Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-oxo-5-alpha-steroid 4-dehydrogenase 2' and Ligand = 'BDBM50034156'   

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))	BDBM50034156 (CHEMBL16743 | N-((4aR,6aS,7S,11aR)-4a,6a-Dimethyl-...) Show SMILES CN(C=O)[C@H]1CCC2C3CC[C@H]4NC(=O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C20H32N2O2/c1-19-11-9-18(24)21-16(19)6-4-13-14-5-7-17(22(3)12-23)20(14,2)10-8-15(13)19/h12-17H,4-11H2,1-3H3,(H,21,24)/t13?,14?,15?,16-,17+,19-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
CHUL Research Center Curated by ChEMBL					Assay Description In vitro inhibition of human steroid 5-alpha-reductase type 2 in SW-13-transfected cells				J Med Chem 38: 1158-73 (1995) BindingDB Entry DOI: 10.7270/Q2NG4R90
					More data for this Ligand-Target Pair