-11-10(12-7-13-11)5-8(9)3-1/h1-7H,(H,12,13)
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n/an/a 5.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)


Article DOI: 10.1021/jm00348a003
BindingDB Entry DOI: 10.7270/Q2474C1S
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404855
PNG
(CHEMBL158007)
Show SMILES CCCCCCCCCCCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H28N2/c1-2-3-4-5-6-7-8-9-10-15-18-19-16-13-11-12-14-17(16)20-18/h11-14H,2-10,15H2,1H3,(H,19,20)
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)


Article DOI: 10.1021/jm00348a003
BindingDB Entry DOI: 10.7270/Q2474C1S
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50208872
PNG
(5,6-dimethyl-1H-benzimidazole | 5,6-dimethylbenzim...)
Show SMILES Cc1cc2nc[nH]c2cc1C
Show InChI InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)
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n/an/a 1.80E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)


Article DOI: 10.1021/jm00348a003
BindingDB Entry DOI: 10.7270/Q2474C1S
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404858
PNG
(CHEMBL351569)
Show SMILES CCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C9H10N2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3,(H,10,11)
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n/an/a 6.70E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)


Article DOI: 10.1021/jm00348a003
BindingDB Entry DOI: 10.7270/Q2474C1S
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404849
PNG
(CHEMBL348508)
Show SMILES CCCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H12N2/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h3-4,6-7H,2,5H2,1H3,(H,11,12)
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n/an/a 3.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)


Article DOI: 10.1021/jm00348a003
BindingDB Entry DOI: 10.7270/Q2474C1S
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404856
PNG
(CHEMBL156134)
Show SMILES Cc1nc2cc(C)c(C)cc2[nH]1
Show InChI InChI=1S/C10H12N2/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3,(H,11,12)
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n/an/a 3.70E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)


Article DOI: 10.1021/jm00348a003
BindingDB Entry DOI: 10.7270/Q2474C1S
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404850
PNG
(CHEMBL309135)
Show SMILES Cc1nc2ccccc2[nH]1
Show InChI InChI=1S/C8H8N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3,(H,9,10)
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n/an/a 1.08E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)


Article DOI: 10.1021/jm00348a003
BindingDB Entry DOI: 10.7270/Q2474C1S
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM24656
PNG
(4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...)
Show SMILES c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
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n/an/a 7.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)


Article DOI: 10.1021/jm00348a003
BindingDB Entry DOI: 10.7270/Q2474C1S
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50017716
PNG
(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)
Show SMILES CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H31NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3/h7-16H,4-6,17-19H2,1-3H3
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n/an/a 8.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)


Article DOI: 10.1021/jm00348a003
BindingDB Entry DOI: 10.7270/Q2474C1S
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404880
PNG
(CHEMBL169412)
Show SMILES OC(c1nc2ccccc2[nH]1)c1ccccc1
Show InChI InChI=1S/C14H12N2O/c17-13(10-6-2-1-3-7-10)14-15-11-8-4-5-9-12(11)16-14/h1-9,13,17H,(H,15,16)
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n/an/a 1.58E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404881
PNG
(CHEMBL169192)
Show SMILES ClCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C8H7ClN2/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,11)
PDB

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Article
PubMed
n/an/a 1.41E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
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