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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Beta-2 adrenergic receptor | ||
| Ligand | BDBM50569291 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2108813 (CHEMBL4817488) | ||
| Ki | 0.501187±n/a nM | ||
| Citation |  Rancati, F; Linney, ID; Rizzi, A; Delcanale, M; Knight, CK; Schmidt, W; Pastore, F; Riccardi, B; Mileo, V; Carnini, C; Cesari, N; Blackaby, WP; Patacchini, R; Carzaniga, L Discovery of a novel class of inhaled dual pharmacology muscarinic antagonist and ? Bioorg Med Chem Lett41:0 (2021) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Beta-2 adrenergic receptor | |||
| Name: | Beta-2 adrenergic receptor | ||
| Synonyms: | ADRB2 | ADRB2R | ADRB2_HUMAN | B2AR | Beta-2 adrenoceptor | Beta-2 adrenoreceptor | ||
| Type: | n/a | ||
| Mol. Mass.: | 46461.69 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P07550 | ||
| Residue: | 413 | ||
| Sequence: |
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| BDBM50569291 | |||
| n/a | |||
| Name | BDBM50569291 | ||
| Synonyms: | CHEMBL4847910 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C38H46N4O6 | ||
| Mol. Mass. | 654.795 | ||
| SMILES | O[C@@H](CNCCCCCCOc1cccc(c1)[C@@H](NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:22.22,1.0,wD:17.18,(1.78,-6.07,;3.12,-6.84,;4.45,-6.06,;5.79,-6.83,;7.12,-6.05,;8.45,-6.82,;9.78,-6.05,;11.12,-6.81,;12.45,-6.04,;13.79,-6.8,;15.12,-6.03,;16.45,-6.8,;16.45,-8.34,;17.78,-9.11,;19.12,-8.33,;19.11,-6.78,;17.77,-6.02,;20.44,-6,;21.78,-6.76,;23.11,-5.98,;23.1,-4.44,;24.45,-6.75,;25.77,-5.97,;25.76,-4.44,;27.1,-3.67,;28.44,-4.43,;28.44,-5.97,;27.11,-6.75,;27.81,-5.39,;26.32,-4.99,;20.43,-4.46,;21.76,-3.69,;21.76,-2.16,;20.42,-1.39,;19.08,-2.17,;19.1,-3.71,;3.12,-8.38,;1.79,-9.15,;1.79,-10.69,;3.13,-11.46,;3.13,-13,;4.46,-10.69,;5.79,-11.46,;7.13,-10.69,;8.46,-11.46,;7.13,-9.14,;5.79,-8.36,;4.46,-9.14,)| | ||
| Structure | 
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