Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-oxo-5-alpha-steroid 4-dehydrogenase 1' and Ligand = 'BDBM50031886'   

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 1 (Homo sapiens (Human))	BDBM50031886 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) Show SMILES CC(C)(C)c1ccc(cc1NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C)-c1ccccc1 |t:20| Show InChI InChI=1S/C35H44N2O2/c1-33(2,3)28-12-11-23(22-9-7-6-8-10-22)19-30(28)37-32(39)29-14-13-26-25-21-36-31-20-24(38)15-17-35(31,5)27(25)16-18-34(26,29)4/h6-12,19,25-27,29H,13-18,20-21H2,1-5H3,(H,37,39)/t25?,26?,27?,29-,34+,35-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant steroid 5-alpha-reductase type I				J Med Chem 38: 2621-7 (1995) BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair