Reaction Details Report a problem with these data
Target
Adenosine receptor A2b
Ligand
BDBM50176739
Substrate
n/a
Meas. Tech.
ChEMBL_327523 (CHEMBL871361)
Ki
14±n/a nM
Citation
Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J Novel 1,3-dipropyl-8-(1-heteroarylmethyl-1H-pyrazol-4-yl)-xanthine derivatives as high affinity and selective A2B adenosine receptor antagonists. Bioorg Med Chem Lett 16:302-6 (2005) [PubMed] Article
More Info.:
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:
Human
Description:
n/a
Residue:
332
Sequence:
MLLETQDALYVALELVIAALSVAGNVLVCAAVGTANTLQTPTNYFLVSLAAADVAVGLFAIPFAITISLGFCTDFYGCLFLACFVLVLTQSSIFSLLAVAVDRYLAICVPLRYKSLVTGTRARGVIAVLWVLAFGIGLTPFLGWNSKDSATNNCTEPWDGTTNESCCLVKCLFENVVPMSYMVYFNFFGCVLPPLLIMLVIYIKIFLVACRQLQRTELMDHSRTTLQREIHAAKSLAMIVGIFALCWLPVHAVNCVTLFQPAQGKNKPKWAMNMAILLSHANSVVNPIVYAYRNRDFRYTFHKIISRYLLCQADVKSGNGQAGVQPALGVGL
Inhibitor
Name:
BDBM50176739
Synonyms:
4-(3-((4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazol-5-yl)benzonitrile | CHEMBL199895
Type:
Small organic molecule
Emp. Form.:
C24H23N9O3
Mol. Mass.:
485.4979
SMILES:
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C#N)c1