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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Methionyl-tRNA synthetase' and Ligand = 'BDBM50393800'   
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
Methionyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50393800
PNG
(CHEMBL2159536)
Show SMILES COc1cc(Cl)cc(CNCCCNC(=O)Nc2ccsc2)c1
Show InChI InChI=1S/C16H20ClN3O2S/c1-22-15-8-12(7-13(17)9-15)10-18-4-2-5-19-16(21)20-14-3-6-23-11-14/h3,6-9,11,18H,2,4-5,10H2,1H3,(H2,19,20,21)
PDB
MMDB

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Article
PubMed
n/an/a 6.59E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human mitochondrial MetRS aminoacylation activity assessed as reduction in [3H]methionine incorporation into Escherichia coli tRNA pre-...


J Med Chem 55: 6342-51 (2012)


Article DOI: 10.1021/jm300303e
BindingDB Entry DOI: 10.7270/Q2SJ1MQH
More data for this
Ligand-Target Pair