BDBM50626851 CHEMBL5402537

SMILES COc1cccc(c1OCc2ccccc2)CN(CCCc3ccccc3F)C4CCC4

InChI Key InChIKey=KZOIYQAEEQKJSB-UHFFFAOYSA-N

Data  1 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

  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 3 hits for monomerid = 50626851   

TargetAcetylcholinesterase(Human)
Charles University

Curated by ChEMBL
LigandPNGBDBM50626851(CHEMBL5402537)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 5 mins followed by substrate addition a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetCholinesterase(Human)
Charles University

Curated by ChEMBL
LigandPNGBDBM50626851(CHEMBL5402537)
Affinity DataIC50: 4nMAssay Description:Inhibition of recombinant human BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 5 mins followed by substrate addition...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCholinesterase(Human)
Charles University

Curated by ChEMBL
LigandPNGBDBM50626851(CHEMBL5402537)
Affinity DataKi:  4nMAssay Description:Competitive inhibition of human BuChE using butyrylthiocholine iodide as substrate assessed as inhibition constant preincubated with enzyme for 5 min...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMedPDB3D3D Structure (crystal)