Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stearoyl-CoA desaturase' and Ligand = 'BDBM50296310'   

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))	BDBM50296310 (3-(2-hydroxyethoxy)-4-morpholino-N-(5-(3-(trifluor...) Show SMILES OCCOc1cc(ccc1N1CCOCC1)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C24H24F3N3O4S/c25-24(26,27)18-3-1-2-16(12-18)13-19-15-28-23(35-19)29-22(32)17-4-5-20(21(14-17)34-11-8-31)30-6-9-33-10-7-30/h1-5,12,14-15,31H,6-11,13H2,(H,28,29,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA desaturase 1 in human microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
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