BDBM50048539 CHEMBL3309328

SMILES CS(=O)(=O)SCCCN

InChI Key InChIKey=VNSAROOCJXPTPB-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50048539   

TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50048539(CHEMBL3309328)
Affinity DataKi:  7.70E+3nMAssay Description:Inhibition of Clostridium botulinum neurotoxin serotype A light chainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50048539(CHEMBL3309328)
Affinity DataKi:  7.70E+3nMAssay Description:Irreversible inhibition of recombinant Clostridium botulinum N-terminal 6His-tagged BoNT/A (Met1 to Phe425 residues) catalytic domain expressed in Es...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50048539(CHEMBL3309328)
Affinity DataKi:  5.20E+4nMAssay Description:Covalent inhibition of Clostridium botulinum BoNT/A light chain expressed in Escherichia coli BL21 (DE3) using SNAPtide flp6 as substrate preincubate...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed