BDBM50556950 CHEMBL4743210

SMILES COc1cc(CNC(=O)CCCCNc2c3C4CC(Cc3nc3cc(Cl)ccc23)C=C(C)C4)ccc1O

InChI Key

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 = 50556950   

TargetAcetylcholinesterase(Human)
University of Barcelona

Curated by ChEMBL
LigandPNGBDBM50556950(CHEMBL4743210)
Affinity DataIC50: 5.5nMAssay Description:Inhibition of recombinant human AChE using acetylthiocholineiodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetCholinesterase(Human)
University of Barcelona

Curated by ChEMBL
LigandPNGBDBM50556950(CHEMBL4743210)
Affinity DataIC50: 52nMAssay Description:Inhibition of human serum BChE using butyrylthiocholineiodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed