Compile Data Set for Download or QSAR

Found 1212 hits of ic50 for UniProtKB: P05093   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50203332 (CHEMBL3913908) Show SMILES CCS(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H30Cl2N4O5S/c1-2-38(33,34)32-13-11-31(12-14-32)21-4-6-22(7-5-21)35-16-23-17-36-26(37-23,18-30-10-9-29-19-30)24-8-3-20(27)15-25(24)28/h3-10,15,19,23H,2,11-14,16-18H2,1H3/t23-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant CYP17 (unknown origin) overexpressed in human AD293 cells using [21-3H]17alpha-hydroxyl-pregenolone as substrate preincubat...				Bioorg Med Chem Lett 26: 5825-5829 (2016) Article DOI: 10.1016/j.bmcl.2016.10.016 BindingDB Entry DOI: 10.7270/Q2X63PW4
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM144614 (US8969586, 1 | US9598436, 1) Show SMILES Cc1ccncc1-c1cccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C19H14N2O/c1-13-10-11-20-12-17(13)15-8-5-9-16-18(21-22-19(15)16)14-6-3-2-4-7-14/h2-12H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against Melatonin receptor using ovine pars tuberalis membranes of the pituitary.				Citation and Details
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM314731 (US9611270, Example 21) Show SMILES CC(=O)N1CC[C@H]2[C@@H]3CC=C(c4cccnc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@H]12 |r,t:9| Show InChI InChI=1S/C26H36N2O2/c1-17(29)28-14-10-20-22-7-6-21(18-5-4-13-27-16-18)25(22,2)12-9-23(20)26(3)11-8-19(30)15-24(26)28/h4-6,13,16,19-20,22-24,30H,7-12,14-15H2,1-3H3/t19-,20-,22-,23-,24-,25+,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF KANSAS US Patent					Assay Description Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for...				US Patent US9611270 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KTZ
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50274157 (CHEMBL4127656) Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(c2)-c2ccncc2)cc1 Show InChI InChI=1S/C26H28FN3O2S/c1-20(2)33(31,32)30-15-13-29(14-16-30)26-7-5-21(6-8-26)3-4-22-17-24(19-25(27)18-22)23-9-11-28-12-10-23/h3-12,17-20H,13-16H2,1-2H3/b4-3+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...				Bioorg Med Chem Lett 28: 2270-2274 (2018) Article DOI: 10.1016/j.bmcl.2018.05.040 BindingDB Entry DOI: 10.7270/Q2RJ4N0B
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50274165 (CHEMBL4126996) Show SMILES Fc1cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)C2CC2)cc(c1)-c1ccncc1 Show InChI InChI=1S/C26H26FN3O2S/c27-24-18-21(17-23(19-24)22-9-11-28-12-10-22)2-1-20-3-5-25(6-4-20)29-13-15-30(16-14-29)33(31,32)26-7-8-26/h1-6,9-12,17-19,26H,7-8,13-16H2/b2-1+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...				Bioorg Med Chem Lett 28: 2270-2274 (2018) Article DOI: 10.1016/j.bmcl.2018.05.040 BindingDB Entry DOI: 10.7270/Q2RJ4N0B
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM144614 (US8969586, 1 | US9598436, 1) Show SMILES Cc1ccncc1-c1cccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C19H14N2O/c1-13-10-11-20-12-17(13)15-8-5-9-16-18(21-22-19(15)16)14-6-3-2-4-7-14/h2-12H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 μl prepared from 7.5 μl additions of microsomes (p...				US Patent US9598436 (2017) BindingDB Entry DOI: 10.7270/Q22809N7
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM144614 (US8969586, 1 | US9598436, 1) Show SMILES Cc1ccncc1-c1cccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C19H14N2O/c1-13-10-11-20-12-17(13)15-8-5-9-16-18(21-22-19(15)16)14-6-3-2-4-7-14/h2-12H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.2	25
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 μl prepared from 7.5 μl additions of microsomes (p...				US Patent US8969586 (2015) BindingDB Entry DOI: 10.7270/Q2MW2FVH
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM140958 (US8916553, 198) Show SMILES Cc1cc(NS(C)(=O)=O)ccc1-c1cnccc1OCC(F)(F)F Show InChI InChI=1S/C15H15F3N2O3S/c1-10-7-11(20-24(2,21)22)3-4-12(10)13-8-19-6-5-14(13)23-9-15(16,17)18/h3-8,20H,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.2	4
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as...				US Patent US8916553 (2014) BindingDB Entry DOI: 10.7270/Q2XP73N9
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50031677 ((S)-13-Methyl-17-pyridin-3-yl-7,8,9,11,12,13,14,15...) Show SMILES C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC=C2c1cccnc1 |c:20| Show InChI InChI=1S/C23H25NO/c1-23-11-10-19-18-7-5-17(25)13-15(18)4-6-20(19)22(23)9-8-21(23)16-3-2-12-24-14-16/h2-3,5,7-8,12-14,19-20,22,25H,4,6,9-11H2,1H3/t19?,20?,22?,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Ability to inhibit the C17,20-lyase enzyme by 50% using 17-alpha-hydroxyprogesterone as substrate.				J Med Chem 38: 2463-71 (1995) BindingDB Entry DOI: 10.7270/Q20K27KR
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50052668 (Adamantane-1-carboxylic acid (S)-1-pyridin-4-yl-et...) Show SMILES C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1 |TLB:12:7:14:13.11.10,12:11:14:6.7.8,THB:10:11:6:14.9.8,10:9:6:13.11.12| Show InChI InChI=1S/C18H23NO2/c1-12(16-2-4-19-5-3-16)21-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,12-15H,6-11H2,1H3/t12-,13?,14?,15?,18?/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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Campaign Centre for Cancer Therapeutics Curated by ChEMBL					Assay Description Inhibition of C17,20-lyase enzyme, cytochrome P450 17A1 in Human testicular microsomes				J Med Chem 39: 3319-23 (1996) Article DOI: 10.1021/jm950749y BindingDB Entry DOI: 10.7270/Q2KK99V3
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM158474 (US9029399, 46A | US9339501, 46A) Show SMILES Clc1cc(cc(Cl)n1)N1CCN(C1=O)c1cnccc1C1CC1 Show InChI InChI=1S/C16H14Cl2N4O/c17-14-7-11(8-15(18)20-14)21-5-6-22(16(21)23)13-9-19-4-3-12(13)10-1-2-10/h3-4,7-10H,1-2,5-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...				US Patent US9339501 (2016) BindingDB Entry DOI: 10.7270/Q26T0KG2
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM158474 (US9029399, 46A | US9339501, 46A) Show SMILES Clc1cc(cc(Cl)n1)N1CCN(C1=O)c1cnccc1C1CC1 Show InChI InChI=1S/C16H14Cl2N4O/c17-14-7-11(8-15(18)20-14)21-5-6-22(16(21)23)13-9-19-4-3-12(13)10-1-2-10/h3-4,7-10H,1-2,5-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...				US Patent US9029399 (2015) BindingDB Entry DOI: 10.7270/Q28G8JFD
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50274156 (CHEMBL4128368) Show SMILES Fc1cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)C(F)(F)F)cc(c1)-c1ccncc1 Show InChI InChI=1S/C24H21F4N3O2S/c25-22-16-19(15-21(17-22)20-7-9-29-10-8-20)2-1-18-3-5-23(6-4-18)30-11-13-31(14-12-30)34(32,33)24(26,27)28/h1-10,15-17H,11-14H2/b2-1+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...				Bioorg Med Chem Lett 28: 2270-2274 (2018) Article DOI: 10.1016/j.bmcl.2018.05.040 BindingDB Entry DOI: 10.7270/Q2RJ4N0B
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |t:3,23| Show InChI InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01164 BindingDB Entry DOI: 10.7270/Q2251P5V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	CHEMBL5284599 Show SMILES C[C@H](CS)C(=O)[C@@H]1CCCC[C@H]1C(O)=O Show InChI InChI=1S/C11H18O3S/c1-7(6-15)10(12)8-4-2-3-5-9(8)11(13)14/h7-9,15H,2-6H2,1H3,(H,13,14)/t7-,8-,9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against Melatonin receptor using ovine pars tuberalis membranes of the pituitary.				Citation and Details
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50156232 (CHEMBL3782020) Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1ccccn1 Show InChI InChI=1S/C18H14N4/c1-13-8-10-19-11-15(13)14-5-4-6-17-16(14)12-21-22(17)18-7-2-3-9-20-18/h2-12H,1H3	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM140963 (US8916553, 225) Show SMILES COc1cc(NS(C)(=O)=O)ccc1-c1cnccc1C1CC1 Show InChI InChI=1S/C16H18N2O3S/c1-21-16-9-12(18-22(2,19)20)5-6-14(16)15-10-17-8-7-13(15)11-3-4-11/h5-11,18H,3-4H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	7.2	4
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as...				US Patent US8916553 (2014) BindingDB Entry DOI: 10.7270/Q2XP73N9
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50031666 ((10R,13S)-10,13-Dimethyl-17-pyridin-3-yl-1,2,6,7,8...) Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2c1cccnc1 |c:21,t:8| Show InChI InChI=1S/C24H29NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13-15,19,21-22H,5-6,8-12H2,1-2H3/t19?,21?,22?,23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Ability to inhibit the C17,20-lyase enzyme by 50% using 17-alpha-hydroxyprogesterone as substrate.				J Med Chem 38: 2463-71 (1995) BindingDB Entry DOI: 10.7270/Q20K27KR
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM132182 (USRE45173, 121A) Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2cn[nH]c2c1 Show InChI InChI=1S/C16H15N5O/c1-11-4-5-17-10-15(11)21-7-6-20(16(21)22)13-3-2-12-9-18-19-14(12)8-13/h2-5,8-10H,6-7H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...				US Patent USRE45173 (2014) BindingDB Entry DOI: 10.7270/Q2MW2FT2
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM140959 (US8916553, 217) Show SMILES COc1cc(NS(C)(=O)=O)ccc1-c1cnccc1C Show InChI InChI=1S/C14H16N2O3S/c1-10-6-7-15-9-13(10)12-5-4-11(8-14(12)19-2)16-20(3,17)18/h4-9,16H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	7.2	4
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as...				US Patent US8916553 (2014) BindingDB Entry DOI: 10.7270/Q2XP73N9
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50031669 ((3R,5S,10S,13S)-10,13-Dimethyl-17-pyridin-3-yl-2,3...) Show SMILES C[C@]12CCC3C(CC[C@H]4C[C@H](O)CC[C@]34C)C1CC=C2c1cccnc1 |c:21| Show InChI InChI=1S/C24H33NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13,15,17-19,21-22,26H,5-6,8-12,14H2,1-2H3/t17-,18+,19?,21?,22?,23-,24+/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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Ability to inhibit the C17,20-lyase enzyme by 50% using 17-alpha-hydroxyprogesterone as substrate.				J Med Chem 38: 2463-71 (1995) BindingDB Entry DOI: 10.7270/Q20K27KR
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50031677 ((S)-13-Methyl-17-pyridin-3-yl-7,8,9,11,12,13,14,15...) Show SMILES C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC=C2c1cccnc1 |c:20| Show InChI InChI=1S/C23H25NO/c1-23-11-10-19-18-7-5-17(25)13-15(18)4-6-20(19)22(23)9-8-21(23)16-3-2-12-24-14-16/h2-3,5,7-8,12-14,19-20,22,25H,4,6,9-11H2,1H3/t19?,20?,22?,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Ability to inhibit the Steroid 17-alpha-hydroxylase/17,20 lyase enzyme by 50%.				J Med Chem 38: 2463-71 (1995) BindingDB Entry DOI: 10.7270/Q20K27KR
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM158445 (US9029399, 19A | US9339501, 19A) Show SMILES Cc1coc2ccc(cc12)N1CCN(C1=O)c1cnccc1C1CC1 Show InChI InChI=1S/C20H19N3O2/c1-13-12-25-19-5-4-15(10-17(13)19)22-8-9-23(20(22)24)18-11-21-7-6-16(18)14-2-3-14/h4-7,10-12,14H,2-3,8-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...				US Patent US9029399 (2015) BindingDB Entry DOI: 10.7270/Q28G8JFD
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM158445 (US9029399, 19A | US9339501, 19A) Show SMILES Cc1coc2ccc(cc12)N1CCN(C1=O)c1cnccc1C1CC1 Show InChI InChI=1S/C20H19N3O2/c1-13-12-25-19-5-4-15(10-17(13)19)22-8-9-23(20(22)24)18-11-21-7-6-16(18)14-2-3-14/h4-7,10-12,14H,2-3,8-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...				US Patent US9339501 (2016) BindingDB Entry DOI: 10.7270/Q26T0KG2
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM132216 (USRE45173, 155A | USRE45173, 192A) Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(s1)C(F)(F)F Show InChI InChI=1S/C14H12F3N3OS/c1-9-4-5-18-8-10(9)19-6-7-20(13(19)21)12-3-2-11(22-12)14(15,16)17/h2-5,8H,6-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...				US Patent USRE45173 (2014) BindingDB Entry DOI: 10.7270/Q2MW2FT2
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50052669 (Adamantane-1-carboxylic acid 1-methyl-1-pyridin-4-...) Show SMILES CC(C)(OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1 |TLB:9:10:14:7.8.13,13:8:15:14.12.11,13:12:15:7.8.9,THB:9:8:14:15.10.11| Show InChI InChI=1S/C19H25NO2/c1-18(2,16-3-5-20-6-4-16)22-17(21)19-10-13-7-14(11-19)9-15(8-13)12-19/h3-6,13-15H,7-12H2,1-2H3	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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Campaign Centre for Cancer Therapeutics Curated by ChEMBL					Assay Description Inhibition of C17,20-lyase enzyme, cytochrome P450 17A1 in Human testicular microsomes				J Med Chem 39: 3319-23 (1996) Article DOI: 10.1021/jm950749y BindingDB Entry DOI: 10.7270/Q2KK99V3
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM140936 (US8916553, 147) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(c(OC)c1)-c1cncc2ccccc12 Show InChI InChI=1S/C23H20N2O4S/c1-28-18-8-10-19(11-9-18)30(26,27)25-17-7-12-21(23(13-17)29-2)22-15-24-14-16-5-3-4-6-20(16)22/h3-15,25H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	7.2	4
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as...				US Patent US8916553 (2014) BindingDB Entry DOI: 10.7270/Q2XP73N9
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM132216 (USRE45173, 155A | USRE45173, 192A) Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(s1)C(F)(F)F Show InChI InChI=1S/C14H12F3N3OS/c1-9-4-5-18-8-10(9)19-6-7-20(13(19)21)12-3-2-11(22-12)14(15,16)17/h2-5,8H,6-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...				US Patent USRE45173 (2014) BindingDB Entry DOI: 10.7270/Q2MW2FT2
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50031666 ((10R,13S)-10,13-Dimethyl-17-pyridin-3-yl-1,2,6,7,8...) Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2c1cccnc1 |c:21,t:8| Show InChI InChI=1S/C24H29NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13-15,19,21-22H,5-6,8-12H2,1-2H3/t19?,21?,22?,23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Ability to inhibit the Steroid 17-alpha-hydroxylase/17,20 lyase enzyme by 50%.				J Med Chem 38: 2463-71 (1995) BindingDB Entry DOI: 10.7270/Q20K27KR
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |t:3,23| Show InChI InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Ability to inhibit the C17,20-lyase enzyme by 50% using 17-alpha-hydroxyprogesterone as substrate.				J Med Chem 38: 2463-71 (1995) BindingDB Entry DOI: 10.7270/Q20K27KR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50031665 ((10R,13S)-10,13-Dimethyl-17-pyridin-3-yl-1,6,7,8,9...) Show SMILES C[C@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2c1cccnc1 |c:22,t:9| Show InChI InChI=1S/C24H27NO2/c1-23-10-9-17(26)12-16(23)5-6-18-20-8-7-19(15-4-3-11-25-14-15)24(20,2)13-21(27)22(18)23/h3-4,7,11-12,14,18,20,22H,5-6,8-10,13H2,1-2H3/t18?,20?,22?,23-,24+/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	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Ability to inhibit the C17,20-lyase enzyme by 50% using 17-alpha-hydroxyprogesterone as substrate.				J Med Chem 38: 2463-71 (1995) BindingDB Entry DOI: 10.7270/Q20K27KR
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM140934 (US8916553, 143) Show SMILES COc1cc(NS(=O)(=O)c2ccccc2)ccc1-c1cncc2ccccc12 Show InChI InChI=1S/C22H18N2O3S/c1-27-22-13-17(24-28(25,26)18-8-3-2-4-9-18)11-12-20(22)21-15-23-14-16-7-5-6-10-19(16)21/h2-15,24H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	7.2	4
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as...				US Patent US8916553 (2014) BindingDB Entry DOI: 10.7270/Q2XP73N9
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	CHEMBL5290743 Show SMILES CCCCC[C@@H](O)\C=C\[C@H]1C2CCC(O2)[C@@H]1C\C=C/CCCC(O)=O |TLB:16:15:14:12.11| Show InChI InChI=1S/C21H34O4/c1-2-3-6-9-16(22)12-13-18-17(19-14-15-20(18)25-19)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17-,18-,19?,20?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against Melatonin receptor using ovine pars tuberalis membranes of the pituitary.				Citation and Details
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM132118 (USRE45173, 29A) Show SMILES Cc1coc2ccc(cc12)N1CCN(C1=O)c1cnccc1C Show InChI InChI=1S/C18H17N3O2/c1-12-5-6-19-10-16(12)21-8-7-20(18(21)22)14-3-4-17-15(9-14)13(2)11-23-17/h3-6,9-11H,7-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...				US Patent USRE45173 (2014) BindingDB Entry DOI: 10.7270/Q2MW2FT2
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	CHEMBL5286021 Show SMILES OC(=O)[C@@H]1CC[C@@H]1C(=O)CCS Show InChI InChI=1S/C8H12O3S/c9-7(3-4-12)5-1-2-6(5)8(10)11/h5-6,12H,1-4H2,(H,10,11)/t5-,6+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against Melatonin receptor using ovine pars tuberalis membranes of the pituitary.				Citation and Details
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM314735 (US9611270, Example 32) Show SMILES CN[C@H]1C[C@H]2[C@@H]3CC=C(c4cccnc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)CC12 |r,t:7| Show InChI InChI=1S/C25H36N2O/c1-24-11-9-21-18(20(24)7-6-19(24)16-5-4-12-27-15-16)14-23(26-3)22-13-17(28)8-10-25(21,22)2/h4-6,12,15,17-18,20-23,26,28H,7-11,13-14H2,1-3H3/t17-,18-,20-,21-,22?,23-,24+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF KANSAS US Patent					Assay Description Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for...				US Patent US9611270 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KTZ
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50031676 ((5S,10S,13S)-10,13-Dimethyl-17-pyridin-3-yl-1,2,4,...) Show SMILES C[C@]12CCC3C(CC[C@H]4CC(=O)CC[C@]34C)C1CC=C2c1cccnc1 |c:21| Show InChI InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13,15,17,19,21-22H,5-6,8-12,14H2,1-2H3/t17-,19?,21?,22?,23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Ability to inhibit the C17,20-lyase enzyme by 50% using 17-alpha-hydroxyprogesterone as substrate.				J Med Chem 38: 2463-71 (1995) BindingDB Entry DOI: 10.7270/Q20K27KR
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50031666 ((10R,13S)-10,13-Dimethyl-17-pyridin-3-yl-1,2,6,7,8...) Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2c1cccnc1 |c:21,t:8| Show InChI InChI=1S/C24H29NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13-15,19,21-22H,5-6,8-12H2,1-2H3/t19?,21?,22?,23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human progesterone 17-alpha-hydroxylase.				J Med Chem 41: 5375-81 (1999) Article DOI: 10.1021/jm981017j BindingDB Entry DOI: 10.7270/Q21C1XKW
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50156233 (CHEMBL3780658) Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1cccnn1 Show InChI InChI=1S/C17H13N5/c1-12-7-9-18-10-14(12)13-4-2-5-16-15(13)11-20-22(16)17-6-3-8-19-21-17/h2-11H,1H3	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM144616 (US8969586, 6 | US9598436, 6) Show SMILES Cc1ccncc1-c1cccc2c(noc12)-c1ccc(F)cc1 Show InChI InChI=1S/C19H13FN2O/c1-12-9-10-21-11-17(12)15-3-2-4-16-18(22-23-19(15)16)13-5-7-14(20)8-6-13/h2-11H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 μl prepared from 7.5 μl additions of microsomes (p...				US Patent US9598436 (2017) BindingDB Entry DOI: 10.7270/Q22809N7
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM140964 (US8916553, 228) Show SMILES CS(=O)(=O)Nc1ccc(c(OC(F)(F)F)c1)-c1cncc2ccccc12 Show InChI InChI=1S/C17H13F3N2O3S/c1-26(23,24)22-12-6-7-14(16(8-12)25-17(18,19)20)15-10-21-9-11-4-2-3-5-13(11)15/h2-10,22H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	7.2	4
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as...				US Patent US8916553 (2014) BindingDB Entry DOI: 10.7270/Q2XP73N9
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM144616 (US8969586, 6 | US9598436, 6) Show SMILES Cc1ccncc1-c1cccc2c(noc12)-c1ccc(F)cc1 Show InChI InChI=1S/C19H13FN2O/c1-12-9-10-21-11-17(12)15-3-2-4-16-18(22-23-19(15)16)13-5-7-14(20)8-6-13/h2-11H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	7.2	25
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 μl prepared from 7.5 μl additions of microsomes (p...				US Patent US8969586 (2015) BindingDB Entry DOI: 10.7270/Q2MW2FVH
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50052668 (Adamantane-1-carboxylic acid (S)-1-pyridin-4-yl-et...) Show SMILES C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1 |TLB:12:7:14:13.11.10,12:11:14:6.7.8,THB:10:11:6:14.9.8,10:9:6:13.11.12| Show InChI InChI=1S/C18H23NO2/c1-12(16-2-4-19-5-3-16)21-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,12-15H,6-11H2,1H3/t12-,13?,14?,15?,18?/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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Campaign Centre for Cancer Therapeutics Curated by ChEMBL					Assay Description Inhibition of 17-alpha-hydroxylase enzyme, cytochrome P450 17A1 of human testicular microsomes				J Med Chem 39: 3319-23 (1996) Article DOI: 10.1021/jm950749y BindingDB Entry DOI: 10.7270/Q2KK99V3
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM140953 (US8916553, 173) Show SMILES COc1cc(NS(=O)(=O)Cc2ccc(Cl)cc2)ccc1-c1cncnc1C Show InChI InChI=1S/C19H18ClN3O3S/c1-13-18(10-21-12-22-13)17-8-7-16(9-19(17)26-2)23-27(24,25)11-14-3-5-15(20)6-4-14/h3-10,12,23H,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	7.2	4
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as...				US Patent US8916553 (2014) BindingDB Entry DOI: 10.7270/Q2XP73N9
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM132220 (USRE45173, 159A | USRE45173, 196A) Show SMILES CCc1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1 Show InChI InChI=1S/C17H16N4OS/c1-2-12-5-6-18-10-15(12)21-8-7-20(17(21)22)13-3-4-14-16(9-13)23-11-19-14/h3-6,9-11H,2,7-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...				US Patent USRE45173 (2014) BindingDB Entry DOI: 10.7270/Q2MW2FT2
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM132220 (USRE45173, 159A | USRE45173, 196A) Show SMILES CCc1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1 Show InChI InChI=1S/C17H16N4OS/c1-2-12-5-6-18-10-15(12)21-8-7-20(17(21)22)13-3-4-14-16(9-13)23-11-19-14/h3-6,9-11H,2,7-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...				US Patent USRE45173 (2014) BindingDB Entry DOI: 10.7270/Q2MW2FT2
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50203339 (CHEMBL3922888) Show SMILES Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)C2CC2)O1 |r| Show InChI InChI=1S/C27H30Cl2N4O5S/c28-20-1-8-25(26(29)15-20)27(18-31-10-9-30-19-31)37-17-23(38-27)16-36-22-4-2-21(3-5-22)32-11-13-33(14-12-32)39(34,35)24-6-7-24/h1-5,8-10,15,19,23-24H,6-7,11-14,16-18H2/t23-,27-/m1/s1	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	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant CYP17 (unknown origin) overexpressed in human AD293 cells using [21-3H]17alpha-hydroxyl-pregenolone as substrate preincubat...				Bioorg Med Chem Lett 26: 5825-5829 (2016) Article DOI: 10.1016/j.bmcl.2016.10.016 BindingDB Entry DOI: 10.7270/Q2X63PW4
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM144623 (US8969586, 86 | US9598436, 86) Show SMILES Cc1ccncc1-c1ccnc2c(noc12)-c1ccc(F)cc1 Show InChI InChI=1S/C18H12FN3O/c1-11-6-8-20-10-15(11)14-7-9-21-17-16(22-23-18(14)17)12-2-4-13(19)5-3-12/h2-10H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 μl prepared from 7.5 μl additions of microsomes (p...				US Patent US9598436 (2017) BindingDB Entry DOI: 10.7270/Q22809N7
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM144623 (US8969586, 86 | US9598436, 86) Show SMILES Cc1ccncc1-c1ccnc2c(noc12)-c1ccc(F)cc1 Show InChI InChI=1S/C18H12FN3O/c1-11-6-8-20-10-15(11)14-7-9-21-17-16(22-23-18(14)17)12-2-4-13(19)5-3-12/h2-10H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	7.2	25
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 μl prepared from 7.5 μl additions of microsomes (p...				US Patent US8969586 (2015) BindingDB Entry DOI: 10.7270/Q2MW2FVH
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	CHEMBL5284859 Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@H]4N)ccc5O |r| Show InChI InChI=1S/C17H22N2O3/c1-19-7-6-16-13-9-2-3-11(20)14(13)22-15(16)10(18)4-5-17(16,21)12(19)8-9/h2-3,10,12,15,20-21H,4-8,18H2,1H3/t10-,12-,15+,16+,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity by the displacement of [3H]NMS binding to muscarinic M1 receptor of rat brain				Citation and Details
					More data for this Ligand-Target Pair

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