BDBM50541556 CHEMBL4634465

SMILES [H][C@]12C[C@@H](OC)C=C[C@]11[C@@H](CN2Cc2c(OC)c3OCOc3cc12)OC(=O)c1ccccc1[N+]([O-])=O

InChI Key InChIKey=QHVPNAQOEJLQDJ-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 = 50541556   

TargetCholinesterase(Human)
University of Defence

Curated by ChEMBL
LigandPNGBDBM50541556(CHEMBL4634465)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of human BuChE using butyrylthiocholine iodide as substrate measured for 1 min by spectrophotometric based Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
University of Defence

Curated by ChEMBL
LigandPNGBDBM50541556(CHEMBL4634465)
Affinity DataIC50: 5.40E+4nMAssay Description:Inhibition of human AChE using acetylthiocholine iodide as substrate measured for 1 min by spectrophotometric based Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed