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Assay Detail

CHEMBL4020313

Review assay metadata, readout intent, target linkage, and publication context from the same page.

ADMET
Inhibition of human N-terminal 6His-tagged cytoplasmic LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorporation in to Escherichia coli tRNA after 20 mins by liquid scintillation counting analysis
8
Total Activities
8
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Leucine--tRNA ligase, cytoplasmic (CHEMBL3258)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of a Potent and Specific M. tuberculosis Leucyl-tRNA Synthetase Inhibitor: (S)-3-(Aminomethyl)-4-chloro-7-(2-hydroxyethoxy)benzo[c][1,2]oxaborol-1(3H)-ol (GSK656).
Li X, Hernandez V, Rock FL, Choi W, Mak YSL, Mohan M, Mao W, Zhou Y, Easom EE, Plattner JJ, Zou W, Pérez-Herrán E, Giordano I, Mendoza-Losana A, Alemparte C, Rullas J, Angulo-Barturen I, Crouch S, Ortega F, Barros D, Alley MRK.
J Med Chem (2017) 60 : 8011 -8026
PubMed 28953378 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 8 4.20 4.41

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4077894 1 4.41
CHEMBL4075879 1 4.17
CHEMBL4105269 1 4.01
CHEMBL4066786 1 -
CHEMBL4086672 1 -
CHEMBL4082159 1 -
CHEMBL4081207 1 -
CHEMBL4066833 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4077894 IC50 = 38800.0 nM 4.41
CHEMBL4075879 IC50 = 66900.0 nM 4.17
CHEMBL4105269 IC50 = 96600.0 nM 4.01
CHEMBL4066786 IC50 = 260000.0 nM -
CHEMBL4086672 IC50 > 300000.0 nM -
CHEMBL4082159 IC50 = 132000.0 nM -
CHEMBL4081207 IC50 = 118000.0 nM -
CHEMBL4066833 IC50 = 118000.0 nM -