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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 = 'BDBM50060673'   
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))		BDBM50060673
PNG
(CHEMBL3394689)
Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(Cc2cc(F)cc(F)c2)c1=O
Show InChI InChI=1S/C20H16F2N6O2S/c1-12-17(18(29)24-9-13-3-2-4-23-8-13)31-19(26-12)27-11-25-28(20(27)30)10-14-5-15(21)7-16(22)6-14/h2-8,11H,9-10H2,1H3,(H,24,29)
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Similars
Article
PubMed
n/an/a 125n/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