BDBM50129807 CHEMBL3627988

SMILES [H][C@]1(NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCNC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CCCCN)NC1=O)C(N)=O)[C@H](C)O

InChI Key InChIKey=UNYHYLQMAWVCRM-JYIYYJLDSA-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 = 50129807   

TargetBotulinum neurotoxin type A(Clostridium botulinum)
Brookhaven National Laboratory

Curated by ChEMBL
LigandPNGBDBM50129807(CHEMBL3627988)
Affinity DataKi:  468nMAssay Description:Inhibition of Clostridium botulinum BoNT/A light chain 448 residue preincubated for 30 mins by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed