BDBM50129807 CHEMBL3627988

SMILES C[C@H](O)[C@@H]1NC(=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](C(N)=O)NC(=O)[C@H](CCCCN)NC1=O

InChI Key InChIKey=UNYHYLQMAWVCRM-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

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
LigandChemical structure of BindingDB Monomer ID 50129807BDBM50129807(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 Depth
Date in BDB:
12/17/2016
Entry Details Article
PubMed