BDBM50447150 CHEMBL3112890

SMILES Cc1ccnc(NC(c2cccc(c2)[N+]([O-])=O)c2ccc3cccnc3c2O)c1

InChI Key InChIKey=CKWCYYXSFATAIE-UHFFFAOYSA-N

Data  1 IC50

  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 = 50447150   

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

Curated by ChEMBL
LigandPNGBDBM50447150(CHEMBL3112890)
Affinity DataIC50: 4.60E+3nMAssay Description:Inhibition of Clostridium botulinum BoNT/A LC expressed in Escherichia coli assessed as cleavage of SNAPtide preincubated for 5 mins followed by SNAP...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed