Reaction Details | |||
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Target | Beta-2 adrenergic receptor | ||
Ligand | BDBM50595427 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2216668 (CHEMBL5129800) | ||
Ki | 0.025119±n/a nM | ||
Citation | Carzaniga, L; Linney, ID; Rizzi, A; Delcanale, M; Schmidt, W; Knight, CK; Pastore, F; Miglietta, D; Carnini, C; Cesari, N; Riccardi, B; Mileo, V; Venturi, L; Moretti, E; Blackaby, WP; Patacchini, R; Accetta, A; Biagetti, M; Bassani, F; Tondelli, M; Murgo, A; Battipaglia, L; Villetti, G; Puccini, P; Catinella, S; Civelli, M; Rancati, F Discovery of Clinical Candidate CHF-6366: A Novel Super-soft Dual Pharmacology Muscarinic Antagonist and ? J Med Chem65:10233-10250 (2022) [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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BDBM50595427 | |||
n/a | |||
Name | BDBM50595427 | ||
Synonyms: | CHEMBL5200887 | ||
Type | Small organic molecule | ||
Emp. Form. | C45H50N4O9 | ||
Mol. Mass. | 790.8999 | ||
SMILES | COc1cc(ccc1COc1cccc(c1)[C@@H](NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)C(=O)OCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:44.49,wD:16.18,21.22,(3.34,-1.15,;3.34,.39,;2,1.16,;.67,.39,;-.67,1.15,;-.67,2.69,;.67,3.47,;2,2.7,;3.33,3.47,;4.67,2.7,;6,3.47,;6,5.01,;7.33,5.78,;8.67,5.02,;8.67,3.48,;7.33,2.7,;10,2.71,;10,1.17,;8.67,.4,;7.34,1.16,;8.67,-1.14,;7.34,-1.92,;6.01,-1.15,;4.67,-1.92,;6.1,-1.92,;5.92,-3.46,;7.34,-3.46,;6.01,-4.23,;4.68,-3.46,;11.33,3.48,;11.33,5.02,;12.67,5.79,;14,5.02,;14,3.48,;12.67,2.71,;-2,.38,;-2,-1.16,;-3.33,1.15,;-4.67,.38,;-6,1.15,;-7.33,.38,;-8.67,1.14,;-10,.37,;-11.33,1.14,;-12.67,.37,;-14,1.14,;-12.67,-1.17,;-14,-1.94,;-14,-3.48,;-12.66,-4.25,;-12.66,-5.79,;-11.33,-3.48,;-9.99,-4.25,;-8.66,-3.48,;-7.33,-4.24,;-8.66,-1.94,;-10,-1.17,;-11.33,-1.94,)| | ||
Structure |