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 = 'BDBM50157226'   

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))	BDBM50157226 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccc(F)cc1 |c:1| Show InChI InChI=1S/C21H18FNO3/c1-13-18-8-2-14-12-15(3-9-19(14)23(18)11-10-20(13)24)21(25)26-17-6-4-16(22)5-7-17/h3-7,9,12H,2,8,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	119	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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