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 = 'BDBM50470264'   

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)	BDBM50470264 (CHEMBL443496) Show SMILES C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(ccc2c1)C(c1ccccc1C)c1ccccc1C Show InChI InChI=1S/C37H36N2O4/c1-25-11-4-6-13-30(25)37(31-14-7-5-12-26(31)2)39-21-20-29-24-28(18-19-33(29)39)27(3)23-35(40)38-32-15-8-9-16-34(32)43-22-10-17-36(41)42/h4-9,11-16,18-21,23-24,37H,10,17,22H2,1-3H3,(H,38,40)(H,41,42)/b27-23+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	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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