BDBM50643040 CHEMBL5569484

SMILES COc1ccc(-c2nc(-c3nnn(Cc4cccc(F)c4)c3C)no2)cc1OC

InChI Key InChIKey=NGSCUBGAXIKYJL-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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50643040   

TargetCocaine esterase(Human)
University of Toronto Mississauga

Curated by ChEMBL
LigandPNGBDBM50643040(CHEMBL5569484)
Affinity DataIC50: 70nMMore 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
LigandPNGBDBM50643040(CHEMBL5569484)
Affinity DataKi:  17nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed