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Assay Detail

CHEMBL5038464

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Binding
Inhibition of Clostridium botulinum BoNT/A light chain assessed as inhibition constant at 10 nM using SNAPtide flp6 as substrate measured after 30 mins by FRET assay
11
Total Activities
11
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

Identification of Slow-Binding Inhibitors of the BoNT/A Protease.
Patel EN, Turner LD, Hixon MS, Janda KD.
ACS Med Chem Lett (2022) 13 : 742 -747
PubMed 35450355 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 11 5.24 6.52

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL237370 CINNAMIC ACID HYDROXAMATE 1 6.52
CHEMBL5077928 1 5.61
CHEMBL5084806 1 5.55
CHEMBL5093260 1 5.33
CHEMBL5082512 1 5.20
CHEMBL4776429 1 4.76
CHEMBL4779141 1 4.59
CHEMBL4741834 1 4.37
CHEMBL5071456 1 -
CHEMBL5082531 1 -
CHEMBL5076439 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL237370 CINNAMIC ACID HYDROXAMATE Ki = 300.0 nM 6.52
CHEMBL5077928 Ki = 2470.0 nM 5.61
CHEMBL5084806 Ki = 2840.0 nM 5.55
CHEMBL5093260 Ki = 4660.0 nM 5.33
CHEMBL5082512 Ki = 6310.0 nM 5.20
CHEMBL4776429 Ki = 17200.0 nM 4.76
CHEMBL4779141 Ki = 25400.0 nM 4.59
CHEMBL4741834 Ki = 43000.0 nM 4.37
CHEMBL5071456 Ki > 32000.0 nM -
CHEMBL5082531 Ki > 16000.0 nM -
CHEMBL5076439 Ki > 8000.0 nM -