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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phenylalanine--tRNA ligase, mitochondrial' and Ligand = 'BDBM50140713'   
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
Phenylalanine--tRNA ligase, mitochondrial


(Homo sapiens (Human))
BDBM50140713
PNG
(4-benzoyl-2-(3,4-dichlorophenyl)-6-phenyl-(3aR,6R,...)
Show SMILES Oc1c2C(NC(c2c(O)n1-c1ccc(Cl)c(Cl)c1)c1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H18Cl2N2O3/c26-17-12-11-16(13-18(17)27)29-24(31)19-20(25(29)32)22(23(30)15-9-5-2-6-10-15)28-21(19)14-7-3-1-4-8-14/h1-13,21-22,28,31-32H
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Article
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylalanyl-tRNA synthetase from Enterococcus faecalis


Bioorg Med Chem Lett 14: 1339-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.081
BindingDB Entry DOI: 10.7270/Q2PR7VDS
More data for this
Ligand-Target Pair
Phenylalanine--tRNA ligase, mitochondrial


(Homo sapiens (Human))
BDBM50140713
PNG
(4-benzoyl-2-(3,4-dichlorophenyl)-6-phenyl-(3aR,6R,...)
Show SMILES Oc1c2C(NC(c2c(O)n1-c1ccc(Cl)c(Cl)c1)c1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H18Cl2N2O3/c26-17-12-11-16(13-18(17)27)29-24(31)19-20(25(29)32)22(23(30)15-9-5-2-6-10-15)28-21(19)14-7-3-1-4-8-14/h1-13,21-22,28,31-32H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human phenylalanyl-tRNA synthetase was determined


Bioorg Med Chem Lett 14: 1339-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.081
BindingDB Entry DOI: 10.7270/Q2PR7VDS
More data for this
Ligand-Target Pair