BDBM50534916 CHEMBL4441787

SMILES CC[C@H](C)[C@H](NS(=O)(=O)c1ccc2oc(=O)n(C)c2c1)C(=O)Nc1cccc(C)c1C

InChI Key InChIKey=JJDHBDIFPQWJGK-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50534916   

TargetBotulinum neurotoxin type E(Clostridium botulinum)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50534916(CHEMBL4441787)
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibition of Clostridium botulinum BoNT/E light chain using GFP-tagged VAMP2/SNAP-25 (Ala128 to Gly206 residues) as substrate after 15 mins by GFP b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed