BDBM50247854 CHEMBL4060273

SMILES N#Cc1ccc(cc1)-c1ccc(s1)-c1cccc(CNCCCCCCNc2ccnc3ccccc23)c1

InChI Key InChIKey=HBMLXCGASIOVJH-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 = 50247854   

TargetBotulinum neurotoxin type A(Clostridium botulinum)
University of Belgrade

Curated by ChEMBL
LigandPNGBDBM50247854(CHEMBL4060273)
Affinity DataIC50:  8.70E+3nMAssay Description:Inhibition of Clostridium botulinum BoNT/A light chain using P39 as substrate preincubated for 10 mins followed by substrate addition measured after ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed