BDBM50643042 CHEMBL5573951

SMILES CCn1cc(-c2nc(C)c(C(=O)N3CCCCCC3)s2)c2cccnc21

InChI Key InChIKey=XYYYLVUGGHLMPH-UHFFFAOYSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50643042   

TargetCocaine esterase(Human)
University of Toronto Mississauga

Curated by ChEMBL
LigandPNGBDBM50643042(CHEMBL5573951)
Affinity DataIC50: 172nMMore 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
LigandPNGBDBM50643042(CHEMBL5573951)
Affinity DataKi:  35nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed