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BDBM50393795 CHEMBL2159512

SMILES: Clc1cc(Cl)cc(CNCCCNC(=O)Nc2ccccc2)c1

InChI Key: InChIKey=FFIHIYODYIKHMJ-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50393795   
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))
BDBM50393795
PNG
(CHEMBL2159512)
Show SMILES Clc1cc(Cl)cc(CNCCCNC(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C17H19Cl2N3O/c18-14-9-13(10-15(19)11-14)12-20-7-4-8-21-17(23)22-16-5-2-1-3-6-16/h1-3,5-6,9-11,20H,4,7-8,12H2,(H2,21,22,23)
PDB
MMDB

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Article
PubMed
n/an/a>1.00E+4n/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