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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Adenosine receptor A1 | ||
| Ligand | BDBM50199279 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_412713 (CHEMBL908372) | ||
| Ki | 109±n/a nM | ||
| Citation |  Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Potent and orally bioavailable 8-bicyclo[2.2.2]octylxanthines as adenosine A1 receptor antagonists. J Med Chem49:7119-31 (2006) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Adenosine receptor A1 | |||
| Name: | Adenosine receptor A1 | ||
| Synonyms: | A1 adenosine receptor (hA1) | A1AR | AA1R_HUMAN | ADENOSINE A1 | ADORA1 | Adenosine A1 receptor (A1AR) | Adenosine A1-receptor | Adenosine receptor A1 (A1) | Adenosine receptor A1 (hA1) | Adenosine transporter (AdT) | ||
| Type: | G Protein-Coupled Receptor (GPCR) | ||
| Mol. Mass.: | 36520.92 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P30542 | ||
| Residue: | 326 | ||
| Sequence: |
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| BDBM50199279 | |||
| n/a | |||
| Name | BDBM50199279 | ||
| Synonyms: | CHEMBL274199 | trans-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclohexyl]-carbamic acid benzyl ester | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H33N5O4 | ||
| Mol. Mass. | 467.5606 | ||
| SMILES | CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H]1CC[C@@H](CC1)NC(=O)OCc1ccccc1 |wU:20.25,wD:17.18,(-9.79,-7.52,;-8.25,-7.52,;-7.48,-8.85,;-5.94,-8.85,;-5.18,-7.52,;-5.65,-6.05,;-4.4,-5.15,;-3.16,-6.05,;-3.63,-7.52,;-2.86,-8.85,;-1.32,-8.84,;-3.63,-10.18,;-2.86,-11.52,;-1.32,-11.52,;-.55,-10.18,;-5.17,-10.19,;-5.94,-11.52,;-4.4,-3.61,;-3.07,-2.85,;-3.07,-1.31,;-4.4,-.53,;-5.73,-1.31,;-5.73,-2.85,;-4.41,1.01,;-3.07,1.79,;-3.08,3.33,;-1.74,1.02,;-.41,1.79,;.93,1.03,;.92,-.52,;2.26,-1.28,;3.59,-.51,;3.58,1.04,;2.25,1.8,)| | ||
| Structure | 
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