BDBM448030 US10689376, Compound 21::US11142524, Compound 21

SMILES COc1ccc(NC(=O)CSc2nc3cc(Cl)ncc3[nH]2)cc1O

InChI Key InChIKey=MRGZBJAQDGISRV-UHFFFAOYSA-N

Data  2 IC50

  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 3 hits for monomerid = 448030   

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

Curated by ChEMBL
LigandPNGBDBM448030(US10689376, Compound 21 | US11142524, Compound 21)
Affinity DataIC50: 86nMAssay 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
LigandPNGBDBM448030(US10689376, Compound 21 | US11142524, Compound 21)
Affinity DataIC50: 86nMAssay 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
LigandPNGBDBM448030(US10689376, Compound 21 | US11142524, Compound 21)
Affinity DataIC50: 86nMAssay 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