Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-oxo-5-alpha-steroid 4-dehydrogenase 2' and Ligand = 'BDBM50157230'   

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 2 (Homo sapiens (Human))	BDBM50157230 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1cccc(c1)C(F)(F)F |c:1| Show InChI InChI=1S/C22H18F3NO3/c1-13-18-7-5-14-11-15(6-8-19(14)26(18)10-9-20(13)27)21(28)29-17-4-2-3-16(12-17)22(23,24)25/h2-4,6,8,11-12H,5,7,9-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	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 2 receptor expressed in CHO 1829 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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