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BDBM50393794 CHEMBL2159537

SMILES: Clc1cc(Cl)cc(CNCCCNC(=O)Nc2cccs2)c1

InChI Key: InChIKey=HFXBOTYGDZHGMS-UHFFFAOYSA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50393794   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Methionyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50393794
PNG
(CHEMBL2159537)
Show SMILES Clc1cc(Cl)cc(CNCCCNC(=O)Nc2cccs2)c1
Show InChI InChI=1S/C15H17Cl2N3OS/c16-12-7-11(8-13(17)9-12)10-18-4-2-5-19-15(21)20-14-3-1-6-22-14/h1,3,6-9,18H,2,4-5,10H2,(H2,19,20,21)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.06E+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