BDBM50638962 CHEMBL5561670

SMILES O=c1ccc2c(N3CCC(CCP(=O)(O)O)C3)ncnc2[nH]1

InChI Key

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50638962   

TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50638962(CHEMBL5561670)
Affinity DataIC50: 0.480nMAssay Description:Inhibition of human recombinant ENPP1 expressed in HEK293T cells using cGAMP as substrate at pH 7.5 measured after 3.5 hrs in presence of ATP by lumi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50638962(CHEMBL5561670)
Affinity DataIC50: 59nMAssay Description:Inhibition of ENPP1 in human MDA-MB-231 cells using p-Nph-5'-TMP as substrate at pH 9.5 measured after 60 mins by spectrophotometry based analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed