Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stearoyl-CoA desaturase' and Ligand = 'BDBM50257921'   

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))	BDBM50257921 (CHEMBL494543 | N-(2-(2-oxo-3-(pyridin-3-yl)-7-(3-(...) Show SMILES CC(=O)NCCn1c2cc(NCc3cccc(c3)C(F)(F)F)ccc2nc(-c2cccnc2)c1=O Show InChI InChI=1S/C25H22F3N5O2/c1-16(34)30-10-11-33-22-13-20(31-14-17-4-2-6-19(12-17)25(26,27)28)7-8-21(22)32-23(24(33)35)18-5-3-9-29-15-18/h2-9,12-13,15,31H,10-11,14H2,1H3,(H,30,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	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
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