Reaction Details | |||
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Report a problem with these data | |||
Target | Beta-2 adrenergic receptor | ||
Ligand | BDBM221912 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Adrenergic Receptor Binding Assay | ||
Temperature | 298.15±n/a K | ||
IC50 | 1.1±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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BDBM221912 | |||
n/a | |||
Name | BDBM221912 | ||
Synonyms: | US9315463, 29 | ||
Type | Small organic molecule | ||
Emp. Form. | C40H49ClN4O9S | ||
Mol. Mass. | 797.356 | ||
SMILES | COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)[C@@](O)(C2CCCC2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:41.45,16.19,22.30,wD:13.12,22.23,(-5.85,-3.78,;-4.52,-3.01,;-4.52,-1.47,;-3.19,-.7,;-3.19,.84,;-1.85,1.61,;-.52,.84,;-.52,-.7,;.82,1.61,;2.15,.84,;3.48,1.61,;4.82,.84,;4.82,-.7,;6.15,1.61,;7.48,.84,;8.82,1.61,;8.82,3.15,;7.48,3.92,;6.15,3.15,;10.15,3.92,;11.49,3.15,;11.49,1.61,;12.82,3.92,;14.15,4.69,;12.05,5.26,;12.52,6.72,;11.28,7.63,;10.03,6.72,;10.51,5.26,;14.15,3.15,;14.15,1.61,;15.62,1.14,;16.52,2.38,;15.62,3.63,;-4.52,1.61,;-4.52,3.15,;-5.85,.84,;-5.85,-.7,;-7.19,-1.47,;-8.52,-.7,;-9.85,-1.47,;-11.19,-.7,;-11.19,.84,;-12.52,-1.47,;-13.85,-.7,;-15.19,-1.47,;-15.19,-3.01,;-16.52,-3.78,;-13.85,-3.78,;-13.85,-5.32,;-12.52,-6.09,;-12.52,-7.63,;-11.19,-5.32,;-11.19,-3.78,;-12.52,-3.01,)| | ||
Structure |