BDBM50643049 CHEMBL5565903

SMILES Cc1cc(Nc2ccc(C(=O)N3CCCCC3)cc2)n2nc(-c3cccnc3)nc2n1

InChI Key

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50643049   

TargetCocaine esterase(Human)
University of Toronto Mississauga

Curated by ChEMBL
LigandPNGBDBM50643049(CHEMBL5565903)
Affinity DataKi:  46nMAssay Description:Mixed type of inhibition at human recombinant CES2 activity assessed as fluorescence of the AP product using Benz-AP as substrateMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCocaine esterase(Human)
University of Toronto Mississauga

Curated by ChEMBL
LigandPNGBDBM50643049(CHEMBL5565903)
Affinity DataIC50: 126nMAssay Description:Inhibition of human recombinant CES2 activity assessed as fluorescence of the AP product using Benz-AP as substrateMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed