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 = 'BDBM50470280'   

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)	BDBM50470280 (CHEMBL97093) Show SMILES Cc1ccccc1.C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(CC(C)(C)C)ccc2c1 Show InChI InChI=1S/C27H32N2O4/c1-19(20-11-12-23-21(17-20)13-14-29(23)18-27(2,3)4)16-25(30)28-22-8-5-6-9-24(22)33-15-7-10-26(31)32/h5-6,8-9,11-14,16-17H,7,10,15,18H2,1-4H3,(H,28,30)(H,31,32)/b19-16+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	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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