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 = 'BDBM50032779'   

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))	BDBM50032779 ((4aR,6aS)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,...) Show SMILES C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1ccc(cc1)-c1ccccc1 |c:12| Show InChI InChI=1S/C31H36N2O2/c1-30-18-16-25-23(12-15-27-31(25,2)19-17-28(34)33-27)24(30)13-14-26(30)29(35)32-22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-11,17,19,23-27H,12-16,18H2,1-2H3,(H,32,35)(H,33,34)/t23?,24?,25?,26?,27?,30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human Steroid 5-alpha-reductase type 2				J Med Chem 38: 3189-92 (1995) BindingDB Entry DOI: 10.7270/Q2G161G8
					More data for this Ligand-Target Pair