Reaction Details Report a problem with these data
Target
Adenosine receptor A2b
Ligand
BDBM50210818
Substrate
n/a
Meas. Tech.
ChEMBL_1635287 (CHEMBL3878185)
IC50
1000±n/a nM
Citation
 Alachouzos, G; Lenselink, EB; Mulder-Krieger, T; de Vries, H; IJzerman, AP; Louvel, J Synthesis and evaluation of N-substituted 2-amino-4,5-diarylpyrimidines as selective adenosine A Eur J Med Chem 125:586-602 (2017) [PubMed]  Article 
Target
Name:
Adenosine receptor A2b
Synonyms:
AA2BR_HUMAN | ADENOSINE A2B | ADORA2B | Adenosine receptor A2B (A2B) | Adenosine receptors A2b | Adenosine receptors; A2a & A2b
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
36341.22
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
332
Sequence:
MLLETQDALYVALELVIAALSVAGNVLVCAAVGTANTLQTPTNYFLVSLAAADVAVGLFAIPFAITISLGFCTDFYGCLFLACFVLVLTQSSIFSLLAVAVDRYLAICVPLRYKSLVTGTRARGVIAVLWVLAFGIGLTPFLGWNSKDSATNNCTEPWDGTTNESCCLVKCLFENVVPMSYMVYFNFFGCVLPPLLIMLVIYIKIFLVACRQLQRTELMDHSRTTLQREIHAAKSLAMIVGIFALCWLPVHAVNCVTLFQPAQGKNKPKWAMNMAILLSHANSVVNPIVYAYRNRDFRYTFHKIISRYLLCQADVKSGNGQAGVQPALGVGL
  
Inhibitor
Name:
BDBM50210818
Synonyms:
CHEMBL3937015
Type:
Small organic molecule
Emp. Form.:
C26H25N3O
Mol. Mass.:
395.4962
SMILES:
O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1 |r,wU:4.7,wD:1.0,(25.3,-7.48,;23.97,-8.25,;22.62,-7.49,;21.3,-8.28,;21.31,-9.82,;22.65,-10.57,;23.98,-9.79,;19.99,-10.6,;20,-12.14,;21.34,-12.9,;21.35,-14.44,;20.02,-15.22,;20.03,-16.76,;18.7,-17.54,;18.72,-19.08,;20.06,-19.83,;20.07,-21.37,;21.4,-22.13,;22.73,-21.35,;22.72,-19.82,;21.39,-19.06,;21.37,-17.52,;18.68,-14.46,;18.67,-12.92,;17.35,-15.24,;16.01,-14.48,;14.68,-15.26,;14.69,-16.8,;16.04,-17.56,;17.36,-16.78,)|
Structure:
Search PDB for entries with ligand similarity: