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 = 'BDBM50470295'   

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)	BDBM50470295 (CHEMBL95409) Show SMILES C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(Cc3ccc(cc3)C(F)(F)F)ccc2c1 Show InChI InChI=1S/C30H27F3N2O4/c1-20(17-28(36)34-25-5-2-3-6-27(25)39-16-4-7-29(37)38)22-10-13-26-23(18-22)14-15-35(26)19-21-8-11-24(12-9-21)30(31,32)33/h2-3,5-6,8-15,17-18H,4,7,16,19H2,1H3,(H,34,36)(H,37,38)/b20-17+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	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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