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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Beta-2 adrenergic receptor | ||
| Ligand | BDBM200752 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Adrenergic Receptor Binding Assay | ||
| Temperature | 298.15±n/a K | ||
| IC50 | 13±n/a nM | ||
| Comments | extracted | ||
| Citation |  Aiguade Bosch, J; Gual Roig, S; Prat Quinones, M; Puig Duran, C Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities US Patent US9233108 Publication Date 1/12/2016 | ||
| 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: |
| ||
| BDBM200752 | |||
| n/a | |||
| Name | BDBM200752 | ||
| Synonyms: | US9233108, 17 | US9757383, Example 16 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C39H48N6O6S | ||
| Mol. Mass. | 728.9 | ||
| SMILES | CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc12)[C@H]1CC[C@@H](CC1)OC(=O)[C@@](O)(C1CCCC1)c1cccs1 |wU:40.45,34.41,wD:40.44,14.14,31.34,(9.03,5.39,;7.52,5.07,;7.04,3.6,;8.07,2.46,;7.6,.99,;8.63,-.15,;10.16,.01,;10.79,-1.4,;9.64,-2.43,;9.64,-3.97,;8.31,-4.74,;8.31,-6.28,;9.64,-7.05,;9.64,-8.59,;10.98,-9.36,;12.31,-8.59,;10.98,-10.9,;9.64,-11.67,;9.64,-13.21,;10.98,-13.98,;10.98,-15.52,;12.31,-13.21,;13.64,-13.98,;14.98,-13.21,;16.31,-13.98,;14.98,-11.67,;13.64,-10.9,;12.31,-11.67,;6.97,-3.97,;6.97,-2.43,;8.31,-1.66,;6.49,6.21,;6.97,7.68,;5.93,8.82,;4.43,8.5,;3.95,7.04,;4.98,5.89,;3.4,9.65,;1.89,9.32,;1.42,7.86,;.86,10.47,;-.28,9.44,;2.01,11.5,;1.84,13.03,;3.25,13.66,;4.28,12.51,;3.51,11.18,;-.17,11.61,;-1.7,11.45,;-2.33,12.86,;-1.18,13.89,;.15,13.12,)| | ||
| Structure | 
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