BDBM50665596 CHEMBL6170988

SMILES N#C[Se]CCCCc1ccn2c(=O)cc(CNCc3ccc(-c4ccccc4)cc3)nc2c1O

InChI Key InChIKey=OKENXQUNHADDHI-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 = 50665596   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665596BDBM50665596(CHEMBL6170988)
Affinity DataKi:  640nMAssay Description:Covalent inhibition of Botulinum neurotoxins A light chain assessed as inhibition constant using SNAPtide as substrate at 37 degC measured up to 40 m...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 50665596BDBM50665596(CHEMBL6170988)
Affinity DataKi:  4.06E+3nMAssay Description:Covalent inhibition of Botulinum neurotoxins A light chain assessed as inhibition constant using SNAPtideflP6 at 37 degC measured after 8 hrs by SNAP...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 50665596BDBM50665596(CHEMBL6170988)
Affinity DataIC50: 8.50E+3nMAssay Description:Inhibition of Botulinum neurotoxins A light chain in cells by Western blotting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed