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Assay Detail

CHEMBL4819635

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Binding
Inhibition of recombinant Escherichia coli LeuRS assessed as inhibition of 14C-radiolabelled leucine transfer to tRNA leucine preincubated for 10 mins followed by addition of ATP and measured after 4 mins by Scintillation counting method
12
Total Activities
12
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Escherichia coli
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

Leucine--tRNA ligase (CHEMBL4295566)
Type SINGLE PROTEIN
Organism Escherichia coli (strain K12)

Publication

Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.
De Ruysscher D, Pang L, Lenders SMG, Cappoen D, Cos P, Rozenski J, Strelkov SV, Weeks SD, Van Aerschot A.
Eur J Med Chem (2021) 211 : 113021 -113021
PubMed 33248851 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 12 7.16 8.61

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4864835 1 8.61
CHEMBL4869028 1 8.26
CHEMBL4864965 1 7.75
CHEMBL4855635 1 7.51
CHEMBL4864716 1 7.50
CHEMBL4852287 1 7.50
CHEMBL4867227 1 7.28
CHEMBL4876966 1 6.96
CHEMBL4861722 1 6.74
CHEMBL4850408 1 6.41
CHEMBL4871282 1 5.90
CHEMBL4871079 1 5.53

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4864835 Ki = 2.48 nM 8.61
CHEMBL4869028 Ki = 5.51 nM 8.26
CHEMBL4864965 Ki = 17.83 nM 7.75
CHEMBL4855635 Ki = 30.94 nM 7.51
CHEMBL4864716 Ki = 31.62 nM 7.50
CHEMBL4852287 Ki = 31.28 nM 7.50
CHEMBL4867227 Ki = 52.36 nM 7.28
CHEMBL4876966 Ki = 108.35 nM 6.96
CHEMBL4861722 Ki = 182.35 nM 6.74
CHEMBL4850408 Ki = 387.66 nM 6.41
CHEMBL4871282 Ki = 1260.73 nM 5.90
CHEMBL4871079 Ki = 2969.71 nM 5.53