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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 = 'BDBM50060672'   
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))		BDBM50060672
PNG
(CHEMBL3394690)
Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(Cc2ccc(o2)C(F)(F)F)c1=O
Show InChI InChI=1S/C19H15F3N6O3S/c1-11-15(16(29)24-8-12-3-2-6-23-7-12)32-17(26-11)27-10-25-28(18(27)30)9-13-4-5-14(31-13)19(20,21)22/h2-7,10H,8-9H2,1H3,(H,24,29)
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Similars
Article
PubMed
n/an/a 8n/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