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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 2' and Ligand = 'BDBM50195044'   
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
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50195044
PNG
(CHEMBL220031 | N-(4-(2-(3-isopropoxyphenoxy)thiazo...)
Show SMILES CC(C)Oc1cccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c1
Show InChI InChI=1S/C18H20N2O3S/c1-12(2)22-15-6-5-7-16(10-15)23-18-19-11-17(24-18)9-8-13(3)20-14(4)21/h5-7,10-13H,1-4H3,(H,20,21)
PDB
MMDB

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Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2


Bioorg Med Chem Lett 16: 6078-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.100
BindingDB Entry DOI: 10.7270/Q2RJ4J4W
More data for this
Ligand-Target Pair