Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50017510   

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 2J2 (Homo sapiens (Human))	BDBM50183079 (4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-p...) Show SMILES CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H37NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-19,29,34H,2,9-10,15,20-24H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183075 (1-(4-allylphenyl)-4-(4-(hydroxydiphenylmethyl)pipe...) Show SMILES OC(C1CCN(CCCC(=O)c2ccc(CC=C)cc2)CC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H35NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h2-8,11-14,16-19,29,34H,1,9-10,15,20-24H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183079 (4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-p...) Show SMILES CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H37NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-19,29,34H,2,9-10,15,20-24H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183085 (1-(4-ethylphenyl)-4-(4-(hydroxydiphenylmethyl)pipe...) Show SMILES CCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H35NO2/c1-2-24-15-17-25(18-16-24)29(32)14-9-21-31-22-19-28(20-23-31)30(33,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28,33H,2,9,14,19-23H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183080 (1-(4-butylphenyl)-4-(4-(hydroxydiphenylmethyl)pipe...) Show SMILES CCCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H39NO2/c1-2-3-11-26-17-19-27(20-18-26)31(34)16-10-23-33-24-21-30(22-25-33)32(35,28-12-6-4-7-13-28)29-14-8-5-9-15-29/h4-9,12-15,17-20,30,35H,2-3,10-11,16,21-25H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183082 (4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-p-to...) Show SMILES Cc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H33NO2/c1-23-14-16-24(17-15-23)28(31)13-8-20-30-21-18-27(19-22-30)29(32,25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-7,9-12,14-17,27,32H,8,13,18-22H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183084 (CHEMBL205154 | terfenadone) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H39NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29,35H,10,15,20-24H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183077 (4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-(...) Show SMILES OCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H35NO3/c32-23-19-24-13-15-25(16-14-24)29(33)12-7-20-31-21-17-28(18-22-31)30(34,26-8-3-1-4-9-26)27-10-5-2-6-11-27/h1-6,8-11,13-16,28,32,34H,7,12,17-23H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183078 (4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-(...) Show SMILES OCCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H37NO3/c33-24-8-9-25-15-17-26(18-16-25)30(34)14-7-21-32-22-19-29(20-23-32)31(35,27-10-3-1-4-11-27)28-12-5-2-6-13-28/h1-6,10-13,15-18,29,33,35H,7-9,14,19-24H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183076 (1-(4-(2,2-difluoroethyl)phenyl)-4-(4-(hydroxydiphe...) Show SMILES OC(C1CCN(CCCC(=O)c2ccc(CC(F)F)cc2)CC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H33F2NO2/c31-29(32)22-23-13-15-24(16-14-23)28(34)12-7-19-33-20-17-27(18-21-33)30(35,25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-6,8-11,13-16,27,29,35H,7,12,17-22H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183086 (3-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)b...) Show SMILES CC(=O)OCCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H39NO4/c1-26(35)38-25-9-10-27-16-18-28(19-17-27)32(36)15-8-22-34-23-20-31(21-24-34)33(37,29-11-4-2-5-12-29)30-13-6-3-7-14-30/h2-7,11-14,16-19,31,37H,8-10,15,20-25H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183081 (1-(4-bromophenyl)-4-(4-(hydroxydiphenylmethyl)pipe...) Show SMILES OC(C1CCN(CCCC(=O)c2ccc(Br)cc2)CC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H30BrNO2/c29-26-15-13-22(14-16-26)27(31)12-7-19-30-20-17-25(18-21-30)28(32,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-11,13-16,25,32H,7,12,17-21H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50183075 (1-(4-allylphenyl)-4-(4-(hydroxydiphenylmethyl)pipe...) Show SMILES OC(C1CCN(CCCC(=O)c2ccc(CC=C)cc2)CC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H35NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h2-8,11-14,16-19,29,34H,1,9-10,15,20-24H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183087 (1-(benzo[d][1,3]dioxol-5-yl)-4-(4-(hydroxydiphenyl...) Show SMILES OC(C1CCN(CCCC(=O)c2ccc3OCOc3c2)CC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H31NO4/c31-26(22-13-14-27-28(20-22)34-21-33-27)12-7-17-30-18-15-25(16-19-30)29(32,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-11,13-14,20,25,32H,7,12,15-19,21H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183083 (4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-m...) Show SMILES COc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H33NO3/c1-33-27-16-14-23(15-17-27)28(31)13-8-20-30-21-18-26(19-22-30)29(32,24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-7,9-12,14-17,26,32H,8,13,18-22H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50183079 (4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-p...) Show SMILES CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H37NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-19,29,34H,2,9-10,15,20-24H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50017376 ((+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylm...) Show SMILES CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50183075 (1-(4-allylphenyl)-4-(4-(hydroxydiphenylmethyl)pipe...) Show SMILES OC(C1CCN(CCCC(=O)c2ccc(CC=C)cc2)CC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H35NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h2-8,11-14,16-19,29,34H,1,9-10,15,20-24H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50183075 (1-(4-allylphenyl)-4-(4-(hydroxydiphenylmethyl)pipe...) Show SMILES OC(C1CCN(CCCC(=O)c2ccc(CC=C)cc2)CC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H35NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h2-8,11-14,16-19,29,34H,1,9-10,15,20-24H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2B6				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50183079 (4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-p...) Show SMILES CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H37NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-19,29,34H,2,9-10,15,20-24H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50183079 (4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-p...) Show SMILES CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H37NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-19,29,34H,2,9-10,15,20-24H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2B6				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50183079 (4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-p...) Show SMILES CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H37NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-19,29,34H,2,9-10,15,20-24H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C8				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50183075 (1-(4-allylphenyl)-4-(4-(hydroxydiphenylmethyl)pipe...) Show SMILES OC(C1CCN(CCCC(=O)c2ccc(CC=C)cc2)CC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H35NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h2-8,11-14,16-19,29,34H,1,9-10,15,20-24H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C8				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair