BDBM50546878 CHEMBL4790780

SMILES CS(=O)(=O)SCCCCC(=O)NO

InChI Key InChIKey=BJMNDAJRBCCXIK-UHFFFAOYSA-N

Data  1 KI

  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 = 50546878   

TargetBotulinum neurotoxin type A(Clostridium botulinum)
Boston University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50546878(CHEMBL4790780)
Affinity DataKi:  6.60E+4nMAssay Description:Irreversible inhibition of Clostridium botulinum BoNT/A light chain expressed in Escherichia coli BL21 (DE3) using SNAPtide as substrate preincubated...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed