Brief Information of the Compound and Protein
Compound Name
 Compound Info 
CHEMBL3040216
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Canonical SMILES
CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
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Compound Formula C51H40N6O23S6
Compound Structure
Protein Name
 Protein Info 
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
Protein Classification
Enzyme
Uniprot ID
P22413
Gene Name
ENPP1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  3
1
IC50 = 7770 nM
   TI
   LI
   LO
   TS
2
IC50 = 8670 nM
   TI
   LI
   LO
   TS
3
Ki = 260 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 8670 nM