Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stearoyl-CoA desaturase' and Ligand = 'BDBM50445782'   

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))	BDBM50445782 (CHEMBL3104609) Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)N1C[C@@H](Cc2ccccc2)NC1=O |r| Show InChI InChI=1S/C22H22N4O2S/c1-15-19(20(27)23-13-17-10-6-3-7-11-17)29-22(24-15)26-14-18(25-21(26)28)12-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3,(H,23,27)(H,25,28)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.18E+3	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 [1-14C]stearic acid as substrate				Bioorg Med Chem Lett 24: 520-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.036 BindingDB Entry DOI: 10.7270/Q2QJ7JRS
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