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 = 'BDBM50032315'   

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)	BDBM50032315 (4-{2-[(E)-3-(1-Benzyl-1H-indol-5-yl)-but-2-enoylam...) Show SMILES C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(Cc3ccccc3)ccc2c1 Show InChI InChI=1S/C29H28N2O4/c1-21(18-28(32)30-25-10-5-6-11-27(25)35-17-7-12-29(33)34)23-13-14-26-24(19-23)15-16-31(26)20-22-8-3-2-4-9-22/h2-6,8-11,13-16,18-19H,7,12,17,20H2,1H3,(H,30,32)(H,33,34)/b21-18+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	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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