BDBM50546872 CHEMBL4761825

SMILES CS(=O)(=O)SCCCNC(=O)CC(CC(=O)NO)c1ccc(Cl)cc1Cl

InChI Key InChIKey=SJAXWQDRHLFICZ-UHFFFAOYSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50546872   

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

Curated by ChEMBL
LigandPNGBDBM50546872(CHEMBL4761825)
Affinity DataKi:  1.70E+4nMAssay Description:Time dependent inhibition of Clostridium botulinum BoNT/A light chain expressed in Escherichia coli BL21 (DE3) using SNAPtide flp6 as substrate by me...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
LigandPNGBDBM50546872(CHEMBL4761825)
Affinity DataIC50:  3.50E+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