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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 = 'BDBM50190399'   
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))
BDBM50190399
PNG
(3-{[5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl...)
Show SMILES CCC(C)(CC)OC(=O)CCNC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F |t:14|
Show InChI InChI=1S/C16H22F6N2O5/c1-4-13(3,5-2)28-11(25)6-7-23-12(26)9-8-10(29-24-9)14(27,15(17,18)19)16(20,21)22/h10,27H,4-8H2,1-3H3,(H,23,26)
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Article
PubMed
n/an/a 7n/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