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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Adenosine receptor A1 | ||
| Ligand | BDBM50199278 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_412713 (CHEMBL908372) | ||
| Ki | 41±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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| BDBM50199278 | |||
| n/a | |||
| Name | BDBM50199278 | ||
| Synonyms: | 8-(4-hydroxymethyl-cyclohexyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione | CHEMBL384139 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C18H28N4O3 | ||
| Mol. Mass. | 348.4399 | ||
| SMILES | CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H]1CC[C@H](CO)CC1 |wU:20.22,wD:17.18,(1.8,-5.44,;3.34,-5.44,;4.11,-6.77,;5.65,-6.77,;6.41,-5.44,;5.94,-3.98,;7.18,-3.07,;8.43,-3.98,;7.96,-5.44,;8.73,-6.77,;10.27,-6.77,;7.96,-8.11,;8.73,-9.44,;10.27,-9.44,;11.04,-8.11,;6.42,-8.11,;5.65,-9.44,;7.19,-1.53,;8.51,-.77,;8.51,.77,;7.19,1.55,;7.18,3.09,;8.52,3.86,;5.86,.77,;5.86,-.77,)| | ||
| Structure | 
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