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

SMILES COc1cc2ncnc(N3CCC(CCP(O)(O)=O)CC3)c2cc1OC

InChI Key InChIKey=SNLWMWQNJTVWKD-UHFFFAOYSA-N

Data  6 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:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 608782   

TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Human)
The Board of Trustees of 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
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent


TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Human)
The Board of Trustees of 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
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent


TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Mouse)
The Board of Trustees of 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
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
PDB3D3D Structure (crystal)

TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Human)
The Board of Trustees of The Leland Stanford Junior University

US Patent
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
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent


TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Mouse)
The Board of Trustees of 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
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
PDB3D3D Structure (crystal)

TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Human)
The Board of Trustees of The Leland Stanford Junior University

US Patent
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
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent