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Assay Detail

CHEMBL1069850

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

Binding
Inhibition of Clostridium botulinum BoNT/A
3
Total Activities
3
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Clostridium botulinum
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Botulinum neurotoxin type A (CHEMBL5192)
Type SINGLE PROTEIN
Organism Clostridium botulinum

Publication

Benzylidene cyclopentenediones: First irreversible inhibitors against botulinum neurotoxin A's zinc endopeptidase.
Capková K, Hixon MS, Pellett S, Barbieri JT, Johnson EA, Janda KD.
Bioorg Med Chem Lett (2010) 20 : 206 -208
PubMed 19914829 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 3 5.51 6.10

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL237776 1 6.10
CHEMBL237370 CINNAMIC ACID HYDROXAMATE 1 6.05
CHEMBL593815 1 4.39

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL237776 IC50 = 800.0 nM 6.10
CHEMBL237370 CINNAMIC ACID HYDROXAMATE IC50 = 900.0 nM 6.05
CHEMBL593815 IC50 = 41000.0 nM 4.39