BDBM50260296 CHEMBL501525::CRATKML

SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#16])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O

InChI Key InChIKey=GGJWNMWSUJMLJS-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50260296   

TargetBotulinum neurotoxin type A(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50260296(CRATKML | CHEMBL501525)
Affinity DataKi:  2.00E+3nMAssay Description:Inhibition of BoNT/A light chain metalloprotease activityMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50260296(CRATKML | CHEMBL501525)
Affinity DataKi:  2.00E+3nMAssay Description:Inhibition of protease activity of Clostridium botulinum BoNT/A using N(K)-acetyl)-SNKTRIDEANQRATKML-carboxamide as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed