Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stearoyl-CoA desaturase' and Ligand = 'BDBM50258155'   

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
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50258155 (3-(7-oxo-6-(pyridin-3-yl)-2-(3-(trifluoromethyl)be...) Show SMILES NC(=O)CCn1c2nc(NCc3cccc(c3)C(F)(F)F)ncc2nc(-c2cccnc2)c1=O Show InChI InChI=1S/C22H18F3N7O2/c23-22(24,25)15-5-1-3-13(9-15)10-28-21-29-12-16-19(31-21)32(8-6-17(26)33)20(34)18(30-16)14-4-2-7-27-11-14/h1-5,7,9,11-12H,6,8,10H2,(H2,26,33)(H,28,29,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair