BDBM50643046 CHEMBL5593400

SMILES COc1ccc2c(C)c(C(=O)N3CCCCC3)sc2c1

InChI Key InChIKey=QJAJEARBLLXKEO-UHFFFAOYSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50643046   

TargetCocaine esterase(Human)
University of Toronto Mississauga

Curated by ChEMBL
LigandPNGBDBM50643046(CHEMBL5593400)
Affinity DataIC50: 38nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCocaine esterase(Human)
University of Toronto Mississauga

Curated by ChEMBL
LigandPNGBDBM50643046(CHEMBL5593400)
Affinity DataKi:  5.60nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed