BDBM50179357 CHEMBL1783609

SMILES COc1cc2ncnc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC

InChI Key InChIKey=BFPJKUMKCZVVRO-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50179357   

TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50179357(CHEMBL1783609)
Affinity DataKi:  11nMAssay Description:Inhibition of ENPP1 (unknown origin) using cGAMP as substrate assessed as inhibition constant at pH 9More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50179357(CHEMBL1783609)
Affinity DataIC50: 17nMAssay 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
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50179357(CHEMBL1783609)
Affinity DataIC50: 19nMAssay 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
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50179357(CHEMBL1783609)
Affinity DataKi:  59nMAssay Description:Non-competitive inhibition of human NPP1 expressed in African green monkey COS7 cells using p-Nph-5'-TMP as substrate after 60 mins by Dixon plot ana...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/19/2017
Entry Details Article
PubMed
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50179357(CHEMBL1783609)
Affinity DataKi:  1.60E+3nMAssay Description:Inhibition of ENPP1 (unknown origin) using cGAMP as substrate assessed as inhibition constant at pH 7.4More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50179357(CHEMBL1783609)
Affinity DataKi:  1.60E+3nMAssay Description:Binding affinity to ENPP1 (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed