Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-oxo-5-alpha-steroid 4-dehydrogenase 1' and Ligand = 'BDBM50157225'   

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 (Homo sapiens (Human))	BDBM50157225 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CCN(CC)C(=O)c1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1 |c:24| Show InChI InChI=1S/C26H28N2O4/c1-4-27(5-2)25(30)18-6-10-21(11-7-18)32-26(31)20-9-13-23-19(16-20)8-12-22-17(3)24(29)14-15-28(22)23/h6-7,9-11,13,16H,4-5,8,12,14-15H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	463	n/a	n/a	n/a	n/a	n/a	n/a
Polo Scientifico Università di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells				Bioorg Med Chem Lett 15: 145-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.017 BindingDB Entry DOI: 10.7270/Q2ZK5G4N
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