Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'ehmer' and Initial = 'pb'   

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 2 (Homo sapiens (Human))	BDBM50334788 ((17beta-(N-tert-butylcarbamoyl)-4-aza-5alpha-andro...) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C |r,c:18| Show InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Evaluated for the inhibitory activity against human steroid 5-alpha-reductase type 2 from human BPH tissue at 210 nM of testosterone				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50093602 (17-(1H-Imidazol-4-yl)-10,13-dimethyl-2,3,4,7,8,9,1...) Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CC=C2c1cnc[nH]1 |c:21,t:7| Show InChI InChI=1S/C22H30N2O/c1-21-9-7-15(25)11-14(21)3-4-16-17-5-6-19(20-12-23-13-24-20)22(17,2)10-8-18(16)21/h3,6,12-13,15-18,25H,4-5,7-11H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Inhibition of human Cytochrome P450 17				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50334788 ((17beta-(N-tert-butylcarbamoyl)-4-aza-5alpha-andro...) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C |r,c:18| Show InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Evaluated for the inhibitory activity against human steroid 5-alpha-reductase type I in human DU-145 cell assay at 5 nM of androstenedione				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50334788 ((17beta-(N-tert-butylcarbamoyl)-4-aza-5alpha-andro...) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C |r,c:18| Show InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Inhibition of Human steroid 5-alpha-reductase type II expressed in HEK293 cells				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50409034 (CHEMBL2112731) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=CCN=O |w:20.24,t:7| Show InChI InChI=1S/C21H31NO2/c1-20-11-8-19-17(18(20)6-4-14(20)9-12-22-24)5-3-15-13-16(23)7-10-21(15,19)2/h3,9,16-19,23H,4-8,10-13H2,1-2H3/t16-,17-,18?,19-,20+,21-/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	77	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Evaluated for the inhibitory activity towards Cytochrome P450 17 human enzyme using testicular microsome at 25 uM of substrate (progesterone)				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50093600 (17-(1-Hydroxyimino-ethyl)-10,13-dimethyl-1,2,6,7,8...) Show SMILES CC(N=O)C1=CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C |t:4,11| Show InChI InChI=1S/C21H29NO2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12-13,16,18-19H,4-5,7-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Evaluated for the inhibitory activity towards Cytochrome P450 17 human enzyme using testicular microsome at 25 uM of substrate (progesterone)				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM8935 (5-[(6-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)...) Show SMILES COc1ccc2C(C)=C(Cc3cnc[nH]3)CCc2c1 |t:7| Show InChI InChI=1S/C16H18N2O/c1-11-12(7-14-9-17-10-18-14)3-4-13-8-15(19-2)5-6-16(11)13/h5-6,8-10H,3-4,7H2,1-2H3,(H,17,18)	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	110	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...				J Enzyme Inhib Med Chem 19: 17-32 (2004) Article DOI: 10.1080/14756360310001640913 BindingDB Entry DOI: 10.7270/Q2CF9N9T
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM8951 (4-Imidazol-1-ylmethyl-biphenyl-3,4-diol | 4-[4-(1H...) Show SMILES Oc1ccc(cc1O)-c1ccc(Cn2ccnc2)cc1 Show InChI InChI=1S/C16H14N2O2/c19-15-6-5-14(9-16(15)20)13-3-1-12(2-4-13)10-18-8-7-17-11-18/h1-9,11,19-20H,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...				J Enzyme Inhib Med Chem 19: 17-32 (2004) Article DOI: 10.1080/14756360310001640913 BindingDB Entry DOI: 10.7270/Q2CF9N9T
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Rattus norvegicus (Rat))	BDBM50409033 (CHEMBL2112735) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@]34C)C1CCC2=CCN=O |w:20.24,t:8| Show InChI InChI=1S/C21H31NO2/c1-20-11-8-19-17(18(20)6-4-14(20)9-12-22-24)5-3-15-13-16(23)7-10-21(15,19)2/h9,13,16-19,23H,3-8,10-12H2,1-2H3/t16-,17-,18?,19-,20+,21-/m0/s1	KEGG UniProtKB/SwissProt 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
University of the Saarland Curated by ChEMBL					Assay Description Evaluated for the inhibitory activity towards Cytochrome P450 17 rat enzyme using testicular microsome at 25 uM of substrate (progesterone)				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50409032 (CHEMBL2112737) Show SMILES CC(N=O)C1=CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:4,10| Show InChI InChI=1S/C21H31NO2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,13,15-16,18-19,23H,5,7-12H2,1-3H3/t13?,15-,16-,18?,19-,20-,21+/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	170	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Evaluated for the inhibitory activity towards Cytochrome P450 17 human enzyme using testicular microsome at 25 uM of substrate (progesterone)				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50409033 (CHEMBL2112735) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@]34C)C1CCC2=CCN=O |w:20.24,t:8| Show InChI InChI=1S/C21H31NO2/c1-20-11-8-19-17(18(20)6-4-14(20)9-12-22-24)5-3-15-13-16(23)7-10-21(15,19)2/h9,13,16-19,23H,3-8,10-12H2,1-2H3/t16-,17-,18?,19-,20+,21-/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	180	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Evaluated for the inhibitory activity towards Cytochrome P450 17 human enzyme using testicular microsome at 25 uM of substrate (progesterone)				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Rattus norvegicus (Rat))	BDBM50093602 (17-(1H-Imidazol-4-yl)-10,13-dimethyl-2,3,4,7,8,9,1...) Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CC=C2c1cnc[nH]1 |c:21,t:7| Show InChI InChI=1S/C22H30N2O/c1-21-9-7-15(25)11-14(21)3-4-16-17-5-6-19(20-12-23-13-24-20)22(17,2)10-8-18(16)21/h3,6,12-13,15-18,25H,4-5,7-11H2,1-2H3,(H,23,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Inhibition of rat Cytochrome P450 17				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50093591 (17-(1-Hydroxyimino-ethyl)-10,13-dimethyl-1,2,6,7,8...) Show SMILES CC(N=O)C1=CC=C2C3CCC4=CC(=O)CCC4(C)C3CCC12C |t:4,6,11| Show InChI InChI=1S/C21H27NO2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6-7,12-13,16,19H,4-5,8-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Evaluated for the inhibitory activity towards Cytochrome P450 17 human enzyme using testicular microsome at 25 uM of substrate (progesterone)				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50409030 (CHEMBL2112747) Show SMILES CC(N=O)[C@H]1CC=C2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:6,10| Show InChI InChI=1S/C21H31NO2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,7,13,15-17,19,23H,5-6,8-12H2,1-3H3/t13?,15-,16-,17+,19-,20-,21+/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	200	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Evaluated for the inhibitory activity towards Cytochrome P450 17 human enzyme using testicular microsome at 25 uM of substrate (progesterone)				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50409034 (CHEMBL2112731) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=CCN=O |w:20.24,t:7| Show InChI InChI=1S/C21H31NO2/c1-20-11-8-19-17(18(20)6-4-14(20)9-12-22-24)5-3-15-13-16(23)7-10-21(15,19)2/h3,9,16-19,23H,4-8,10-13H2,1-2H3/t16-,17-,18?,19-,20+,21-/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	230	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Inhibition of Human P450 17 and NADPH-P450 reductase co-expressed in Escherichia coli with 25 uM progesterone				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50093603 ((3-Hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,...) Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2CCN=O |t:7| Show InChI InChI=1S/C21H33NO2/c1-20-11-8-19-17(18(20)6-4-14(20)9-12-22-24)5-3-15-13-16(23)7-10-21(15,19)2/h3,14,16-19,23H,4-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Evaluated for the inhibitory activity towards Cytochrome P450 17 human enzyme using testicular microsome at 25 uM of substrate (progesterone)				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50093590 ((10,13-Dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,1...) Show SMILES CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2CCN=O |t:8| Show InChI InChI=1S/C21H31NO2/c1-20-11-8-19-17(18(20)6-4-14(20)9-12-22-24)5-3-15-13-16(23)7-10-21(15,19)2/h13-14,17-19H,3-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
University of the Saarland Curated by ChEMBL					Assay Description Evaluated for the inhibitory activity against human steroid 5-alpha-reductase type 2 from human BPH tissue at 210 nM of testosterone				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Rattus norvegicus (Rat))	BDBM50093590 ((10,13-Dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,1...) Show SMILES CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2CCN=O |t:8| Show InChI InChI=1S/C21H31NO2/c1-20-11-8-19-17(18(20)6-4-14(20)9-12-22-24)5-3-15-13-16(23)7-10-21(15,19)2/h13-14,17-19H,3-12H2,1-2H3	KEGG UniProtKB/SwissProt 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
University of the Saarland Curated by ChEMBL					Assay Description Evaluated for the inhibitory activity towards Cytochrome P450 17 rat enzyme using testicular microsome at 25 uM of substrate (progesterone)				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50409030 (CHEMBL2112747) Show SMILES CC(N=O)[C@H]1CC=C2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:6,10| Show InChI InChI=1S/C21H31NO2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,7,13,15-17,19,23H,5-6,8-12H2,1-3H3/t13?,15-,16-,17+,19-,20-,21+/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	420	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Inhibition of Human P450 17 and NADPH-P450 reductase co-expressed in Escherichia coli with 25 uM progesterone				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50093598 (17-(2-Hydroxyimino-propyl)-10,13-dimethyl-1,7,8,9,...) Show SMILES CC(CC1CCC2C3CC(=O)C4=CC(=O)CCC4(C)C3CCC12C)N=O |t:11| Show InChI InChI=1S/C22H31NO3/c1-13(23-26)10-14-4-5-17-16-12-20(25)19-11-15(24)6-8-22(19,3)18(16)7-9-21(14,17)2/h11,13-14,16-18H,4-10,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Evaluated for the inhibitory activity against human steroid 5-alpha-reductase type 2 from human BPH tissue at 210 nM of testosterone				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50409033 (CHEMBL2112735) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@]34C)C1CCC2=CCN=O |w:20.24,t:8| Show InChI InChI=1S/C21H31NO2/c1-20-11-8-19-17(18(20)6-4-14(20)9-12-22-24)5-3-15-13-16(23)7-10-21(15,19)2/h9,13,16-19,23H,3-8,10-12H2,1-2H3/t16-,17-,18?,19-,20+,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Evaluated for the inhibitory activity against human steroid 5-alpha-reductase type 2 from human BPH tissue at 210 nM of testosterone				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50093592 (17-(2-Hydroxyimino-propyl)-10,13-dimethyl-1,2,6,7,...) Show SMILES CC(CC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)N=O |t:10| Show InChI InChI=1S/C22H33NO2/c1-14(23-25)12-15-5-7-19-18-6-4-16-13-17(24)8-10-21(16,2)20(18)9-11-22(15,19)3/h13-15,18-20H,4-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Evaluated for the inhibitory activity against human steroid 5-alpha-reductase type 2 from human BPH tissue at 210 nM of testosterone				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM8946 (3,4-Dihydro-2-(5-imidazolyl)-6,7-dimethoxy-1-methy...) Show SMILES COc1cc2CCC(Cc3cnc[nH]3)=C(C)c2cc1OC |t:14| Show InChI InChI=1S/C17H20N2O2/c1-11-12(6-14-9-18-10-19-14)4-5-13-7-16(20-2)17(21-3)8-15(11)13/h7-10H,4-6H2,1-3H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...				J Enzyme Inhib Med Chem 19: 17-32 (2004) Article DOI: 10.1080/14756360310001640913 BindingDB Entry DOI: 10.7270/Q2CF9N9T
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50409032 (CHEMBL2112737) Show SMILES CC(N=O)C1=CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:4,10| Show InChI InChI=1S/C21H31NO2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,13,15-16,18-19,23H,5,7-12H2,1-3H3/t13?,15-,16-,18?,19-,20-,21+/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	520	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Inhibition of Human P450 17 and NADPH-P450 reductase co-expressed in Escherichia coli with 25 uM progesterone				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50093590 ((10,13-Dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,1...) Show SMILES CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2CCN=O |t:8| Show InChI InChI=1S/C21H31NO2/c1-20-11-8-19-17(18(20)6-4-14(20)9-12-22-24)5-3-15-13-16(23)7-10-21(15,19)2/h13-14,17-19H,3-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Evaluated for the inhibitory activity towards Cytochrome P450 17 human enzyme using testicular microsome at 25 uM of substrate (progesterone)				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Rattus norvegicus (Rat))	BDBM50409034 (CHEMBL2112731) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=CCN=O |w:20.24,t:7| Show InChI InChI=1S/C21H31NO2/c1-20-11-8-19-17(18(20)6-4-14(20)9-12-22-24)5-3-15-13-16(23)7-10-21(15,19)2/h3,9,16-19,23H,4-8,10-13H2,1-2H3/t16-,17-,18?,19-,20+,21-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Evaluated for the inhibitory activity towards Cytochrome P450 17 rat enzyme using testicular microsome at 25 uM of substrate (progesterone)				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50334788 ((17beta-(N-tert-butylcarbamoyl)-4-aza-5alpha-andro...) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C |r,c:18| Show InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Inhibition of Human steroid 5-alpha-reductase type I expressed in HEK293 cells				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50093594 (17-(1-Hydroxyimino-ethyl)-10,13-dimethyl-1,2,6,7,8...) Show SMILES CC(N=O)[C@H]1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C |t:11| Show InChI InChI=1S/C21H31NO2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19H,4-11H2,1-3H3/t13?,16?,17-,18?,19?,20?,21?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Evaluated for the inhibitory activity against human steroid 5-alpha-reductase type 2 from human BPH tissue at 210 nM of testosterone				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50093594 (17-(1-Hydroxyimino-ethyl)-10,13-dimethyl-1,2,6,7,8...) Show SMILES CC(N=O)[C@H]1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C |t:11| Show InChI InChI=1S/C21H31NO2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19H,4-11H2,1-3H3/t13?,16?,17-,18?,19?,20?,21?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Evaluated for the inhibitory activity against human steroid 5-alpha-reductase type 2 from human BPH tissue at 210 nM of testosterone				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					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	740	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Evaluated for the inhibitory activity towards Cytochrome P450 17 human enzyme using testicular microsome at 25 uM of substrate (progesterone)				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50093598 (17-(2-Hydroxyimino-propyl)-10,13-dimethyl-1,7,8,9,...) Show SMILES CC(CC1CCC2C3CC(=O)C4=CC(=O)CCC4(C)C3CCC12C)N=O |t:11| Show InChI InChI=1S/C22H31NO3/c1-13(23-26)10-14-4-5-17-16-12-20(25)19-11-15(24)6-8-22(19,3)18(16)7-9-21(14,17)2/h11,13-14,16-18H,4-10,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Inhibition of Human steroid 5-alpha-reductase type II expressed in HEK293 cells				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50093590 ((10,13-Dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,1...) Show SMILES CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2CCN=O |t:8| Show InChI InChI=1S/C21H31NO2/c1-20-11-8-19-17(18(20)6-4-14(20)9-12-22-24)5-3-15-13-16(23)7-10-21(15,19)2/h13-14,17-19H,3-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Inhibition of Human steroid 5-alpha-reductase type II expressed in HEK293 cells				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50093592 (17-(2-Hydroxyimino-propyl)-10,13-dimethyl-1,2,6,7,...) Show SMILES CC(CC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)N=O |t:10| Show InChI InChI=1S/C22H33NO2/c1-14(23-25)12-15-5-7-19-18-6-4-16-13-17(24)8-10-21(16,2)20(18)9-11-22(15,19)3/h13-15,18-20H,4-12H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Evaluated for the inhibitory activity against human steroid 5-alpha-reductase type I in human DU-145 cell assay at 5 nM of androstenedione				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50093598 (17-(2-Hydroxyimino-propyl)-10,13-dimethyl-1,7,8,9,...) Show SMILES CC(CC1CCC2C3CC(=O)C4=CC(=O)CCC4(C)C3CCC12C)N=O |t:11| Show InChI InChI=1S/C22H31NO3/c1-13(23-26)10-14-4-5-17-16-12-20(25)19-11-15(24)6-8-22(19,3)18(16)7-9-21(14,17)2/h11,13-14,16-18H,4-10,12H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Evaluated for the inhibitory activity against human steroid 5-alpha-reductase type I in human DU-145 cell assay at 5 nM of androstenedione				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM8937 (7-(1H-imidazol-5-ylmethyl)-3-methoxy-8-methyl-5,6-...) Show SMILES COc1cc2CCC(Cc3cnc[nH]3)=C(C)c2cc1O |t:14| Show InChI InChI=1S/C16H18N2O2/c1-10-11(5-13-8-17-9-18-13)3-4-12-6-16(20-2)15(19)7-14(10)12/h6-9,19H,3-5H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...				J Enzyme Inhib Med Chem 19: 17-32 (2004) Article DOI: 10.1080/14756360310001640913 BindingDB Entry DOI: 10.7270/Q2CF9N9T
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50093596 (1-(3-Hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,1...) Show SMILES CC(CC1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)N=O |t:9| Show InChI InChI=1S/C22H35NO2/c1-14(23-25)12-15-5-7-19-18-6-4-16-13-17(24)8-10-21(16,2)20(18)9-11-22(15,19)3/h4,14-15,17-20,24H,5-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Evaluated for the inhibitory activity towards Cytochrome P450 17 human enzyme using testicular microsome at 25 uM of substrate (progesterone)				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM8953 (4-Imidazol-1-ylmethyl-biphenyl-3,4,5-triol | 5-[4-...) Show SMILES Oc1cc(cc(O)c1O)-c1ccc(Cn2ccnc2)cc1 Show InChI InChI=1S/C16H14N2O3/c19-14-7-13(8-15(20)16(14)21)12-3-1-11(2-4-12)9-18-6-5-17-10-18/h1-8,10,19-21H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H]androstenedione during aromatization. After incubation, the rea...				J Enzyme Inhib Med Chem 19: 17-32 (2004) Article DOI: 10.1080/14756360310001640913 BindingDB Entry DOI: 10.7270/Q2CF9N9T
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM8933 ((2E)-2-(1H-imidazol-5-ylmethylidene)-6-methoxy-1,2...) Show SMILES COc1ccc2C(=O)C(CCc2c1)=Cc1cnc[nH]1 |w:13.15| Show InChI InChI=1S/C15H14N2O2/c1-19-13-4-5-14-10(7-13)2-3-11(15(14)18)6-12-8-16-9-17-12/h4-9H,2-3H2,1H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H]androstenedione during aromatization. After incubation, the rea...				J Enzyme Inhib Med Chem 19: 17-32 (2004) Article DOI: 10.1080/14756360310001640913 BindingDB Entry DOI: 10.7270/Q2CF9N9T
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM8935 (5-[(6-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)...) Show SMILES COc1ccc2C(C)=C(Cc3cnc[nH]3)CCc2c1 |t:7| Show InChI InChI=1S/C16H18N2O/c1-11-12(7-14-9-17-10-18-14)3-4-13-8-15(19-2)5-6-16(11)13/h5-6,8-10H,3-4,7H2,1-2H3,(H,17,18)	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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H]androstenedione during aromatization. After incubation, the rea...				J Enzyme Inhib Med Chem 19: 17-32 (2004) Article DOI: 10.1080/14756360310001640913 BindingDB Entry DOI: 10.7270/Q2CF9N9T
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50093594 (17-(1-Hydroxyimino-ethyl)-10,13-dimethyl-1,2,6,7,8...) Show SMILES CC(N=O)[C@H]1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C |t:11| Show InChI InChI=1S/C21H31NO2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19H,4-11H2,1-3H3/t13?,16?,17-,18?,19?,20?,21?/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Evaluated for the inhibitory activity against human steroid 5-alpha-reductase type I in human DU-145 cell assay at 5 nM of androstenedione				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50409031 (CHEMBL2112746) Show SMILES CC(N=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:10| Show InChI InChI=1S/C21H33NO2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,23H,5-12H2,1-3H3/t13?,15-,16-,17+,18-,19-,20-,21+/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	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 17 of human testicular microsomes at 25 uM progesterone				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM8937 (7-(1H-imidazol-5-ylmethyl)-3-methoxy-8-methyl-5,6-...) Show SMILES COc1cc2CCC(Cc3cnc[nH]3)=C(C)c2cc1O |t:14| Show InChI InChI=1S/C16H18N2O2/c1-10-11(5-13-8-17-9-18-13)3-4-12-6-16(20-2)15(19)7-14(10)12/h6-9,19H,3-5H2,1-2H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H]androstenedione during aromatization. After incubation, the rea...				J Enzyme Inhib Med Chem 19: 17-32 (2004) Article DOI: 10.1080/14756360310001640913 BindingDB Entry DOI: 10.7270/Q2CF9N9T
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50093594 (17-(1-Hydroxyimino-ethyl)-10,13-dimethyl-1,2,6,7,8...) Show SMILES CC(N=O)[C@H]1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C |t:11| Show InChI InChI=1S/C21H31NO2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19H,4-11H2,1-3H3/t13?,16?,17-,18?,19?,20?,21?/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Inhibition of Human steroid 5-alpha-reductase type I expressed in HEK293 cells				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM8951 (4-Imidazol-1-ylmethyl-biphenyl-3,4-diol | 4-[4-(1H...) Show SMILES Oc1ccc(cc1O)-c1ccc(Cn2ccnc2)cc1 Show InChI InChI=1S/C16H14N2O2/c19-15-6-5-14(9-16(15)20)13-3-1-12(2-4-13)10-18-8-7-17-11-18/h1-9,11,19-20H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H]androstenedione during aromatization. After incubation, the rea...				J Enzyme Inhib Med Chem 19: 17-32 (2004) Article DOI: 10.1080/14756360310001640913 BindingDB Entry DOI: 10.7270/Q2CF9N9T
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50093590 ((10,13-Dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,1...) Show SMILES CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2CCN=O |t:8| Show InChI InChI=1S/C21H31NO2/c1-20-11-8-19-17(18(20)6-4-14(20)9-12-22-24)5-3-15-13-16(23)7-10-21(15,19)2/h13-14,17-19H,3-12H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Evaluated for the inhibitory activity against human steroid 5-alpha-reductase type I in human DU-145 cell assay at 5 nM of androstenedione				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM8941 ((2E)-6-hydroxy-2-(1H-imidazol-5-ylmethylidene)-1,2...) Show SMILES Oc1ccc2C(=O)C(CCc2c1)=Cc1cnc[nH]1 |w:12.14| Show InChI InChI=1S/C14H12N2O2/c17-12-3-4-13-9(6-12)1-2-10(14(13)18)5-11-7-15-8-16-11/h3-8,17H,1-2H2,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H]androstenedione during aromatization. After incubation, the rea...				J Enzyme Inhib Med Chem 19: 17-32 (2004) Article DOI: 10.1080/14756360310001640913 BindingDB Entry DOI: 10.7270/Q2CF9N9T
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM8942 ((2E)-2-(1H-imidazol-5-ylmethylidene)-6,7-dimethoxy...) Show SMILES COc1cc2CCC(=Cc3cnc[nH]3)C(=O)c2cc1OC |w:8.8| Show InChI InChI=1S/C16H16N2O3/c1-20-14-6-10-3-4-11(5-12-8-17-9-18-12)16(19)13(10)7-15(14)21-2/h5-9H,3-4H2,1-2H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H]androstenedione during aromatization. After incubation, the rea...				J Enzyme Inhib Med Chem 19: 17-32 (2004) Article DOI: 10.1080/14756360310001640913 BindingDB Entry DOI: 10.7270/Q2CF9N9T
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM8936 (6-(1H-imidazol-5-ylmethyl)-5-methyl-7,8-dihydronap...) Show SMILES CC1=C(Cc2cnc[nH]2)CCc2cc(O)ccc12 |c:1| Show InChI InChI=1S/C15H16N2O/c1-10-11(6-13-8-16-9-17-13)2-3-12-7-14(18)4-5-15(10)12/h4-5,7-9,18H,2-3,6H2,1H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H]androstenedione during aromatization. After incubation, the rea...				J Enzyme Inhib Med Chem 19: 17-32 (2004) Article DOI: 10.1080/14756360310001640913 BindingDB Entry DOI: 10.7270/Q2CF9N9T
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50093590 ((10,13-Dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,1...) Show SMILES CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2CCN=O |t:8| Show InChI InChI=1S/C21H31NO2/c1-20-11-8-19-17(18(20)6-4-14(20)9-12-22-24)5-3-15-13-16(23)7-10-21(15,19)2/h13-14,17-19H,3-12H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Inhibition of Human steroid 5-alpha-reductase type I expressed in HEK293 cells				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50093605 (1-(3-Hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,1...) Show SMILES CC(N=O)C1CC=C2C3CC=C4CC(O)CCC4(C)C3CCC12C |t:6,10| Show InChI InChI=1S/C21H31NO2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,7,13,15-17,19,23H,5-6,8-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Evaluated for the inhibitory activity towards Cytochrome P450 17 human enzyme using testicular microsome at 25 uM of substrate (progesterone)				J Med Chem 43: 4266-77 (2000) BindingDB Entry DOI: 10.7270/Q2VT1SSV
					More data for this Ligand-Target Pair

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