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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 = 'BDBM50060669'   
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))		BDBM50060669
PNG
(CHEMBL3394693)
Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(CC2CC2(F)F)c1=O
Show InChI InChI=1S/C17H16F2N6O2S/c1-10-13(14(26)21-7-11-3-2-4-20-6-11)28-15(23-10)24-9-22-25(16(24)27)8-12-5-17(12,18)19/h2-4,6,9,12H,5,7-8H2,1H3,(H,21,26)
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PC sid
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Similars
Article
PubMed
n/an/a 306n/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