Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Adenosine receptor A1 | ||
Ligand | BDBM50199271 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_412713 (CHEMBL908372) | ||
Ki | 46±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: |
| ||
BDBM50199271 | |||
n/a | |||
Name | BDBM50199271 | ||
Synonyms: | 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclohexanecarboxylic acid butylamide | CHEMBL217085 | ||
Type | Small organic molecule | ||
Emp. Form. | C22H35N5O3 | ||
Mol. Mass. | 417.545 | ||
SMILES | CCCCNC(=O)[C@H]1CC[C@@H](CC1)c1nc2c([nH]1)n(CCC)c(=O)n(CCC)c2=O |wU:7.6,wD:10.13,(.75,-15.2,;-.58,-15.97,;-1.91,-15.2,;-3.25,-15.97,;-4.58,-15.2,;-5.92,-15.97,;-7.25,-15.2,;-5.91,-17.51,;-4.58,-18.29,;-4.58,-19.83,;-5.91,-20.59,;-7.24,-19.83,;-7.24,-18.29,;-5.91,-22.13,;-4.67,-23.03,;-5.14,-24.5,;-6.68,-24.5,;-7.16,-23.03,;-7.45,-25.83,;-8.99,-25.83,;-9.76,-24.49,;-11.3,-24.49,;-6.68,-27.16,;-7.45,-28.5,;-5.14,-27.16,;-4.37,-28.5,;-2.83,-28.5,;-2.06,-27.16,;-4.37,-25.83,;-2.83,-25.82,)| | ||
Structure |