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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stearoyl-CoA desaturase' and Ligand = 'BDBM50060666'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50060666
PNG
(CHEMBL3394696)
Show SMILES CC(c1ccc(F)cc1)n1ncn(-c2nc(C)c(s2)C(=O)NCc2ccccn2)c1=O
Show InChI InChI=1S/C21H19FN6O2S/c1-13-18(19(29)24-11-17-5-3-4-10-23-17)31-20(26-13)27-12-25-28(21(27)30)14(2)15-6-8-16(22)9-7-15/h3-10,12,14H,11H2,1-2H3,(H,24,29)
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Article
PubMed
n/an/a 66n/an/an/an/an/an/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
More data for this
Ligand-Target Pair