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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Methionine--tRNA ligase, cytoplasmic' and Ligand = 'BDBM50129529'   
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
Methionine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50129529
PNG
(5-(2',4'-Dichloro-biphenyl-4-yl)-1-pyridin-2-yl-1H...)
Show SMILES NC(=O)c1cc(-c2ccc(cc2)-c2ccc(Cl)cc2Cl)n(n1)-c1ccccn1
Show InChI InChI=1S/C21H14Cl2N4O/c22-15-8-9-16(17(23)11-15)13-4-6-14(7-5-13)19-12-18(21(24)28)26-27(19)20-3-1-2-10-25-20/h1-12H,(H2,24,28)
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
n/an/a 2.95E+3n/an/an/an/an/an/a



Cubist Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus methionyl-tRNA synthetase (SaMetRS)


Bioorg Med Chem Lett 13: 2231-4 (2003)


BindingDB Entry DOI: 10.7270/Q24Q7TCM
More data for this
Ligand-Target Pair
Methionine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50129529
PNG
(5-(2',4'-Dichloro-biphenyl-4-yl)-1-pyridin-2-yl-1H...)
Show SMILES NC(=O)c1cc(-c2ccc(cc2)-c2ccc(Cl)cc2Cl)n(n1)-c1ccccn1
Show InChI InChI=1S/C21H14Cl2N4O/c22-15-8-9-16(17(23)11-15)13-4-6-14(7-5-13)19-12-18(21(24)28)26-27(19)20-3-1-2-10-25-20/h1-12H,(H2,24,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human methionyl-tRNA synthetase (hMetRS).


Bioorg Med Chem Lett 13: 2231-4 (2003)


BindingDB Entry DOI: 10.7270/Q24Q7TCM
More data for this
Ligand-Target Pair