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 = 'BDBM50061174'   

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 (Rattus norvegicus (Rat))	BDBM50061174 ((10R,13S)-17-(1H-Imidazol-4-yl)-10,13-dimethyl-1,2...) Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2c1cnc[nH]1 |c:21,t:8| Show InChI InChI=1S/C22H28N2O/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/h6,11-13,16-18H,3-5,7-10H2,1-2H3,(H,23,24)/t16?,17?,18?,21-,22-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of rat 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 (Homo sapiens (Human))	BDBM50061174 ((10R,13S)-17-(1H-Imidazol-4-yl)-10,13-dimethyl-1,2...) Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2c1cnc[nH]1 |c:21,t:8| Show InChI InChI=1S/C22H28N2O/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/h6,11-13,16-18H,3-5,7-10H2,1-2H3,(H,23,24)/t16?,17?,18?,21-,22-/m0/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	50	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