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Assay Detail

CHEMBL2065752

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

Binding
Inhibition of Clostridium botulinum Hall BoNT/A protease activity using Ac-SNKTRIDEANQRATKML-NH2 as substrate after 5 mins by RP-HPLC analysis
7
Total Activities
6
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Clostridium botulinum
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

Botulinum neurotoxin type A (CHEMBL5344)
Type SINGLE PROTEIN
Organism Clostridium botulinum (strain Hall / ATCC 3502 / NCTC 13319 / Type A)

Publication

Fungal bis-Naphthopyrones as Inhibitors of Botulinum Neurotoxin Serotype A.
Cardellina JH, Roxas-Duncan VI, Montgomery V, Eccard V, Campbell Y, Hu X, Khavrutskii I, Tawa GJ, Wallqvist A, Gloer JB, Phatak NL, Höller U, Soman AG, Joshi BK, Hein SM, Wicklow DT, Smith LA.
ACS Med Chem Lett (2012) 3 : 387 -391
PubMed 24900483 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 7 4.90 5.68

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL599255 1 5.68
CHEMBL2062928 TALARODERXINE A 2 5.43
CHEMBL1099258 CHAETOCHROMIN A 1 4.61
CHEMBL500027 SECALONIC ACID A 1 4.54
CHEMBL463175 CEPHALOCHROMIN 1 4.54
CHEMBL472851 SKYRIN 1 4.50

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL599255 IC50 = 2100.0 nM 5.68
CHEMBL2062928 TALARODERXINE A IC50 = 3700.0 nM 5.43
CHEMBL2062928 TALARODERXINE A IC50 = 10100.0 nM 5.00
CHEMBL1099258 CHAETOCHROMIN A IC50 = 24600.0 nM 4.61
CHEMBL500027 SECALONIC ACID A IC50 = 28600.0 nM 4.54
CHEMBL463175 CEPHALOCHROMIN IC50 = 29200.0 nM 4.54
CHEMBL472851 SKYRIN IC50 = 31500.0 nM 4.50