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 = 'BDBM50470304'   

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)	BDBM50470304 (CHEMBL98478) Show SMILES C\C(=C/C(=O)Nc1ccc(F)cc1OCCCC(O)=O)c1ccc2n(ccc2c1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H31FN2O4/c1-24(21-33(39)37-30-16-15-29(36)23-32(30)42-20-8-13-34(40)41)27-14-17-31-28(22-27)18-19-38(31)35(25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-7,9-12,14-19,21-23,35H,8,13,20H2,1H3,(H,37,39)(H,40,41)/b24-21+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	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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