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Assay Detail

CHEMBL1067451

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Binding
Inhibition of Clostridium botulinum toxin BoNT/A light chain by HPLC-based assay
9
Total Activities
9
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

Synthesis and biological evaluation of botulinum neurotoxin a protease inhibitors.
Li B, Pai R, Cardinale SC, Butler MM, Peet NP, Moir DT, Bavari S, Bowlin TL.
J Med Chem (2010) 53 : 2264 -2276
PubMed 20155918 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 9 4.69 5.36

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL597791 1 5.36
CHEMBL167448 1 5.03
CHEMBL3216444 1 4.77
CHEMBL598001 1 4.60
CHEMBL597599 1 4.39
CHEMBL597792 1 4.37
CHEMBL598002 1 4.28
CHEMBL603251 1 -
CHEMBL598622 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL597791 IC50 = 4400.0 nM 5.36
CHEMBL167448 IC50 = 9400.0 nM 5.03
CHEMBL3216444 IC50 = 17000.0 nM 4.77
CHEMBL598001 IC50 = 25000.0 nM 4.60
CHEMBL597599 IC50 = 41000.0 nM 4.39
CHEMBL597792 IC50 = 43000.0 nM 4.37
CHEMBL598002 IC50 = 52000.0 nM 4.28
CHEMBL603251 IC50 > 100000.0 nM -
CHEMBL598622 IC50 > 100000.0 nM -