Reaction Details Report a problem with these data
Target
Adenosine receptor A2b
Ligand
BDBM50360184
Substrate
n/a
Meas. Tech.
ChEMBL_794134 (CHEMBL1931872)
IC50
10700±n/a nM
Citation
 Federico, S; Paoletta, S; Cheong, SL; Pastorin, G; Cacciari, B; Stragliotto, S; Klotz, KN; Siegel, J; Gao, ZG; Jacobson, KA; Moro, S; Spalluto, G Synthesis and Biological Evaluation of a New Series of 1,2,4-Triazolo[1,5-a]-1,3,5-triazines as Human A(2A) Adenosine Receptor Antagonists with Improved Water Solubility. J Med Chem 54:877-89 (2011) [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:
BDBM50360184
Synonyms:
CHEMBL1927444
Type:
Small organic molecule
Emp. Form.:
C16H23N8O
Mol. Mass.:
343.4063
SMILES:
Nc1nc(NCC2CCC(C[NH3+])CC2)nc2nc(nn12)-c1ccco1 |(33.51,-20.77,;33.51,-22.31,;32.18,-23.08,;32.18,-24.63,;30.84,-25.4,;29.51,-24.62,;28.17,-25.39,;26.84,-24.61,;25.51,-25.37,;25.5,-26.91,;24.16,-27.67,;22.83,-26.89,;26.83,-27.69,;28.17,-26.92,;33.51,-25.4,;34.85,-24.63,;36.32,-25.11,;37.23,-23.85,;36.32,-22.6,;34.85,-23.08,;38.77,-23.85,;39.68,-22.61,;41.14,-23.08,;41.14,-24.62,;39.68,-25.1,)|
Structure:
Search PDB for entries with ligand similarity: