BDBM50661713 CHEMBL6160451

SMILES COc1cccc2c(N3CCC(F)(CNS(N)(=O)=O)CC3)c(C#N)cnc12

InChI Key InChIKey=XCWILHKLVDXCDQ-UHFFFAOYSA-N

Data  2 IC50

  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 = 50661713   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661713BDBM50661713(CHEMBL6160451)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of ENPP1 in human MDA-MB-231 cells using p-NPh-5TMP as substrate at pH 9.5 measured after 60 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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 50661713BDBM50661713(CHEMBL6160451)
Affinity DataIC50: 3.30nMAssay Description:Inhibition of recombinant human ENPP1 transfected in HEK293T cells using cGAMP as substrate at pH 7.5 measured after 3.5 hrs by luminescence based AM...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed