BDBM50384950 CHEMBL2037386

SMILES Clc1ccc2c(NCCCNCc3ccc(cc3)-c3ccc(s3)-c3ccc(CNCCCNc4ccnc5cc(Cl)ccc45)cc3)ccnc2c1

InChI Key InChIKey=PNSWLESSSAWXHT-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50384950   

TargetBotulinum neurotoxin type A(Clostridium botulinum)
University Of Belgrade

Curated by ChEMBL
LigandPNGBDBM50384950(CHEMBL2037386)
Affinity DataKi:  302nMAssay Description:Competitive inhibition of clostridium botulinum Botulinum neurotoxin type A light chain by RP-HPLC analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
University Of Belgrade

Curated by ChEMBL
LigandPNGBDBM50384950(CHEMBL2037386)
Affinity DataKi:  302nMAssay Description:Inhibition of Clostridium botulinum recombinant BoNT/A light chain using N-terminal acetylated, C-terminal aminated SNAP-25 (187-203) as substrate by...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed