Reaction Details | |||
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Report a problem with these data | |||
Target | Beta-2 adrenergic receptor | ||
Ligand | BDBM221910 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Adrenergic Receptor Binding Assay | ||
Temperature | 298.15±n/a K | ||
IC50 | 0.38±n/a nM | ||
Comments | extracted | ||
Citation | Prat Quinones, M; Fonquerna Pou, S; Puig Duran, C; Lumeras Amador, W; Aiguade Bosch, J; Caturla Jovaloyes, JF Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities US Patent US9315463 Publication Date 4/19/2016 | ||
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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BDBM221910 | |||
n/a | |||
Name | BDBM221910 | ||
Synonyms: | US9315463, 26 | ||
Type | Small organic molecule | ||
Emp. Form. | C38H43ClN4O10S2 | ||
Mol. Mass. | 815.352 | ||
SMILES | COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2NC(=O)COc12 |r,wU:41.45,16.19,wD:13.12,(-2.73,-3.84,;-4.06,-3.07,;-4.06,-1.53,;-2.73,-.76,;-2.73,.78,;-1.39,1.55,;-.06,.78,;-.06,-.76,;1.27,1.55,;2.61,.78,;3.94,1.55,;5.28,.78,;5.28,-.76,;6.61,1.55,;7.94,.78,;9.28,1.55,;9.28,3.09,;7.94,3.86,;6.61,3.09,;10.61,3.86,;11.94,3.09,;11.94,1.55,;13.28,3.86,;14.61,4.63,;14.05,2.53,;13.57,1.06,;14.82,.16,;16.06,1.06,;15.59,2.53,;12.51,5.2,;13.41,6.44,;12.51,7.69,;11.04,7.21,;11.04,5.67,;-4.06,1.55,;-4.06,3.09,;-5.39,.78,;-5.39,-.76,;-6.73,-1.53,;-8.06,-.76,;-9.39,-1.53,;-10.73,-.76,;-10.73,.78,;-12.06,-1.53,;-13.4,-.76,;-14.73,-1.53,;-14.73,-3.07,;-16.06,-3.84,;-13.4,-3.84,;-13.4,-5.38,;-12.06,-6.15,;-12.06,-7.69,;-10.73,-5.38,;-10.73,-3.84,;-12.06,-3.07,)| | ||
Structure |