Compile Data Set for Download or QSAR

Found 110 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2B1'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50027783 (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	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VQ33X3
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50027784 (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	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VQ33X3
					More data for this Ligand-Target Pair
Cytochrome P450 2B11 (Canis familiaris)	BDBM50027786 (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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VQ33X3
					More data for this Ligand-Target Pair
Cytochrome P450 2B11 (Canis familiaris)	BDBM50027786 (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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VQ33X3
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50003140 (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	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VQ33X3
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM15579 (CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...) Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r| 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	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VQ33X3
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM15581 (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	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VQ33X3
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50310823 (CHEMBL1078442 | bergamottin) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=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+	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VQ33X3
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50027787 (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	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VQ33X3
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50240520 ((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	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VQ33X3
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50187243 (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 |r| 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	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VQ33X3
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50418085 (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	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VQ33X3
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50418086 (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	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem	PubMed	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VQ33X3
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM24656 (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)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50017716 (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	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404886 (CHEMBL169709) Show SMILES Brc1ccc(OCc2nc3ccccc3[nH]2)c(Br)c1 Show InChI InChI=1S/C14H10Br2N2O/c15-9-5-6-13(10(16)7-9)19-8-14-17-11-3-1-2-4-12(11)18-14/h1-7H,8H2,(H,17,18)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404883 (CHEMBL169858) Show SMILES Brc1cccc(Br)c1OCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C14H10Br2N2O/c15-9-4-3-5-10(16)14(9)19-8-13-17-11-6-1-2-7-12(11)18-13/h1-7H,8H2,(H,17,18)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404941 (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)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404855 (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)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404893 (CHEMBL355666) Show SMILES Clc1ccc(Cc2nc3ccccc3[nH]2)c(Cl)c1 Show InChI InChI=1S/C14H10Cl2N2/c15-10-6-5-9(11(16)8-10)7-14-17-12-3-1-2-4-13(12)18-14/h1-6,8H,7H2,(H,17,18)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404855 (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)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404888 (CHEMBL169203) Show SMILES C(CCc1ccccc1)Cc1nc2ccccc2[nH]1 Show InChI InChI=1S/C17H18N2/c1-2-8-14(9-3-1)10-4-7-13-17-18-15-11-5-6-12-16(15)19-17/h1-3,5-6,8-9,11-12H,4,7,10,13H2,(H,18,19)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404902 (CHEMBL355669) Show SMILES C(c1nc2ccccc2[nH]1)c1ccc2ccccc2c1 Show InChI InChI=1S/C18H14N2/c1-2-6-15-11-13(9-10-14(15)5-1)12-18-19-16-7-3-4-8-17(16)20-18/h1-11H,12H2,(H,19,20)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404903 (CHEMBL172621) Show SMILES C(Cc1nc2ccccc2[nH]1)Cc1ccccc1 Show InChI InChI=1S/C16H16N2/c1-2-7-13(8-3-1)9-6-12-16-17-14-10-4-5-11-15(14)18-16/h1-5,7-8,10-11H,6,9,12H2,(H,17,18)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.91E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM39194 ((1H-Benzoimidazol-5-yl)-phenyl-methanone | 3H-benz...) Show SMILES O=C(c1ccccc1)c1ccc2nc[nH]c2c1 Show InChI InChI=1S/C14H10N2O/c17-14(10-4-2-1-3-5-10)11-6-7-12-13(8-11)16-9-15-12/h1-9H,(H,15,16)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404916 (CHEMBL171325) Show SMILES Brc1ccc(OCc2nc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C14H11BrN2O/c15-10-5-7-11(8-6-10)18-9-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2,(H,16,17)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.19E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404936 (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)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.29E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404925 (CHEMBL354972) Show SMILES Clc1cccc(Cc2nc3ccccc3[nH]2)c1 Show InChI InChI=1S/C14H11ClN2/c15-11-5-3-4-10(8-11)9-14-16-12-6-1-2-7-13(12)17-14/h1-8H,9H2,(H,16,17)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.29E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404905 (CHEMBL170513) Show SMILES C(c1nc2ccccc2[nH]1)c1cccc2ccccc12 Show InChI InChI=1S/C18H14N2/c1-2-9-15-13(6-1)7-5-8-14(15)12-18-19-16-10-3-4-11-17(16)20-18/h1-11H,12H2,(H,19,20)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404930 (CHEMBL170998) Show SMILES C(Cc1nc2ccccc2[nH]1)Oc1ccccc1 Show InChI InChI=1S/C15H14N2O/c1-2-6-12(7-3-1)18-11-10-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404896 (CHEMBL355280) Show SMILES Clc1ccc(OCc2nc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C14H11ClN2O/c15-10-5-7-11(8-6-10)18-9-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2,(H,16,17)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404852 (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)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.57E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404942 (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)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.57E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404944 (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)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.57E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404852 (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)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404907 (CHEMBL172114) Show SMILES Clc1cc(NC(=O)c2ccccc2)c2[nH]cnc2c1 Show InChI InChI=1S/C14H10ClN3O/c15-10-6-11-13(17-8-16-11)12(7-10)18-14(19)9-4-2-1-3-5-9/h1-8H,(H,16,17)(H,18,19)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.69E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404934 (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)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.69E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404931 (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)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.82E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404938 (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)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.88E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404932 (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)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.88E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404909 (CHEMBL352972) Show SMILES C1N=c2c3ccccc3c3ccccc3c2=N1 |c:18,t:1| Show InChI InChI=1S/C15H10N2/c1-3-7-12-10(5-1)11-6-2-4-8-13(11)15-14(12)16-9-17-15/h1-8H,9H2	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.02E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404891 (CHEMBL353945) Show SMILES Cc1cc(OCc2nc3ccccc3[nH]2)cc(C)c1Cl Show InChI InChI=1S/C16H15ClN2O/c1-10-7-12(8-11(2)16(10)17)20-9-15-18-13-5-3-4-6-14(13)19-15/h3-8H,9H2,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.02E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404921 (CHEMBL171191) Show SMILES CCCCCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C13H18N2/c1-2-3-4-5-10-13-14-11-8-6-7-9-12(11)15-13/h6-9H,2-5,10H2,1H3,(H,14,15)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.24E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50240909 (2-Phenethyl-1H-benzoimidazole | 2-phenethyl-1H-ben...) Show SMILES C(Cc1ccccc1)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C15H14N2/c1-2-6-12(7-3-1)10-11-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.89E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404904 (CHEMBL170910) Show SMILES CCCCCCCc1nc2ccc(C)cc2[nH]1 Show InChI InChI=1S/C15H22N2/c1-3-4-5-6-7-8-15-16-13-10-9-12(2)11-14(13)17-15/h9-11H,3-8H2,1-2H3,(H,16,17)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.17E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404940 (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)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.47E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404926 (CHEMBL355159) Show SMILES Cc1ccc(OCc2nc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C15H14N2O/c1-11-6-8-12(9-7-11)18-10-15-16-13-4-2-3-5-14(13)17-15/h2-9H,10H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.47E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404854 (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)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404854 (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)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.01E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404853 (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)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair

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