Compile Data Set for Download or QSAR

Found 179 hits with Last Name = 'mccague' and Initial = 'r'   

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
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50228778 (4,4''-Dihydroxyoctafluoroazobenzene | CHEMBL79036) Show SMILES Oc1c(F)c(F)c(\N=N\c2c(F)c(F)c(O)c(F)c2F)c(F)c1F Show InChI InChI=1S/C12H2F8N2O2/c13-1-5(17)11(23)6(18)2(14)9(1)21-22-10-3(15)7(19)12(24)8(20)4(10)16/h23-24H/b22-21+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding constant of Testosterone-5 alpha-reductase activity at pH 7.4				J Med Chem 33: 2452-5 (1990) BindingDB Entry DOI: 10.7270/Q2ZS2VGM
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50015844 (2,3,5,6-Tetrafluoro-4-pentafluorophenylazo-phenol ...) Show SMILES Oc1c(F)c(F)c(N=Nc2c(F)c(F)c(F)c(F)c2F)c(F)c1F |w:8.8| Show InChI InChI=1S/C12HF9N2O/c13-1-2(14)4(16)10(5(17)3(1)15)22-23-11-6(18)8(20)12(24)9(21)7(11)19/h24H	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of Steroid 17-alpha-hydroxylase/17,20 lyase from rat testes microsomal preparation				J Med Chem 33: 2452-5 (1990) BindingDB Entry DOI: 10.7270/Q2ZS2VGM
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029238 (CHEMBL132072 | Pyridin-4-yl-acetic acid (S)-2,6,6-...) Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C |TLB:7:6:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3/t11-,13?,14?,15?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular C17,20-Lyase.				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029237 (2-Pyridin-4-yl-propionic acid (S)-2,6,6-trimethyl-...) Show SMILES CC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1 |TLB:4:5:12:8| Show InChI InChI=1S/C18H25NO2/c1-11(13-5-7-19-8-6-13)17(20)21-16-10-14-9-15(12(16)2)18(14,3)4/h5-8,11-12,14-16H,9-10H2,1-4H3/t11?,12-,14?,15?,16?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular C17,20-Lyase.				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029237 (2-Pyridin-4-yl-propionic acid (S)-2,6,6-trimethyl-...) Show SMILES CC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1 |TLB:4:5:12:8| Show InChI InChI=1S/C18H25NO2/c1-11(13-5-7-19-8-6-13)17(20)21-16-10-14-9-15(12(16)2)18(14,3)4/h5-8,11-12,14-16H,9-10H2,1-4H3/t11?,12-,14?,15?,16?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular C17,20-Lyase.				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029228 (2-Pyridin-4-yl-butyric acid (S)-2,6,6-trimethyl-bi...) Show SMILES CCC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1 |TLB:5:6:13:9| Show InChI InChI=1S/C19H27NO2/c1-5-15(13-6-8-20-9-7-13)18(21)22-17-11-14-10-16(12(17)2)19(14,3)4/h6-9,12,14-17H,5,10-11H2,1-4H3/t12-,14?,15?,16?,17?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular C17,20-Lyase.				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029228 (2-Pyridin-4-yl-butyric acid (S)-2,6,6-trimethyl-bi...) Show SMILES CCC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1 |TLB:5:6:13:9| Show InChI InChI=1S/C19H27NO2/c1-5-15(13-6-8-20-9-7-13)18(21)22-17-11-14-10-16(12(17)2)19(14,3)4/h6-9,12,14-17H,5,10-11H2,1-4H3/t12-,14?,15?,16?,17?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular C17,20-Lyase.				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029240 (2-Methyl-2-pyridin-4-yl-propionic acid (S)-2,6,6-t...) Show SMILES C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1ccncc1)C2(C)C |TLB:7:6:19:3| Show InChI InChI=1S/C19H27NO2/c1-12-15-10-14(18(15,2)3)11-16(12)22-17(21)19(4,5)13-6-8-20-9-7-13/h6-9,12,14-16H,10-11H2,1-5H3/t12-,14?,15?,16?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular C17,20-Lyase.				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029229 (2-Methyl-2-pyridin-3-yl-propionic acid adamantan-1...) Show SMILES CC(C)(C(=O)OC12CC3CC(CC(C3)C1)C2)c1cccnc1 |TLB:9:10:14:8.7.13,13:8:15:12.14.11,13:12:15:8.7.9,THB:9:8:14:10.15.11| Show InChI InChI=1S/C19H25NO2/c1-18(2,16-4-3-5-20-12-16)17(21)22-19-9-13-6-14(10-19)8-15(7-13)11-19/h3-5,12-15H,6-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular C17,20-Lyase.				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029229 (2-Methyl-2-pyridin-3-yl-propionic acid adamantan-1...) Show SMILES CC(C)(C(=O)OC12CC3CC(CC(C3)C1)C2)c1cccnc1 |TLB:9:10:14:8.7.13,13:8:15:12.14.11,13:12:15:8.7.9,THB:9:8:14:10.15.11| Show InChI InChI=1S/C19H25NO2/c1-18(2,16-4-3-5-20-12-16)17(21)22-19-9-13-6-14(10-19)8-15(7-13)11-19/h3-5,12-15H,6-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular C17,20-Lyase.				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029230 (2-Methyl-2-pyridin-3-yl-propionic acid 2-methyl-ad...) Show SMILES CC(C)(C(=O)OC1(C)C2CC3CC(C2)CC1C3)c1cccnc1 |TLB:7:6:10.9.16:12.13.14,5:6:13:10.9.11,16:15:13:10.9.11,THB:7:6:13:10.9.11,5:6:10.9.16:12.13.14,16:10:13:6.15.14,11:10:6:12.13.14,11:12:6:10.9.16,(4.95,-9.51,;4.66,-11.03,;4.37,-12.54,;6.18,-11.31,;6.68,-12.77,;7.18,-10.15,;8.69,-10.43,;8.91,-11.96,;10.07,-9.74,;10.07,-8.34,;10.91,-6.87,;12.28,-7.56,;12.28,-8.96,;11.44,-10.43,;10.91,-9.66,;9.53,-8.96,;9.53,-7.56,;3.15,-10.74,;2.64,-9.28,;1.13,-9,;.12,-10.16,;.63,-11.62,;2.14,-11.9,)| Show InChI InChI=1S/C20H27NO2/c1-19(2,15-5-4-6-21-12-15)18(22)23-20(3)16-8-13-7-14(10-16)11-17(20)9-13/h4-6,12-14,16-17H,7-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular C17,20-Lyase.				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029238 (CHEMBL132072 | Pyridin-4-yl-acetic acid (S)-2,6,6-...) Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C |TLB:7:6:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3/t11-,13?,14?,15?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029241 (2-Pyridin-3-yl-propionic acid (S)-2,6,6-trimethyl-...) Show SMILES CC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1cccnc1 |TLB:4:5:12:8| Show InChI InChI=1S/C18H25NO2/c1-11(13-6-5-7-19-10-13)17(20)21-16-9-14-8-15(12(16)2)18(14,3)4/h5-7,10-12,14-16H,8-9H2,1-4H3/t11?,12-,14?,15?,16?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular C17,20-Lyase.				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029242 (2-Methyl-2-pyridin-3-yl-propionic acid (S)-2,6,6-t...) Show SMILES C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1cccnc1)C2(C)C |TLB:7:6:19:3| Show InChI InChI=1S/C19H27NO2/c1-12-15-9-14(18(15,2)3)10-16(12)22-17(21)19(4,5)13-7-6-8-20-11-13/h6-8,11-12,14-16H,9-10H2,1-5H3/t12-,14?,15?,16?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular C17,20-Lyase.				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029242 (2-Methyl-2-pyridin-3-yl-propionic acid (S)-2,6,6-t...) Show SMILES C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1cccnc1)C2(C)C |TLB:7:6:19:3| Show InChI InChI=1S/C19H27NO2/c1-12-15-9-14(18(15,2)3)10-16(12)22-17(21)19(4,5)13-7-6-8-20-11-13/h6-8,11-12,14-16H,9-10H2,1-5H3/t12-,14?,15?,16?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular C17,20-Lyase.				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029240 (2-Methyl-2-pyridin-4-yl-propionic acid (S)-2,6,6-t...) Show SMILES C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1ccncc1)C2(C)C |TLB:7:6:19:3| Show InChI InChI=1S/C19H27NO2/c1-12-15-10-14(18(15,2)3)11-16(12)22-17(21)19(4,5)13-6-8-20-9-7-13/h6-9,12,14-16H,10-11H2,1-5H3/t12-,14?,15?,16?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029226 (2-Pyridin-3-yl-propionic acid adamantan-1-yl ester...) Show SMILES CC(C(=O)OC12CC3CC(CC(C3)C1)C2)c1cccnc1 |TLB:8:9:13:7.6.12,12:7:14:11.13.10,12:11:14:7.6.8,THB:8:7:13:9.14.10| Show InChI InChI=1S/C18H23NO2/c1-12(16-3-2-4-19-11-16)17(20)21-18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,11-15H,5-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular C17,20-Lyase.				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029226 (2-Pyridin-3-yl-propionic acid adamantan-1-yl ester...) Show SMILES CC(C(=O)OC12CC3CC(CC(C3)C1)C2)c1cccnc1 |TLB:8:9:13:7.6.12,12:7:14:11.13.10,12:11:14:7.6.8,THB:8:7:13:9.14.10| Show InChI InChI=1S/C18H23NO2/c1-12(16-3-2-4-19-11-16)17(20)21-18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,11-15H,5-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular C17,20-Lyase.				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029236 (2-Ethyl-2-pyridin-4-yl-butyric acid (S)-2,6,6-trim...) Show SMILES CCC(CC)(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1 |TLB:7:8:15:11| Show InChI InChI=1S/C21H31NO2/c1-6-21(7-2,15-8-10-22-11-9-15)19(23)24-18-13-16-12-17(14(18)3)20(16,4)5/h8-11,14,16-18H,6-7,12-13H2,1-5H3/t14-,16?,17?,18?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular C17,20-Lyase.				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029227 (CHEMBL135095 | Pyridin-3-yl-acetic acid (3R,6R)-3,...) Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1cccnc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9| Show InChI InChI=1S/C22H31NO2/c1-15-7-8-17-20(2,3)18-13-22(15,17)10-9-21(18,4)25-19(24)12-16-6-5-11-23-14-16/h5-6,11,14-15,17-18H,7-10,12-13H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular C17,20-Lyase.				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029227 (CHEMBL135095 | Pyridin-3-yl-acetic acid (3R,6R)-3,...) Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1cccnc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9| Show InChI InChI=1S/C22H31NO2/c1-15-7-8-17-20(2,3)18-13-22(15,17)10-9-21(18,4)25-19(24)12-16-6-5-11-23-14-16/h5-6,11,14-15,17-18H,7-10,12-13H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular C17,20-Lyase.				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Rattus norvegicus (Rat))	BDBM50029242 (2-Methyl-2-pyridin-3-yl-propionic acid (S)-2,6,6-t...) Show SMILES C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1cccnc1)C2(C)C |TLB:7:6:19:3| Show InChI InChI=1S/C19H27NO2/c1-12-15-9-14(18(15,2)3)10-16(12)22-17(21)19(4,5)13-7-6-8-20-11-13/h6-8,11-12,14-16H,9-10H2,1-5H3/t12-,14?,15?,16?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Inhibition of rat testicular Steroid 17-alpha-hydroxylase/17,20 lyase				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Rattus norvegicus (Rat))	BDBM50029242 (2-Methyl-2-pyridin-3-yl-propionic acid (S)-2,6,6-t...) Show SMILES C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1cccnc1)C2(C)C |TLB:7:6:19:3| Show InChI InChI=1S/C19H27NO2/c1-12-15-9-14(18(15,2)3)10-16(12)22-17(21)19(4,5)13-7-6-8-20-11-13/h6-8,11-12,14-16H,9-10H2,1-5H3/t12-,14?,15?,16?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Inhibition of rat testicular C17,20-Lyase				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029232 (CHEMBL134442 | Pyridin-4-yl-acetic acid (3R,6R)-3,...) Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1ccncc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9| Show InChI InChI=1S/C22H31NO2/c1-15-5-6-17-20(2,3)18-14-22(15,17)10-9-21(18,4)25-19(24)13-16-7-11-23-12-8-16/h7-8,11-12,15,17-18H,5-6,9-10,13-14H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular C17,20-Lyase.				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM31768 (CHEMBL295698 | Ketoconazole | Nizoral | Panfungol) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM31768 (CHEMBL295698 | Ketoconazole | Nizoral | Panfungol) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50029230 (2-Methyl-2-pyridin-3-yl-propionic acid 2-methyl-ad...) Show SMILES CC(C)(C(=O)OC1(C)C2CC3CC(C2)CC1C3)c1cccnc1 |TLB:7:6:10.9.16:12.13.14,5:6:13:10.9.11,16:15:13:10.9.11,THB:7:6:13:10.9.11,5:6:10.9.16:12.13.14,16:10:13:6.15.14,11:10:6:12.13.14,11:12:6:10.9.16,(4.95,-9.51,;4.66,-11.03,;4.37,-12.54,;6.18,-11.31,;6.68,-12.77,;7.18,-10.15,;8.69,-10.43,;8.91,-11.96,;10.07,-9.74,;10.07,-8.34,;10.91,-6.87,;12.28,-7.56,;12.28,-8.96,;11.44,-10.43,;10.91,-9.66,;9.53,-8.96,;9.53,-7.56,;3.15,-10.74,;2.64,-9.28,;1.13,-9,;.12,-10.16,;.63,-11.62,;2.14,-11.9,)| Show InChI InChI=1S/C20H27NO2/c1-19(2,15-5-4-6-21-12-15)18(22)23-20(3)16-8-13-7-14(10-16)11-17(20)9-13/h4-6,12-14,16-17H,7-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human placental Cytochrome P450 19A1				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029230 (2-Methyl-2-pyridin-3-yl-propionic acid 2-methyl-ad...) Show SMILES CC(C)(C(=O)OC1(C)C2CC3CC(C2)CC1C3)c1cccnc1 |TLB:7:6:10.9.16:12.13.14,5:6:13:10.9.11,16:15:13:10.9.11,THB:7:6:13:10.9.11,5:6:10.9.16:12.13.14,16:10:13:6.15.14,11:10:6:12.13.14,11:12:6:10.9.16,(4.95,-9.51,;4.66,-11.03,;4.37,-12.54,;6.18,-11.31,;6.68,-12.77,;7.18,-10.15,;8.69,-10.43,;8.91,-11.96,;10.07,-9.74,;10.07,-8.34,;10.91,-6.87,;12.28,-7.56,;12.28,-8.96,;11.44,-10.43,;10.91,-9.66,;9.53,-8.96,;9.53,-7.56,;3.15,-10.74,;2.64,-9.28,;1.13,-9,;.12,-10.16,;.63,-11.62,;2.14,-11.9,)| Show InChI InChI=1S/C20H27NO2/c1-19(2,15-5-4-6-21-12-15)18(22)23-20(3)16-8-13-7-14(10-16)11-17(20)9-13/h4-6,12-14,16-17H,7-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular C17,20-Lyase.				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029241 (2-Pyridin-3-yl-propionic acid (S)-2,6,6-trimethyl-...) Show SMILES CC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1cccnc1 |TLB:4:5:12:8| Show InChI InChI=1S/C18H25NO2/c1-11(13-6-5-7-19-10-13)17(20)21-16-9-14-8-15(12(16)2)18(14,3)4/h5-7,10-12,14-16H,8-9H2,1-4H3/t11?,12-,14?,15?,16?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029239 (CHEMBL131984 | Pyridin-3-yl-acetic acid (S)-2,6,6-...) Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1cccnc1)C2(C)C |TLB:7:6:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-8-13(17(14,2)3)9-15(11)20-16(19)7-12-5-4-6-18-10-12/h4-6,10-11,13-15H,7-9H2,1-3H3/t11-,13?,14?,15?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular C17,20-Lyase.				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014462 (CHEMBL104047 | Pyridin-4-yl-acetic acid adamantan-...) Show SMILES O=C(Cc1ccncc1)OC12CC3CC(CC(C3)C1)C2 |THB:18:10:13:16.17.15,18:16:10.11.19:13,15:16:11:14.19.13,15:14:11:16.18.17| Show InChI InChI=1S/C17H21NO2/c19-16(8-12-1-3-18-4-2-12)20-17-9-13-5-14(10-17)7-15(6-13)11-17/h1-4,13-15H,5-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A1.				J Med Chem 33: 3050-5 (1990) BindingDB Entry DOI: 10.7270/Q23N22CM
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014449 ((1R,2R,3R,5S)-(-)-Pyridin-4-yl-acetic acid 2,6,6-t...) Show SMILES CC1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C |TLB:7:6:17:3,THB:0:1:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A1.				J Med Chem 33: 3050-5 (1990) BindingDB Entry DOI: 10.7270/Q23N22CM
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014449 ((1R,2R,3R,5S)-(-)-Pyridin-4-yl-acetic acid 2,6,6-t...) Show SMILES CC1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C |TLB:7:6:17:3,THB:0:1:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Concentration required to inhibit 50% activity of rat testicular Cytochrome P450 steroid 17alpha-hydroxylase/17,20 lyase was determined				J Med Chem 33: 3050-5 (1990) BindingDB Entry DOI: 10.7270/Q23N22CM
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014456 ((+)-Pyridin-4-yl-acetic acid 1,7,7-trimethyl-bicyc...) Show SMILES CC1(C)C2CCC1(C)C(C2)OC(=O)Cc1ccncc1 Show InChI InChI=1S/C17H23NO2/c1-16(2)13-4-7-17(16,3)14(11-13)20-15(19)10-12-5-8-18-9-6-12/h5-6,8-9,13-14H,4,7,10-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Concentration required to inhibit 50% activity of rat testicular Cytochrome P450 steroid 17alpha-hydroxylase/17,20 lyase was determined				J Med Chem 33: 3050-5 (1990) BindingDB Entry DOI: 10.7270/Q23N22CM
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014456 ((+)-Pyridin-4-yl-acetic acid 1,7,7-trimethyl-bicyc...) Show SMILES CC1(C)C2CCC1(C)C(C2)OC(=O)Cc1ccncc1 Show InChI InChI=1S/C17H23NO2/c1-16(2)13-4-7-17(16,3)14(11-13)20-15(19)10-12-5-8-18-9-6-12/h5-6,8-9,13-14H,4,7,10-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A1.				J Med Chem 33: 3050-5 (1990) BindingDB Entry DOI: 10.7270/Q23N22CM
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014457 (CHEMBL101743 | Pyridin-4-yl-acetic acid 4-ethyl-cy...) Show SMILES CCC1CCC(CC1)OC(=O)Cc1ccncc1 |(-2.68,-8.66,;-1.35,-7.89,;-.02,-8.68,;-.02,-10.22,;1.31,-11,;2.64,-10.23,;2.64,-8.69,;1.33,-7.92,;3.97,-11,;5.3,-10.23,;5.3,-8.69,;6.63,-11,;7.98,-10.23,;9.31,-11,;10.65,-10.23,;10.65,-8.69,;9.31,-7.92,;7.98,-8.69,)| Show InChI InChI=1S/C15H21NO2/c1-2-12-3-5-14(6-4-12)18-15(17)11-13-7-9-16-10-8-13/h7-10,12,14H,2-6,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A1.				J Med Chem 33: 3050-5 (1990) BindingDB Entry DOI: 10.7270/Q23N22CM
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50029238 (CHEMBL132072 | Pyridin-4-yl-acetic acid (S)-2,6,6-...) Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C |TLB:7:6:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3/t11-,13?,14?,15?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human placental Cytochrome P450 19A1				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029233 (CHEMBL135037 | Pyridin-3-yl-acetic acid adamantan-...) Show SMILES O=C(Cc1cccnc1)OC12CC3CC(CC(C3)C1)C2 |THB:18:10:13:16.17.15,18:16:10.11.19:13,15:16:11:14.19.13,15:14:11:16.18.17| Show InChI InChI=1S/C17H21NO2/c19-16(7-12-2-1-3-18-11-12)20-17-8-13-4-14(9-17)6-15(5-13)10-17/h1-3,11,13-15H,4-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular C17,20-Lyase.				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029236 (2-Ethyl-2-pyridin-4-yl-butyric acid (S)-2,6,6-trim...) Show SMILES CCC(CC)(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1 |TLB:7:8:15:11| Show InChI InChI=1S/C21H31NO2/c1-6-21(7-2,15-8-10-22-11-9-15)19(23)24-18-13-16-12-17(14(18)3)20(16,4)5/h8-11,14,16-18H,6-7,12-13H2,1-5H3/t14-,16?,17?,18?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014451 ((+)-Pyridin-4-yl-acetic acid 2-isopropyl-5-methyl-...) Show SMILES CC(C)C1CCC(C)CC1OC(=O)Cc1ccncc1 Show InChI InChI=1S/C17H25NO2/c1-12(2)15-5-4-13(3)10-16(15)20-17(19)11-14-6-8-18-9-7-14/h6-9,12-13,15-16H,4-5,10-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A1.				J Med Chem 33: 3050-5 (1990) BindingDB Entry DOI: 10.7270/Q23N22CM
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014451 ((+)-Pyridin-4-yl-acetic acid 2-isopropyl-5-methyl-...) Show SMILES CC(C)C1CCC(C)CC1OC(=O)Cc1ccncc1 Show InChI InChI=1S/C17H25NO2/c1-12(2)15-5-4-13(3)10-16(15)20-17(19)11-14-6-8-18-9-7-14/h6-9,12-13,15-16H,4-5,10-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A1.				J Med Chem 33: 3050-5 (1990) BindingDB Entry DOI: 10.7270/Q23N22CM
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029239 (CHEMBL131984 | Pyridin-3-yl-acetic acid (S)-2,6,6-...) Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1cccnc1)C2(C)C |TLB:7:6:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-8-13(17(14,2)3)9-15(11)20-16(19)7-12-5-4-6-18-10-12/h4-6,10-11,13-15H,7-9H2,1-3H3/t11-,13?,14?,15?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Rattus norvegicus (Rat))	BDBM50029238 (CHEMBL132072 | Pyridin-4-yl-acetic acid (S)-2,6,6-...) Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C |TLB:7:6:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3/t11-,13?,14?,15?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Inhibition of rat testicular Steroid 17-alpha-hydroxylase/17,20 lyase				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029232 (CHEMBL134442 | Pyridin-4-yl-acetic acid (3R,6R)-3,...) Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1ccncc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9| Show InChI InChI=1S/C22H31NO2/c1-15-5-6-17-20(2,3)18-14-22(15,17)10-9-21(18,4)25-19(24)13-16-7-11-23-12-8-16/h7-8,11-12,15,17-18H,5-6,9-10,13-14H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Rattus norvegicus (Rat))	BDBM50029238 (CHEMBL132072 | Pyridin-4-yl-acetic acid (S)-2,6,6-...) Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C |TLB:7:6:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3/t11-,13?,14?,15?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Inhibition of rat testicular C17,20-Lyase				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014448 (CHEMBL102409 | Pyridin-4-yl-acetic acid cyclohexyl...) Show SMILES O=C(Cc1ccncc1)OC1CCCCC1 Show InChI InChI=1S/C13H17NO2/c15-13(10-11-6-8-14-9-7-11)16-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A1.				J Med Chem 33: 3050-5 (1990) BindingDB Entry DOI: 10.7270/Q23N22CM
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014458 (CHEMBL102884 | Pyridin-4-yl-acetic acid 4-tert-but...) Show SMILES CC(C)(C)C1CCC(CC1)OC(=O)Cc1ccncc1 |(-2.68,-8.66,;-1.35,-7.89,;-1.33,-6.35,;-.95,-9.39,;-.02,-8.68,;-.02,-10.22,;1.31,-11,;2.64,-10.23,;2.64,-8.69,;1.33,-7.92,;3.97,-11,;5.3,-10.23,;5.3,-8.69,;6.63,-11,;7.98,-10.23,;9.31,-11,;10.65,-10.23,;10.65,-8.69,;9.31,-7.92,;7.98,-8.69,)| Show InChI InChI=1S/C17H25NO2/c1-17(2,3)14-4-6-15(7-5-14)20-16(19)12-13-8-10-18-11-9-13/h8-11,14-15H,4-7,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A1.				J Med Chem 33: 3050-5 (1990) BindingDB Entry DOI: 10.7270/Q23N22CM
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029235 (CHEMBL3084924 | Pyridin-3-yl-acetic acid 2-methyl-...) Show SMILES CC1(OC(=O)Cc2cccnc2)C2CC3CC(C2)CC1C3 |TLB:17:12:20:16.18.15,17:16:1.12.13:20,0:1:14.13.20:16.18.17,THB:2:1:14.13.20:16.18.17,2:1:20:16.18.15,15:14:1:16.18.17,15:16:1:14.13.20,(3.25,-8.58,;4.78,-8.43,;4.56,-9.95,;5.77,-10.91,;7.2,-10.33,;5.55,-12.43,;6.76,-13.38,;8.19,-12.81,;9.4,-13.76,;9.18,-15.29,;7.75,-15.86,;6.54,-14.91,;5.62,-6.95,;6.99,-7.65,;8.37,-6.95,;8.37,-5.56,;6.99,-4.86,;5.62,-5.56,;6.15,-6.33,;6.15,-7.73,;7.53,-8.43,)| Show InChI InChI=1S/C18H23NO2/c1-18(21-17(20)10-12-3-2-4-19-11-12)15-6-13-5-14(8-15)9-16(18)7-13/h2-4,11,13-16H,5-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular C17,20-Lyase.				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50003134 (3-Octyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dione...) Show SMILES CCCCCCCC[C@@]1(CCC(=O)NC1=O)c1ccncc1 Show InChI InChI=1S/C18H26N2O2/c1-2-3-4-5-6-7-11-18(15-9-13-19-14-10-15)12-8-16(21)20-17(18)22/h9-10,13-14H,2-8,11-12H2,1H3,(H,20,21,22)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1 in human placenta				J Med Chem 33: 2673-9 (1990) BindingDB Entry DOI: 10.7270/Q29Z93WC
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50029232 (CHEMBL134442 | Pyridin-4-yl-acetic acid (3R,6R)-3,...) Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1ccncc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9| Show InChI InChI=1S/C22H31NO2/c1-15-5-6-17-20(2,3)18-14-22(15,17)10-9-21(18,4)25-19(24)13-16-7-11-23-12-8-16/h7-8,11-12,15,17-18H,5-6,9-10,13-14H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human placental Cytochrome P450 19A1				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair

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