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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 = 'BDBM50190408'   
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))
BDBM50190408
PNG
(3-{[5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl...)
Show SMILES CC(C)CC(C)(CC(C)C)OC(=O)CCNC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F |t:18|
Show InChI InChI=1S/C20H30F6N2O5/c1-11(2)9-17(5,10-12(3)4)32-15(29)6-7-27-16(30)13-8-14(33-28-13)18(31,19(21,22)23)20(24,25)26/h11-12,14,31H,6-10H2,1-5H3,(H,27,30)
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Article
PubMed
n/an/a 9n/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