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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Malonyl-CoA decarboxylase, mitochondrial' and Ligand = 'BDBM50190402'   
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
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50190402
PNG
(CHEMBL208772 | {[5-(2,2,2-trifluoro-1-hydroxy-1-tr...)
Show SMILES CCOC(=O)CNC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F |t:9|
Show InChI InChI=1S/C11H12F6N2O5/c1-2-23-7(20)4-18-8(21)5-3-6(24-19-5)9(22,10(12,13)14)11(15,16)17/h6,22H,2-4H2,1H3,(H,18,21)
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Article
PubMed
n/an/a 1.77E+3n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase


J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair