BDBM50396130 CHEMBL2171318

SMILES COc1cc(\C=C\C(=O)NCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCO[N+]([O-])=O

InChI Key InChIKey=OACQCWYXXSUPFA-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 = 50396130   

TargetCholinesterase(Horse)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50396130(CHEMBL2171318)
Affinity DataIC50: 23.6nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetAcetylcholinesterase(Electric eel)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50396130(CHEMBL2171318)
Affinity DataIC50: 44.3nMAssay Description:Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed