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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 = 'BDBM50119362'   
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))
BDBM50119362
PNG
(2-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)
Show SMILES Cc1cc(ccc1C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H19F10NO4/c1-13-10-16(23(37,24(30,31)32)25(33,34)35)3-4-17(13)18(11-14-6-8-36(38)9-7-14)15-2-5-19(39-21(26)27)20(12-15)40-22(28)29/h2-10,12,18,21-22,37H,11H2,1H3
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Article
PubMed
n/an/a 13.3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MCD


Bioorg Med Chem Lett 20: 6088-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.047
BindingDB Entry DOI: 10.7270/Q2542NTX
More data for this
Ligand-Target Pair