Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Steroid 17-alpha-hydroxylase/17,20 lyase' and Ligand = 'BDBM50061190'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50061190 ((10R,13S,17S)-10,13-Dimethyl-17-(2-phenyl-1H-imida...) Show SMILES C[C@]12CCC3C(CC=C4CC(O)CC[C@]34C)C1CC[C@@H]2c1cnc([nH]1)-c1ccccc1 |t:7| Show InChI InChI=1S/C28H36N2O/c1-27-14-12-20(31)16-19(27)8-9-21-22-10-11-24(28(22,2)15-13-23(21)27)25-17-29-26(30-25)18-6-4-3-5-7-18/h3-8,17,20-24,31H,9-16H2,1-2H3,(H,29,30)/t20?,21?,22?,23?,24-,27+,28+/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	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of human testicular microsomal Cytochrome P450 17A1				J Med Chem 40: 3297-304 (1997) Article DOI: 10.1021/jm970337k BindingDB Entry DOI: 10.7270/Q2ZS2VMD
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Rattus norvegicus (Rat))	BDBM50061190 ((10R,13S,17S)-10,13-Dimethyl-17-(2-phenyl-1H-imida...) Show SMILES C[C@]12CCC3C(CC=C4CC(O)CC[C@]34C)C1CC[C@@H]2c1cnc([nH]1)-c1ccccc1 |t:7| Show InChI InChI=1S/C28H36N2O/c1-27-14-12-20(31)16-19(27)8-9-21-22-10-11-24(28(22,2)15-13-23(21)27)25-17-29-26(30-25)18-6-4-3-5-7-18/h3-8,17,20-24,31H,9-16H2,1-2H3,(H,29,30)/t20?,21?,22?,23?,24-,27+,28+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of rat testicual micrososmal Cytochrome P450 17A1				J Med Chem 40: 3297-304 (1997) Article DOI: 10.1021/jm970337k BindingDB Entry DOI: 10.7270/Q2ZS2VMD
					More data for this Ligand-Target Pair