Reaction Details Report a problem with these data
Target
Adenosine receptor A2b
Ligand
BDBM551459
Substrate
n/a
Meas. Tech.
Measurement of A2b Binding Affinity
IC50
2.60±n/a nM
Citation
 Larsen, MA; Ali, A; Cumming, J; DeMong, D; Deng, Q; Graham, TH; Hennessy, E; Hoover, AJ; Liu, P; Liu, K; Mansoor, UF; Pan, J; Plummer, CW; Sather, A; Swaminathan, U; Wang, H; Zhang, Y 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use US Patent  US11312719 Publication Date 4/26/2022 
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:
BDBM551459
Synonyms:
(R)-9-fluoro-2-(1-(1-isopropyl-1H-pyrazol-4-yl)piperidin-3-yl)- 8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine | US11312719, Example 4
Type:
Small organic molecule
Emp. Form.:
C21H25FN8O
Mol. Mass.:
424.4746
SMILES:
COc1cc2nc(N)n3nc(nc3c2cc1F)[C@@H]1CCCN(C1)c1cnn(c1)C(C)C |r|
Structure:
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