BDBM50665544 CHEMBL6169526

SMILES S=C1Cc2cc(Br)ccc2N1

InChI Key InChIKey=LYQRCKUBUCCOIE-UHFFFAOYSA-N

Data  2 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50665544   

TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665544BDBM50665544(CHEMBL6169526)
Affinity DataKi:  1.80E+3nMAssay Description:Competitive inhibition of Botulinum neurotoxins A light chain assessed as inhibition constant using SNAPtide as substrate incubated for 10 mins by 66...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665544BDBM50665544(CHEMBL6169526)
Affinity DataKi:  2.90E+3nMAssay Description:Uncompetitive inhibition of Botulinum neurotoxins A light chain assessed as inhibition constant using SNAPtide as substrate incubated for 8 hrs by LC...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665544BDBM50665544(CHEMBL6169526)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of Botulinum neurotoxins A light chain using SNAPtideflP6 as substrate by SNAPtide assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed