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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Beta-2 adrenergic receptor | ||
| Ligand | BDBM200742 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Adrenergic Receptor Binding Assay | ||
| Temperature | 298.15±n/a K | ||
| IC50 | 120±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: |
| ||
| BDBM200742 | |||
| n/a | |||
| Name | BDBM200742 | ||
| Synonyms: | US9233108, 2 | US9757383, Example 2 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C39H43N5O7S2 | ||
| Mol. Mass. | 757.918 | ||
| SMILES | CN(CCCn1c2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2[nH]c1=O)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |wU:35.42,wD:13.13,32.35,(6.74,6.38,;5.23,6.06,;4.76,4.59,;5.79,3.45,;5.31,1.99,;6.34,.84,;6.02,-.67,;4.69,-1.44,;4.69,-2.98,;6.02,-3.75,;6.02,-5.29,;7.36,-6.06,;7.36,-7.6,;8.69,-8.37,;10.02,-7.6,;8.69,-9.91,;7.36,-10.68,;7.36,-12.22,;8.69,-12.99,;8.69,-14.53,;10.02,-12.22,;11.36,-12.99,;12.69,-12.22,;14.03,-12.99,;12.69,-10.68,;11.36,-9.91,;10.02,-10.68,;7.36,-2.98,;7.36,-1.44,;8.5,-.4,;7.88,1,;8.65,2.34,;4.2,7.2,;4.68,8.67,;3.65,9.81,;2.14,9.49,;1.67,8.03,;2.7,6.88,;1.11,10.64,;-.39,10.32,;-.87,8.85,;-1.42,11.46,;-.28,12.49,;-2.45,12.61,;-3.99,12.44,;-4.61,13.85,;-3.47,14.88,;-2.13,14.11,;-2.57,10.43,;-2.41,8.9,;-3.81,8.27,;-4.84,9.42,;-4.07,10.75,)| | ||
| Structure | 
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