Brief Information of the Compound and Protein
Compound Name
 Compound Info 
1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
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 PubChem ID
CID: 2153
SID: 14772732
Canonical SMILES
Cn1c2nc[nH]c2c(=O)n(C)c1=O
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Compound Formula C7H8N4O2
Compound Structure
Protein Name
 Protein Info 
Adenosine receptor A2a
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
>
Nucleotide-like receptor (family A GPCR)
>
Adenosine receptor
Uniprot ID
P29274
Gene Name
ADORA2A
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)  2
1
Ki = 1710 nM
   TI
   LI
   LO
   TS
2
Ki = 7900 nM
   TI
   LI
   LO
   TS
CL000079 Expi293F
 Cell Line Info 
Homo sapiens (Human)  1
1
Kd = 3630 nM
   TI
   LI
   LO
   TS
CL001021 HEK-A2A
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 0.6 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  3
1
Kd = 3162.28 nM
   TI
   LI
   LO
   TS
2
Ki = 6700 nM
   TI
   LI
   LO
   TS
3
Ki > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1710 nM
2 Ki = 4200 nM
3 Ki = 6700 nM