BDBM50546879 CHEMBL4787587

SMILES CS(=O)(=O)SCCCCCC(=O)NO

InChI Key InChIKey=MDXTWJHPHKTIJU-UHFFFAOYSA-N

Data  1 KI

  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 1 hit for monomerid = 50546879   

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

Curated by ChEMBL
LigandPNGBDBM50546879(CHEMBL4787587)
Affinity DataKi:  8.80E+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