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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 = 'BDBM50445776'   
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)		BDBM50445776
PNG
(CHEMBL3102878)
Show SMILES Cc1nc(sc1C(=O)NCc1cccc(F)c1)N1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C22H21FN4O2S/c1-15-19(20(28)24-13-17-8-5-9-18(23)12-17)30-21(25-15)27-11-10-26(22(27)29)14-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H,24,28)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes

Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair