BDBM50589492 CHEMBL5171667

SMILES [H][C@]1(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCN)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O

InChI Key InChIKey=IELFCHSTRNARKJ-UHFFFAOYSA-N

Data  1 IC50

  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 = 50589492   

TargetBotulinum neurotoxin type A(Clostridium botulinum)
Guizhou Medical University

Curated by ChEMBL
LigandPNGBDBM50589492(CHEMBL5171667)
Affinity DataIC50: 270nMAssay Description:Inhibition of Clostridium botulinum BoNT/A light chain (1 to 424 residues) using SNAPtide as substrate by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed