Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stearoyl-CoA desaturase' and Ligand = 'BDBM50364041'   

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))	BDBM50364041 (CHEMBL1950551) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(OCCCOc2cc(OC(F)(F)F)ccc2Br)s1 Show InChI InChI=1S/C16H13BrF3N5O5S/c17-10-3-2-9(30-16(18,19)20)6-11(10)28-4-1-5-29-15-21-7-12(31-15)14-22-24-25(23-14)8-13(26)27/h2-3,6-7H,1,4-5,8H2,(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	969	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in OATP-deficient human HepG2 cells by whole cell assay				Bioorg Med Chem Lett 22: 623-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.070 BindingDB Entry DOI: 10.7270/Q26M379R
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