Brief Information of the Compound and Protein
Compound Name
 Compound Info 
ADP, alpha beta-me
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 PubChem ID
CID: 92199
SID: 15056410
Canonical SMILES
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
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Compound Formula C11H17N5O9P2
Compound Structure
Protein Name
 Protein Info 
5'-nucleotidase
Protein Classification
Enzyme
>
Phosphatase
Uniprot ID
P21589
Gene Name
NT5E
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 2653 nM
   TI
   LI
   LO
   TS
CL000111 MDA-MB-231
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 207 nM
   TI
   LI
   LO
   TS
CL000563 NCI-H1568
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 16268 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 187 nM
2 IC50 = 1100 nM
3 IC50 = 2500 nM
4 IC50 = 3970 nM
5 Ki = 88.4 nM