Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Steroid 17-alpha-hydroxylase/17,20 lyase' and Ligand = 'BDBM50409695'   

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))	BDBM50409695 (CHEMBL2112280) Show SMILES CC(N=O)C1=CC=C2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |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/t13?,16-,19-,20-,21+/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	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Accelrys Curated by ChEMBL					Assay Description In vitro cytochrome P450 17A1 inhibition was assayed using the rapid acetic acid releasing assay (AARA), utilizing intact P450c17-expressing Escheric...				J Med Chem 46: 2345-51 (2003) Article DOI: 10.1021/jm020576u BindingDB Entry DOI: 10.7270/Q2WD41B7
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