Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50034169   

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
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50358192 (CHEMBL1921975) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)[C@@](O)(C(C)C)c1cnc[nH]1 |r| Show InChI InChI=1S/C19H21N3O2/c1-12(2)19(24,17-10-21-11-22-17)16-7-6-13-8-15(18(23)20-3)5-4-14(13)9-16/h4-12,24H,1-3H3,(H,20,23)(H,21,22)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of 17,20-lyase activity of human CYP17A1				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Rattus norvegicus (Rat))	BDBM50338363 (CHEMBL1682893 | rac-6-[1-Hydroxy-1-(1H-imidazol-4-...) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1 Show InChI InChI=1S/C19H21N3O2/c1-12(2)19(24,17-10-21-11-22-17)16-7-6-13-8-15(18(23)20-3)5-4-14(13)9-16/h4-12,24H,1-3H3,(H,20,23)(H,21,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of 17,20-lyase activity of Sprague-Dawley rat testicular microsomal CYP17A1 using [1,2-3H]-17a-hydroxyprogesterone as substrate after 15 m...				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50358195 (CHEMBL1921979) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)C1CCn2cncc12 Show InChI InChI=1S/C18H17N3O/c1-19-18(22)15-5-3-12-8-14(4-2-13(12)9-15)16-6-7-21-11-20-10-17(16)21/h2-5,8-11,16H,6-7H2,1H3,(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of 17,20-lyase activity of human CYP17A1				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Rattus norvegicus (Rat))	BDBM50358195 (CHEMBL1921979) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)C1CCn2cncc12 Show InChI InChI=1S/C18H17N3O/c1-19-18(22)15-5-3-12-8-14(4-2-13(12)9-15)16-6-7-21-11-20-10-17(16)21/h2-5,8-11,16H,6-7H2,1H3,(H,19,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of 17,20-lyase activity of Sprague-Dawley rat testicular microsomal CYP17A1 using [1,2-3H]-17a-hydroxyprogesterone as substrate after 15 m...				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50338363 (CHEMBL1682893 | rac-6-[1-Hydroxy-1-(1H-imidazol-4-...) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1 Show InChI InChI=1S/C19H21N3O2/c1-12(2)19(24,17-10-21-11-22-17)16-7-6-13-8-15(18(23)20-3)5-4-14(13)9-16/h4-12,24H,1-3H3,(H,20,23)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of 17,20-lyase activity of human CYP17A1				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50358201 (CHEMBL1921976 | US9611270, orteronel) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)[C@@]1(O)CCn2cncc12 |r| Show InChI InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of 17,20-lyase activity of human CYP17A1				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Steroid 17-alpha-hydroxylase/17,20 lyase (Rattus norvegicus (Rat))	BDBM50358197 (CHEMBL1921981) Show SMILES NC(=O)c1ccc2cc(ccc2c1)C1(O)CCn2cncc12 Show InChI InChI=1S/C17H15N3O2/c18-16(21)13-2-1-12-8-14(4-3-11(12)7-13)17(22)5-6-20-10-19-9-15(17)20/h1-4,7-10,22H,5-6H2,(H2,18,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of 17,20-lyase activity of Sprague-Dawley rat testicular microsomal CYP17A1 using [1,2-3H]-17a-hydroxyprogesterone as substrate after 15 m...				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50358197 (CHEMBL1921981) Show SMILES NC(=O)c1ccc2cc(ccc2c1)C1(O)CCn2cncc12 Show InChI InChI=1S/C17H15N3O2/c18-16(21)13-2-1-12-8-14(4-3-11(12)7-13)17(22)5-6-20-10-19-9-15(17)20/h1-4,7-10,22H,5-6H2,(H2,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of 17,20-lyase activity of human CYP17A1				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50358193 (CHEMBL1921977) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)C1(O)CCn2cncc12 Show InChI InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of 17,20-lyase activity of human CYP17A1				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Steroid 17-alpha-hydroxylase/17,20 lyase (Rattus norvegicus (Rat))	BDBM50358201 (CHEMBL1921976 | US9611270, orteronel) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)[C@@]1(O)CCn2cncc12 |r| Show InChI InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of 17,20-lyase activity of Sprague-Dawley rat testicular microsomal CYP17A1 using [1,2-3H]-17a-hydroxyprogesterone as substrate after 15 m...				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50358202 (CHEMBL1921985) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)[C@]1(O)CCn2cncc12 |r| Show InChI InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of 17,20-lyase activity of human CYP17A1				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Steroid 17-alpha-hydroxylase/17,20 lyase (Rattus norvegicus (Rat))	BDBM50358193 (CHEMBL1921977) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)C1(O)CCn2cncc12 Show InChI InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of 17,20-lyase activity of Sprague-Dawley rat testicular microsomal CYP17A1 using [1,2-3H]-17a-hydroxyprogesterone as substrate after 15 m...				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50358194 (CHEMBL1921978) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)C1(O)c2cncn2CC1(C)C Show InChI InChI=1S/C20H21N3O2/c1-19(2)11-23-12-22-10-17(23)20(19,25)16-7-6-13-8-15(18(24)21-3)5-4-14(13)9-16/h4-10,12,25H,11H2,1-3H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of 17,20-lyase activity of human CYP17A1				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Rattus norvegicus (Rat))	BDBM50358199 (CHEMBL1921983) Show SMILES OC1(CCn2cncc12)c1ccc2cc(ccc2c1)C(=O)NC1CC1 Show InChI InChI=1S/C20H19N3O2/c24-19(22-17-5-6-17)15-2-1-14-10-16(4-3-13(14)9-15)20(25)7-8-23-12-21-11-18(20)23/h1-4,9-12,17,25H,5-8H2,(H,22,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of 17,20-lyase activity of Sprague-Dawley rat testicular microsomal CYP17A1 using [1,2-3H]-17a-hydroxyprogesterone as substrate after 15 m...				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Rattus norvegicus (Rat))	BDBM50358194 (CHEMBL1921978) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)C1(O)c2cncn2CC1(C)C Show InChI InChI=1S/C20H21N3O2/c1-19(2)11-23-12-22-10-17(23)20(19,25)16-7-6-13-8-15(18(24)21-3)5-4-14(13)9-16/h4-10,12,25H,11H2,1-3H3,(H,21,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of 17,20-lyase activity of Sprague-Dawley rat testicular microsomal CYP17A1 using [1,2-3H]-17a-hydroxyprogesterone as substrate after 15 m...				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Rattus norvegicus (Rat))	BDBM50358198 (CHEMBL1921982) Show SMILES CCNC(=O)c1ccc2cc(ccc2c1)C1(O)CCn2cncc12 Show InChI InChI=1S/C19H19N3O2/c1-2-21-18(23)15-4-3-14-10-16(6-5-13(14)9-15)19(24)7-8-22-12-20-11-17(19)22/h3-6,9-12,24H,2,7-8H2,1H3,(H,21,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of 17,20-lyase activity of Sprague-Dawley rat testicular microsomal CYP17A1 using [1,2-3H]-17a-hydroxyprogesterone as substrate after 15 m...				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Rattus norvegicus (Rat))	BDBM50358200 (CHEMBL1921984) Show SMILES CC(C)NC(=O)c1ccc2cc(ccc2c1)C1(O)CCn2cncc12 Show InChI InChI=1S/C20H21N3O2/c1-13(2)22-19(24)16-4-3-15-10-17(6-5-14(15)9-16)20(25)7-8-23-12-21-11-18(20)23/h3-6,9-13,25H,7-8H2,1-2H3,(H,22,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of 17,20-lyase activity of Sprague-Dawley rat testicular microsomal CYP17A1 using [1,2-3H]-17a-hydroxyprogesterone as substrate after 15 m...				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Rattus norvegicus (Rat))	BDBM50358202 (CHEMBL1921985) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)[C@]1(O)CCn2cncc12 |r| Show InChI InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of 17,20-lyase activity of Sprague-Dawley rat testicular microsomal CYP17A1 using [1,2-3H]-17a-hydroxyprogesterone as substrate after 15 m...				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50358198 (CHEMBL1921982) Show SMILES CCNC(=O)c1ccc2cc(ccc2c1)C1(O)CCn2cncc12 Show InChI InChI=1S/C19H19N3O2/c1-2-21-18(23)15-4-3-14-10-16(6-5-13(14)9-15)19(24)7-8-22-12-20-11-17(19)22/h3-6,9-12,24H,2,7-8H2,1H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of 17,20-lyase activity of human CYP17A1				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50358199 (CHEMBL1921983) Show SMILES OC1(CCn2cncc12)c1ccc2cc(ccc2c1)C(=O)NC1CC1 Show InChI InChI=1S/C20H19N3O2/c24-19(22-17-5-6-17)15-2-1-14-10-16(4-3-13(14)9-15)20(25)7-8-23-12-21-11-18(20)23/h1-4,9-12,17,25H,5-8H2,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of 17,20-lyase activity of human CYP17A1				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50358200 (CHEMBL1921984) Show SMILES CC(C)NC(=O)c1ccc2cc(ccc2c1)C1(O)CCn2cncc12 Show InChI InChI=1S/C20H21N3O2/c1-13(2)22-19(24)16-4-3-15-10-17(6-5-14(15)9-16)20(25)7-8-23-12-21-11-18(20)23/h3-6,9-13,25H,7-8H2,1-2H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of 17,20-lyase activity of human CYP17A1				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50358196 (CHEMBL1921980) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)C(C)(O)c1cncn1C Show InChI InChI=1S/C18H19N3O2/c1-18(23,16-10-20-11-21(16)3)15-7-6-12-8-14(17(22)19-2)5-4-13(12)9-15/h4-11,23H,1-3H3,(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of 17,20-lyase activity of human CYP17A1				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Rattus norvegicus (Rat))	BDBM50358196 (CHEMBL1921980) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)C(C)(O)c1cncn1C Show InChI InChI=1S/C18H19N3O2/c1-18(23,16-10-20-11-21(16)3)15-7-6-12-8-14(17(22)19-2)5-4-13(12)9-15/h4-11,23H,1-3H3,(H,19,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of 17,20-lyase activity of Sprague-Dawley rat testicular microsomal CYP17A1 using [1,2-3H]-17a-hydroxyprogesterone as substrate after 15 m...				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50358195 (CHEMBL1921979) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)C1CCn2cncc12 Show InChI InChI=1S/C18H17N3O/c1-19-18(22)15-5-3-12-8-14(4-2-13(12)9-15)16-6-7-21-11-20-10-17(16)21/h2-5,8-11,16H,6-7H2,1H3,(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 assessed as conversion of testosterone into 6-hydroxytestosterone after 30 mins by HPLC analysis				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50358194 (CHEMBL1921978) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)C1(O)c2cncn2CC1(C)C Show InChI InChI=1S/C20H21N3O2/c1-19(2)11-23-12-22-10-17(23)20(19,25)16-7-6-13-8-15(18(24)21-3)5-4-14(13)9-16/h4-10,12,25H,11H2,1-3H3,(H,21,24)	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	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 assessed as conversion of testosterone into 6-hydroxytestosterone after 30 mins by HPLC analysis				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50338363 (CHEMBL1682893 | rac-6-[1-Hydroxy-1-(1H-imidazol-4-...) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1 Show InChI InChI=1S/C19H21N3O2/c1-12(2)19(24,17-10-21-11-22-17)16-7-6-13-8-15(18(23)20-3)5-4-14(13)9-16/h4-12,24H,1-3H3,(H,20,23)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 assessed as conversion of testosterone into 6-hydroxytestosterone after 30 mins by HPLC analysis				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50358196 (CHEMBL1921980) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)C(C)(O)c1cncn1C Show InChI InChI=1S/C18H19N3O2/c1-18(23,16-10-20-11-21(16)3)15-7-6-12-8-14(17(22)19-2)5-4-13(12)9-15/h4-11,23H,1-3H3,(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 assessed as conversion of testosterone into 6-hydroxytestosterone after 30 mins by HPLC analysis				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50358192 (CHEMBL1921975) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)[C@@](O)(C(C)C)c1cnc[nH]1 |r| Show InChI InChI=1S/C19H21N3O2/c1-12(2)19(24,17-10-21-11-22-17)16-7-6-13-8-15(18(23)20-3)5-4-14(13)9-16/h4-12,24H,1-3H3,(H,20,23)(H,21,22)/t19-/m0/s1	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	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50358197 (CHEMBL1921981) Show SMILES NC(=O)c1ccc2cc(ccc2c1)C1(O)CCn2cncc12 Show InChI InChI=1S/C17H15N3O2/c18-16(21)13-2-1-12-8-14(4-3-11(12)7-13)17(22)5-6-20-10-19-9-15(17)20/h1-4,7-10,22H,5-6H2,(H2,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 assessed as conversion of testosterone into 6-hydroxytestosterone after 30 mins by HPLC analysis				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50358202 (CHEMBL1921985) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)[C@]1(O)CCn2cncc12 |r| Show InChI InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 assessed as conversion of testosterone into 6-hydroxytestosterone after 30 mins by HPLC analysis				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50358199 (CHEMBL1921983) Show SMILES OC1(CCn2cncc12)c1ccc2cc(ccc2c1)C(=O)NC1CC1 Show InChI InChI=1S/C20H19N3O2/c24-19(22-17-5-6-17)15-2-1-14-10-16(4-3-13(14)9-15)20(25)7-8-23-12-21-11-18(20)23/h1-4,9-12,17,25H,5-8H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 assessed as conversion of testosterone into 6-hydroxytestosterone after 30 mins by HPLC analysis				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50358193 (CHEMBL1921977) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)C1(O)CCn2cncc12 Show InChI InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 assessed as conversion of testosterone into 6-hydroxytestosterone after 30 mins by HPLC analysis				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50358200 (CHEMBL1921984) Show SMILES CC(C)NC(=O)c1ccc2cc(ccc2c1)C1(O)CCn2cncc12 Show InChI InChI=1S/C20H21N3O2/c1-13(2)22-19(24)16-4-3-15-10-17(6-5-14(15)9-16)20(25)7-8-23-12-21-11-18(20)23/h3-6,9-13,25H,7-8H2,1-2H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 assessed as conversion of testosterone into 6-hydroxytestosterone after 30 mins by HPLC analysis				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50358198 (CHEMBL1921982) Show SMILES CCNC(=O)c1ccc2cc(ccc2c1)C1(O)CCn2cncc12 Show InChI InChI=1S/C19H19N3O2/c1-2-21-18(23)15-4-3-14-10-16(6-5-13(14)9-15)19(24)7-8-22-12-20-11-17(19)22/h3-6,9-12,24H,2,7-8H2,1H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 assessed as conversion of testosterone into 6-hydroxytestosterone after 30 mins by HPLC analysis				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50358201 (CHEMBL1921976 | US9611270, orteronel) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)[C@@]1(O)CCn2cncc12 |r| Show InChI InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human B-lymphoblastoid cell microsomal CYP2C19 assessed as (S)-mephenytoin 4'-hydroxylation preincubated for 5 mins with substrate				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50358201 (CHEMBL1921976 | US9611270, orteronel) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)[C@@]1(O)CCn2cncc12 |r| Show InChI InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human B-lymphoblastoid cell microsomal CYP1A2 assessed as 7-ethoxyresorufin O-deethylation preincubated for 5 mins with substrate				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM50358201 (CHEMBL1921976 | US9611270, orteronel) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)[C@@]1(O)CCn2cncc12 |r| Show InChI InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human B-lymphoblastoid cell microsomal CYP2E1 assessed as 4-nitrophenol hydroxylation preincubated for 5 mins with substrate				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50358201 (CHEMBL1921976 | US9611270, orteronel) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)[C@@]1(O)CCn2cncc12 |r| Show InChI InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human B-lymphoblastoid cell microsomal CYP2D6 assessed as (+)-bufuralol 1'-hydroxylation preincubated for 5 mins with substrate				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50358201 (CHEMBL1921976 | US9611270, orteronel) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)[C@@]1(O)CCn2cncc12 |r| Show InChI InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human B-lymphoblastoid cell microsomal CYP2C9 (Arg) assessed as Tolbutamide hydroxylation preincubated for 5 mins with substrate				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50358201 (CHEMBL1921976 | US9611270, orteronel) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)[C@@]1(O)CCn2cncc12 |r| Show InChI InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human B-lymphoblastoid cell microsomal CYP2C8 assessed as Tolbutamide hydroxylation preincubated for 5 mins with substrate				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50358201 (CHEMBL1921976 | US9611270, orteronel) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)[C@@]1(O)CCn2cncc12 |r| Show InChI InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human B-lymphoblastoid cell microsomal CYP2B6 assessed as ethoxycoumarin O-deethylation preincubated for 5 mins with substrate				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50358201 (CHEMBL1921976 | US9611270, orteronel) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)[C@@]1(O)CCn2cncc12 |r| Show InChI InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human B-lymphoblastoid cell microsomal CYP3A4 assessed as testosterone 6beta-hydroxylation preincubated for 5 mins with substrate				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50358201 (CHEMBL1921976 | US9611270, orteronel) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)[C@@]1(O)CCn2cncc12 |r| Show InChI InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human B-lymphoblastoid cell microsomal CYP2A6 assessed as coumarin 7-hydroxylation preincubated for 5 mins with substrate				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50358201 (CHEMBL1921976 | US9611270, orteronel) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)[C@@]1(O)CCn2cncc12 |r| Show InChI InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human B-lymphoblastoid cell microsomal CYP2C9 (Arg) assessed as Tolbutamide hydroxylation preincubated for 5 mins with substrate				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50358201 (CHEMBL1921976 | US9611270, orteronel) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)[C@@]1(O)CCn2cncc12 |r| Show InChI InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair