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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 = 'BDBM50425275'   
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


(Rattus norvegicus (Rat))		BDBM50425275
PNG
(CHEMBL2315488)
Show SMILES CC(C)(C)c1ccc(CC(=O)N2CCC3(CC2)CCN(CNC(=O)c2cccs2)c2ccccc2O3)cc1
Show InChI InChI=1S/C31H37N3O3S/c1-30(2,3)24-12-10-23(11-13-24)21-28(35)33-17-14-31(15-18-33)16-19-34(25-7-4-5-8-26(25)37-31)22-32-29(36)27-9-6-20-38-27/h4-13,20H,14-19,21-22H2,1-3H3,(H,32,36)
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat SCD1 by rat microsomal assay

Bioorg Med Chem Lett 23: 791-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6
More data for this
Ligand-Target Pair