BDBM50661693 CHEMBL6159893

SMILES COc1cccc2c(N[C@H]3CC[C@@H](NS(N)(=O)=O)CC3)ncnc12

InChI Key InChIKey=GYCXJZXYEGYLBQ-UHFFFAOYSA-N

  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 = 50661693   

TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661693BDBM50661693(CHEMBL6159893)
Affinity DataIC50: 28nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details PubMed
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661693BDBM50661693(CHEMBL6159893)
Affinity DataIC50: 42nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details PubMed