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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leucine--tRNA ligase' and Ligand = 'BDBM50241783'   
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
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241783
PNG
(CHEMBL4081973)
Show SMILES Cl.NCC1OB(O)c2cc(OCCCO)cc(Br)c12
Show InChI InChI=1S/C11H15BBrNO4.ClH/c13-9-5-7(17-3-1-2-15)4-8-11(9)10(6-14)18-12(8)16;/h4-5,10,15-16H,1-3,6,14H2;1H
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair