Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Beta-2 adrenergic receptor | ||
Ligand | BDBM221911 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Adrenergic Receptor Binding Assay | ||
Temperature | 298.15±n/a K | ||
IC50 | 1.3±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: |
| ||
BDBM221911 | |||
n/a | |||
Name | BDBM221911 | ||
Synonyms: | US9315463, 28 | ||
Type | Small organic molecule | ||
Emp. Form. | C42H51ClN4O9 | ||
Mol. Mass. | 791.329 | ||
SMILES | COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)[C@@](O)(C2CCCC2)c2ccccc2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:42.46,16.19,22.22,wD:13.12,22.23,(-6.31,-3.88,;-4.98,-3.11,;-4.98,-1.57,;-3.64,-.8,;-3.64,.74,;-2.31,1.51,;-.98,.74,;-.98,-.8,;.36,1.51,;1.69,.74,;3.02,1.51,;4.36,.74,;4.36,-.8,;5.69,1.51,;7.03,.74,;8.36,1.51,;8.36,3.05,;7.03,3.82,;5.69,3.05,;9.69,3.82,;11.03,3.05,;11.03,1.51,;12.36,3.82,;13.13,2.49,;12.36,5.36,;13.61,6.27,;13.13,7.73,;11.59,7.73,;11.11,6.27,;13.9,3.82,;14.67,2.49,;16.21,2.49,;16.98,3.82,;16.21,5.15,;14.67,5.15,;-4.98,1.51,;-4.98,3.05,;-6.31,.74,;-6.31,-.8,;-7.64,-1.57,;-8.98,-.8,;-10.31,-1.57,;-11.65,-.8,;-11.65,.74,;-12.98,-1.57,;-14.31,-.8,;-15.65,-1.57,;-15.65,-3.11,;-16.98,-3.88,;-14.31,-3.88,;-14.31,-5.42,;-12.98,-6.19,;-12.98,-7.73,;-11.65,-5.42,;-11.65,-3.88,;-12.98,-3.11,)| | ||
Structure |