Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Adenosine receptor A1 | ||
Ligand | BDBM50210818 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2160164 (CHEMBL5044914) | ||
Ki | 7.7±n/a nM | ||
Citation | Val, C; Rodríguez-García, C; Prieto-Díaz, R; Crespo, A; Azuaje, J; Carbajales, C; Majellaro, M; Díaz-Holguín, A; Brea, JM; Loza, MI; Gioé-Gallo, C; Contino, M; Stefanachi, A; García-Mera, X; Estévez, JC; Gutiérrez-de-Terán, H; Sotelo, E Optimization of 2-Amino-4,6-diarylpyrimidine-5-carbonitriles as Potent and Selective A J Med Chem65:2091-2106 (2022) [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: |
| ||
BDBM50210818 | |||
n/a | |||
Name | BDBM50210818 | ||
Synonyms: | CHEMBL3937015 | ||
Type | Small organic molecule | ||
Emp. Form. | C26H25N3O | ||
Mol. Mass. | 395.4962 | ||
SMILES | O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1 |r,wU:4.7,wD:1.0,(25.3,-7.48,;23.97,-8.25,;22.62,-7.49,;21.3,-8.28,;21.31,-9.82,;22.65,-10.57,;23.98,-9.79,;19.99,-10.6,;20,-12.14,;21.34,-12.9,;21.35,-14.44,;20.02,-15.22,;20.03,-16.76,;18.7,-17.54,;18.72,-19.08,;20.06,-19.83,;20.07,-21.37,;21.4,-22.13,;22.73,-21.35,;22.72,-19.82,;21.39,-19.06,;21.37,-17.52,;18.68,-14.46,;18.67,-12.92,;17.35,-15.24,;16.01,-14.48,;14.68,-15.26,;14.69,-16.8,;16.04,-17.56,;17.36,-16.78,)| | ||
Structure |