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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine--tRNA ligase, cytoplasmic' and Ligand = 'BDBM50097745'   
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
Tyrosine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50097745
PNG
(CHEMBL159436 | [2-Amino-3-((S)-4-hydroxy-phenyl)-p...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]([C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C16H22N2O8/c17-9(5-7-1-3-8(19)4-2-7)15(23)18-11(16(24)25)14-13(22)12(21)10(20)6-26-14/h1-4,9-14,19-22H,5-6,17H2,(H,18,23)(H,24,25)/t9-,10-,11+,12-,13+,14-/m0/s1
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PubMed
n/an/a 260n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus tyrosyl tRNA synthetase (YRS) using aminoacylation assay


Bioorg Med Chem Lett 11: 711-4 (2001)


BindingDB Entry DOI: 10.7270/Q2445KR1
More data for this
Ligand-Target Pair