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 = 'BDBM50031891'   

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))	BDBM50031891 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) Show SMILES CC(C)(C)c1ccccc1NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C |t:20| Show InChI InChI=1S/C29H40N2O2/c1-27(2,3)22-8-6-7-9-24(22)31-26(33)23-11-10-20-19-17-30-25-16-18(32)12-14-29(25,5)21(19)13-15-28(20,23)4/h6-9,19-21,23H,10-17H2,1-5H3,(H,31,33)/t19?,20?,21?,23-,28+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibitory activity measured on human steroid 5-alpha-reductase type 2				J Med Chem 38: 2621-7 (1995) BindingDB Entry DOI: 10.7270/Q2C829XC
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