Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-oxo-5-alpha-steroid 4-dehydrogenase 1/2' and Ligand = 'BDBM50470297'   

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 1/2 (Rattus norvegicus)	BDBM50470297 (CHEMBL414225) Show SMILES CC(C)Cn1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C26H30N2O4/c1-18(2)17-28-13-12-21-16-20(10-11-23(21)28)19(3)15-25(29)27-22-7-4-5-8-24(22)32-14-6-9-26(30)31/h4-5,7-8,10-13,15-16,18H,6,9,14,17H2,1-3H3,(H,27,29)(H,30,31)/b19-15+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats				J Med Chem 38: 2887-92 (1995) Article DOI: 10.1021/jm00015a011 BindingDB Entry DOI: 10.7270/Q2B27Z0N
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