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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Alpha-2A adrenergic receptor | ||
| Ligand | BDBM50170177 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_306231 (CHEMBL831139) | ||
| IC50 | 31±n/a nM | ||
| Citation |  Kanuma, K; Omodera, K; Nishiguchi, M; Funakoshi, T; Chaki, S; Semple, G; Tran, TA; Kramer, B; Hsu, D; Casper, M; Thomsen, B; Sekiguchi, Y Lead optimization of 4-(dimethylamino)quinazolines, potent and selective antagonists for the melanin-concentrating hormone receptor 1. Bioorg Med Chem Lett15:3853-6 (2005) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Alpha-2A adrenergic receptor | |||
| Name: | Alpha-2A adrenergic receptor | ||
| Synonyms: | ADA2A_HUMAN | ADRA2A | ADRA2R | ADRAR | Adrenergic alpha2A | Adrenergic receptor alpha | Alpha-2 adrenergic receptor subtype C10 | Alpha-2A adrenoceptor | Alpha-2A adrenoreceptor | Alpha-2AAR | alpha-2A adrenergic receptor [Homo sapiens] | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 48979.91 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P08913 | ||
| Residue: | 465 | ||
| Sequence: |
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| BDBM50170177 | |||
| n/a | |||
| Name | BDBM50170177 | ||
| Synonyms: | CHEMBL360117 | trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzamide | ||
| Type | Small organic molecule | ||
| Emp. Form. | C26H31BrF3N5O | ||
| Mol. Mass. | 566.456 | ||
| SMILES | CN(C)c1nc(NCC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-6.75,-12.89,;-5.42,-13.66,;-4.07,-12.89,;-5.42,-15.21,;-4.07,-15.98,;-4.07,-17.52,;-2.73,-18.32,;-1.39,-17.54,;-.06,-18.31,;1.27,-17.54,;2.6,-18.32,;2.6,-19.86,;3.94,-20.63,;5.27,-19.85,;6.6,-20.62,;7.93,-19.84,;7.91,-18.31,;9.24,-17.52,;10.59,-18.28,;11.92,-17.5,;10.6,-19.83,;9.27,-20.61,;9.27,-22.15,;10.62,-22.92,;11.84,-23.62,;10.88,-24.5,;12.12,-22.34,;1.26,-20.61,;-.06,-19.84,;-5.42,-18.29,;-6.75,-17.52,;-8.08,-18.29,;-9.41,-17.52,;-9.41,-15.99,;-8.08,-15.21,;-6.75,-15.98,)| | ||
| Structure | 
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