BDBM50546871 CHEMBL4745069

SMILES CS(=O)(=O)SCCCCCCN(O)C(=O)\C=C\c1ccc(Cl)cc1Cl

InChI Key InChIKey=FEHRNGFCIUEOAX-VQHVLOKHSA-N

Data  1 KI  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 2 hits for monomerid = 50546871   

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

Curated by ChEMBL
LigandPNGBDBM50546871(CHEMBL4745069)
Affinity DataKi:  2.00E+3nMAssay Description:Irreversible inhibition of Clostridium botulinum BoNT/A light chain expressed in Escherichia coli BL21 (DE3) using SNAPtide flp6 as substrate preincu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Boston University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50546871(CHEMBL4745069)
Affinity DataIC50:  3.40E+4nMAssay Description:Inhibition of Clostridium botulinum BoNT/A intoxicated in hiPSC-derived neurons assessed as reduction in SNAP-25 cleavage using SNAP-25 as substrate ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed