Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stearoyl-CoA desaturase' and Ligand = 'BDBM50060667'   

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))	BDBM50060667 (CHEMBL3394695) Show SMILES Cc1nc(sc1C(=O)NCc1ccccn1)-n1cnn(Cc2ccc(cc2)C(F)(F)F)c1=O Show InChI InChI=1S/C21H17F3N6O2S/c1-13-17(18(31)26-10-16-4-2-3-9-25-16)33-19(28-13)29-12-27-30(20(29)32)11-14-5-7-15(8-6-14)21(22,23)24/h2-9,12H,10-11H2,1H3,(H,26,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	227	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
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