BDBM448056 US10689376, Compound 78::US11142524, Compound 78

SMILES COc1ccc(NC(=O)CSc2nc3c(C)c(ncc3[nH]2)C#N)cc1O

InChI Key InChIKey=IZGYTCJOWJTOAB-UHFFFAOYSA-N

Data  4 IC50

  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 8 hits for monomerid = 448056   

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

Curated by ChEMBL
LigandPNGBDBM448056(US10689376, Compound 78 | US11142524, Compound 78)
Affinity DataIC50: 79nMAssay Description:Inhibition of recombinant human ENPP-1 using p-Nph5'-TMP as substrate incubated for 45 mins by absorbance 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
LigandPNGBDBM448056(US10689376, Compound 78 | US11142524, Compound 78)
Affinity DataIC50: 79nMAssay Description:Materials: Assay Buffer: 1 mM CaCl2, 0.2 mM ZnCl2, 50 mM Tris, pH 9.0 Substrate: 8 mM Thymidine 5′-monophosphate p-nitrophenol ester sodium sal...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details
US Patent

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

Curated by ChEMBL
LigandPNGBDBM448056(US10689376, Compound 78 | US11142524, Compound 78)
Affinity DataIC50: 79nMAssay Description:Materials:Assay Buffer: 1 mM CaCl2, 0.2 mM ZnCl2, 50 mM Tris, pH 9.0. Substrate: 8 mM Thymidine 5′-monophosphate p-nitrophenol ester sodium sal...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2022
Entry Details
US Patent

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

Curated by ChEMBL
LigandPNGBDBM448056(US10689376, Compound 78 | US11142524, Compound 78)
Affinity DataIC50: 116nMAssay Description:Inhibition of recombinant human ENPP-1 using ATP as substrate incubated for 20 mins by Cell titer Glo assayMore 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
LigandPNGBDBM448056(US10689376, Compound 78 | US11142524, Compound 78)
Affinity DataIC50: 116nMAssay Description:MaterialsAssay Buffer: 1 mM CaCl2, 0.2 mM ZnCl2, 50 mM Tris, pH 9.0. Substrate: 100 μM Adenosine 5′-triphosphate disodium salt hydrate (Pr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2022
Entry Details
US Patent

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

Curated by ChEMBL
LigandPNGBDBM448056(US10689376, Compound 78 | US11142524, Compound 78)
Affinity DataIC50: 271nMAssay Description:Materials:Assay Buffer: 1 mM CaCl2, 0.2 mM ZnCl2, 50 mM Tris, pH 9.0 Substrate: 1.5 mM Thymidine 5′-monophosphate disodium salt hydrate (Sigma:...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2022
Entry Details
US Patent

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

Curated by ChEMBL
LigandPNGBDBM448056(US10689376, Compound 78 | US11142524, Compound 78)
Affinity DataIC50: 271nMAssay Description:Inhibition of recombinant human ENPP-1 using TMP as substrate incubated for 45 mins by absorbance 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
LigandPNGBDBM448056(US10689376, Compound 78 | US11142524, Compound 78)
Affinity DataIC50: 2.06E+3nMAssay Description:Inhibition of ENPP1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed