BDBM608782 US11701371, Compound 1::US11707471, Compound 1::US20230277570, Compound 1

SMILES COc1cc2c(cc1OC)ncnc2N3CCC(CC3)CCP(=O)(O)O

InChI Key InChIKey=SNLWMWQNJTVWKD-UHFFFAOYSA-N

Data  3 KI  8 IC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 608782   

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

Curated by ChEMBL
LigandPNGBDBM608782(US11701371, Compound 1 | US11707471, Compound 1 | ...)
Affinity DataIC50: 0.800nMAssay 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)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM608782(US11701371, Compound 1 | US11707471, Compound 1 | ...)
Affinity DataKi:  33nMAssay Description:Binding affinity to human ENPP1 assessed as inhibition constantMore data for this Ligand-Target Pair
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
LigandPNGBDBM608782(US11701371, Compound 1 | US11707471, Compound 1 | ...)
Affinity DataKi:  33nMAssay 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)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM608782(US11701371, Compound 1 | US11707471, Compound 1 | ...)
Affinity DataKi:  33nMAssay 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
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM608782(US11701371, Compound 1 | US11707471, Compound 1 | ...)
Affinity DataIC50: 47nMAssay 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)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM608782(US11701371, Compound 1 | US11707471, Compound 1 | ...)
Affinity DataIC50: 500nMAssay Description:Selected compounds of Table 1, Table 2 and other derivatives were prepared and assessed in an ENPP1 activity assay using thymidine monophosphate para...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2023
Entry Details
Go to US Patent

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

Curated by ChEMBL
LigandPNGBDBM608782(US11701371, Compound 1 | US11707471, Compound 1 | ...)
Affinity DataIC50: 500nMAssay Description:Selected compounds of Table 1, Table 2 and other derivatives were prepared and assessed in an ENPP1 activity assay using thymidine monophosphate para...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2023
Entry Details
Go to US Patent

TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Mouse)
The Leland Stanford Junior University

US Patent
LigandPNGBDBM608782(US11701371, Compound 1 | US11707471, Compound 1 | ...)
Affinity DataIC50: 500nMAssay Description:Selected compounds of Table 1, Table 2 and other derivatives were prepared and assessed in an ENPP1 activity assay using thymidine monophosphate para...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2023
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM608782(US11701371, Compound 1 | US11707471, Compound 1 | ...)
Affinity DataIC50: 500nMAssay Description:ENPP1 activity assay using thymidine monophosphate paranitrophenol (TMP-pNP) as a substrate. Enzyme reactions were prepared with TMP-pNP (2 μM),...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2023
Entry Details
Go to US Patent

TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Mouse)
The Leland Stanford Junior University

US Patent
LigandPNGBDBM608782(US11701371, Compound 1 | US11707471, Compound 1 | ...)
Affinity DataIC50: 500nMAssay Description:Selected compounds of Table 1, Table 2 and other derivatives were prepared and assessed in an ENPP1 activity assay using thymidine monophosphate para...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2023
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM608782(US11701371, Compound 1 | US11707471, Compound 1 | ...)
Affinity DataIC50: 500nMAssay Description:Radiolabeled 32P cGAMP was synthesized by incubating unlabeled ATP (1 mM) and GTP (1 mM) doped with 32P-ATP with 2 μM purified recombinant porci...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2023
Entry Details
Go to US Patent