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 = 'BDBM50325331'   

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))	BDBM50325331 (4-((1H-imidazol-1-yl)methyl)phenyl 4-butylbenzenes...) Show SMILES CCCCc1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1 Show InChI InChI=1S/C20H22N2O3S/c1-2-3-4-17-7-11-20(12-8-17)26(23,24)25-19-9-5-18(6-10-19)15-22-14-13-21-16-22/h5-14,16H,2-4,15H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of the West of Scotland Curated by ChEMBL					Assay Description Inhibition of 17,20-lyase activity of rat testicular microsomal P450-17alpha				Bioorg Med Chem Lett 20: 5345-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.100 BindingDB Entry DOI: 10.7270/Q2DF6RF1
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Rattus norvegicus (Rat))	BDBM50325331 (4-((1H-imidazol-1-yl)methyl)phenyl 4-butylbenzenes...) Show SMILES CCCCc1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1 Show InChI InChI=1S/C20H22N2O3S/c1-2-3-4-17-7-11-20(12-8-17)26(23,24)25-19-9-5-18(6-10-19)15-22-14-13-21-16-22/h5-14,16H,2-4,15H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University of the West of Scotland Curated by ChEMBL					Assay Description Inhibition of 17alpha-hydroxylase activity of rat testicular microsomal P450-17alpha				Bioorg Med Chem Lett 20: 5345-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.100 BindingDB Entry DOI: 10.7270/Q2DF6RF1
					More data for this Ligand-Target Pair