Reaction Details | |||
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Target | Beta-2 adrenergic receptor | ||
Ligand | BDBM200744 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Adrenergic Receptor Binding Assay | ||
Temperature | 298.15±n/a K | ||
IC50 | 2.7±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: |
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BDBM200744 | |||
n/a | |||
Name | BDBM200744 | ||
Synonyms: | US9233108, 5 | US9757383, Example 5 | ||
Type | Small organic molecule | ||
Emp. Form. | C40H43N5O7S2 | ||
Mol. Mass. | 769.929 | ||
SMILES | CN(CCCc1nc(no1)-c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |wU:36.43,wD:17.18,33.36,(6.52,7.15,;4.99,6.98,;4.37,5.58,;5.27,4.33,;4.65,2.92,;5.55,1.68,;5.07,.21,;6.32,-.69,;7.57,.21,;7.09,1.68,;6.32,-2.23,;7.65,-3,;7.65,-4.54,;6.32,-5.31,;6.32,-6.85,;7.65,-7.62,;7.65,-9.16,;8.99,-9.93,;10.32,-9.16,;8.99,-11.47,;7.65,-12.24,;7.65,-13.78,;8.99,-14.55,;8.99,-16.09,;10.32,-13.78,;11.66,-14.55,;12.99,-13.78,;14.32,-14.55,;12.99,-12.24,;11.66,-11.47,;10.32,-12.24,;4.99,-4.54,;4.99,-3,;4.09,8.23,;4.71,9.64,;3.81,10.88,;2.28,10.72,;1.65,9.31,;2.56,8.07,;1.37,11.97,;-.16,11.81,;-.79,10.4,;-1.06,13.05,;.18,13.96,;-1.97,14.3,;-3.51,14.3,;-3.99,15.76,;-2.74,16.67,;-1.49,15.76,;-2.31,12.15,;-2.31,10.61,;-3.77,10.13,;-4.68,11.38,;-3.77,12.62,)| | ||
Structure |