BDBM50447129 CHEMBL589706::SJ000129322

SMILES Cc1ccnc(NC(c2ccc(cc2)[N+]([O-])=O)c2ccc3cccnc3c2O)c1

InChI Key InChIKey=WRUZNTSXJKBYPR-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50447129   

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

Curated by ChEMBL
LigandPNGBDBM50447129(SJ000129322 | CHEMBL589706)
Affinity DataIC50: 4.30E+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
TargetProtein disulfide-isomerase(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50447129(SJ000129322 | CHEMBL589706)
Affinity DataIC50: 530nMAssay Description:Inhibition of recombinant human wild-type N-terminal His-tagged PDIA1 expressed in Escherichia coli strain BL21(DE3) using bovine insulin as substrat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed