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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acyl-CoA desaturase 1' and Ligand = 'BDBM50060651'   
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
Acyl-CoA desaturase 1


(Mus musculus)		BDBM50060651
PNG
(CHEMBL3394684)
Show SMILES Cc1cc(CNC(=O)c2sc(nc2C)-n2cnn(Cc3ccc(F)cc3)c2=O)[nH]n1
Show InChI InChI=1S/C19H18FN7O2S/c1-11-7-15(25-24-11)8-21-17(28)16-12(2)23-18(30-16)26-10-22-27(19(26)29)9-13-3-5-14(20)6-4-13/h3-7,10H,8-9H2,1-2H3,(H,21,28)(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...

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