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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Threonine--tRNA ligase' and Ligand = 'BDBM50426198'   
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
Threonine--tRNA ligase


(Yersinia pestis)		BDBM50426198
PNG
(CHEMBL2316962)
Show SMILES C[C@@H](O)[C@H](N)C(=O)NCc1cccc(c1)-c1ccc2c(N)nc(Cl)nc2c1 |r|
Show InChI InChI=1S/C19H20ClN5O2/c1-10(26)16(21)18(27)23-9-11-3-2-4-12(7-11)13-5-6-14-15(8-13)24-19(20)25-17(14)22/h2-8,10,16,26H,9,21H2,1H3,(H,23,27)(H2,22,24,25)/t10-,16+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 436n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Yersinia pestis ThrRS by coupled spectrophotometry

J Med Chem 56: 1748-60 (2013)


Article DOI: 10.1021/jm301756m
BindingDB Entry DOI: 10.7270/Q2GQ7036
More data for this
Ligand-Target Pair