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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 = 'BDBM50356896'   
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))		BDBM50356896
PNG
(CHEMBL1915546)
Show SMILES OC(=O)Cn1nnc(n1)-c1cn(CCCc2cc(Br)c(Br)c(Br)c2)nn1
Show InChI InChI=1S/C14H12Br3N7O2/c15-9-4-8(5-10(16)13(9)17)2-1-3-23-6-11(18-21-23)14-19-22-24(20-14)7-12(25)26/h4-6H,1-3,7H2,(H,25,26)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 911n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of rat SCD by rat microsomal assay

Bioorg Med Chem Lett 21: 6505-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.073
BindingDB Entry DOI: 10.7270/Q2VQ332W
More data for this
Ligand-Target Pair