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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Methionine--tRNA ligase, cytoplasmic' and Ligand = 'BDBM50143343'   
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))
BDBM50143343
PNG
((S)-1-{1-[2-(2,4-Dichloro-phenyl)-5-oxo-oxazol-(4Z...)
Show SMILES C\C(N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)=C1\N=C(OC1=O)c1ccc(Cl)cc1Cl |c:25|
Show InChI InChI=1S/C25H24Cl2N4O5/c1-13(21-25(35)36-24(30-21)17-9-6-15(26)12-18(17)27)31-10-2-3-20(31)23(34)29-19(22(28)33)11-14-4-7-16(32)8-5-14/h4-9,12,19-20,32H,2-3,10-11H2,1H3,(H2,28,33)(H,29,34)/b21-13-/t19-,20-/m0/s1
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n/an/a 340n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of human methionyl-tRNA synthetase (fMetRS)


Bioorg Med Chem Lett 14: 1909-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.094
BindingDB Entry DOI: 10.7270/Q2NG4Q2F
More data for this
Ligand-Target Pair
Methionine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50143343
PNG
((S)-1-{1-[2-(2,4-Dichloro-phenyl)-5-oxo-oxazol-(4Z...)
Show SMILES C\C(N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)=C1\N=C(OC1=O)c1ccc(Cl)cc1Cl |c:25|
Show InChI InChI=1S/C25H24Cl2N4O5/c1-13(21-25(35)36-24(30-21)17-9-6-15(26)12-18(17)27)31-10-2-3-20(31)23(34)29-19(22(28)33)11-14-4-7-16(32)8-5-14/h4-9,12,19-20,32H,2-3,10-11H2,1H3,(H2,28,33)(H,29,34)/b21-13-/t19-,20-/m0/s1
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n/an/a 6.63E+3n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Enterococci faecalis methionyl-tRNA synthetase (EfMetRS)


Bioorg Med Chem Lett 14: 1909-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.094
BindingDB Entry DOI: 10.7270/Q2NG4Q2F
More data for this
Ligand-Target Pair
Methionine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50143343
PNG
((S)-1-{1-[2-(2,4-Dichloro-phenyl)-5-oxo-oxazol-(4Z...)
Show SMILES C\C(N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)=C1\N=C(OC1=O)c1ccc(Cl)cc1Cl |c:25|
Show InChI InChI=1S/C25H24Cl2N4O5/c1-13(21-25(35)36-24(30-21)17-9-6-15(26)12-18(17)27)31-10-2-3-20(31)23(34)29-19(22(28)33)11-14-4-7-16(32)8-5-14/h4-9,12,19-20,32H,2-3,10-11H2,1H3,(H2,28,33)(H,29,34)/b21-13-/t19-,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

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



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of human methionyl-tRNA synthetase (fMetRS)


Bioorg Med Chem Lett 14: 1909-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.094
BindingDB Entry DOI: 10.7270/Q2NG4Q2F
More data for this
Ligand-Target Pair