Reaction Details | |||
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Target | Neuronal acetylcholine receptor subunit alpha-4/beta-2 | ||
Ligand | BDBM50232608 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1648186 (CHEMBL3997242) | ||
EC50 | >100000±n/a nM | ||
Citation | Iwuagwu, C; King, D; McDonald, IM; Cook, J; Zusi, FC; Hill, MD; Mate, RA; Fang, H; Knox, R; Gallagher, L; Post-Munson Amy Easton, D; Miller, R; Benitex, Y; Siuciak, J; Lodge, N; Zaczek, R; Morgan, D; Bristow, L; Macor, JE; Olson, RE Design and synthesis of a novel series of 4-heteroarylamino-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octanes asa7 nicotinic receptor agonists 2. Development of 4-heteroaryl SAR. Bioorg Med Chem Lett27:1261-1266 (2017) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Neuronal acetylcholine receptor subunit alpha-4/beta-2 | |||
Name: | Neuronal acetylcholine receptor subunit alpha-4/beta-2 | ||
Synonyms: | Neuronal acetylcholine receptor Alpha-4/Beta-2 | Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit | Neuronal acetylcholine receptor; alpha4/beta2 | nAChR subtypes alpha4 beta2 | ||
Type: | Protein | ||
Mol. Mass.: | n/a | ||
Description: | n/a | ||
Components: | This complex has 2 components. | ||
Component 1 | |||
Name: | Neuronal acetylcholine receptor subunit alpha-4 | ||
Synonyms: | ACHA4_HUMAN | CHRNA4 | CHRNA4 protein | NACRA4 | Neuronal acetylcholine receptor protein alpha-4 subunit | Neuronal acetylcholine receptor subunit alpha 4 beta 2 | Nicotinic acetylcholine receptor alpha4/beta2/alpha5 | ||
Type: | n/a | ||
Mol. Mass.: | 69963.49 | ||
Organism: | Homo sapiens (Human) | ||
Description: | NACHRA4 | ||
Residue: | 627 | ||
Sequence: |
| ||
Component 2 | |||
Name: | Neuronal acetylcholine receptor subunit beta-2 | ||
Synonyms: | ACHB2_HUMAN | CHRNB2 | Neuronal acetylcholine receptor protein beta-2 subunit | Nicotinic acetylcholine receptor alpha3/beta2/alpha5 | ||
Type: | Protein | ||
Mol. Mass.: | 57020.50 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P17787 | ||
Residue: | 502 | ||
Sequence: |
| ||
BDBM50232608 | |||
n/a | |||
Name | BDBM50232608 | ||
Synonyms: | CHEMBL4071766 | ||
Type | Small organic molecule | ||
Emp. Form. | C20H23N5O | ||
Mol. Mass. | 349.4295 | ||
SMILES | Cc1cccc(c1)-c1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)nc1 |r,wU:15.25,t:13,TLB:23:15:19.18:21.22,THB:14:15:19.18:21.22,(60.25,-21.45,;59.49,-22.79,;60.27,-24.13,;59.49,-25.47,;57.95,-25.47,;57.18,-24.13,;57.95,-22.8,;55.65,-24.13,;54.88,-25.47,;53.34,-25.47,;52.58,-24.13,;51.04,-24.13,;50.27,-25.46,;50.89,-26.87,;49.75,-27.9,;48.42,-27.13,;48.4,-28.54,;46.24,-28.01,;46.25,-26.21,;46.81,-24.93,;46.89,-26.46,;45.49,-27.21,;45.17,-28.77,;48.74,-25.62,;53.34,-22.8,;54.88,-22.79,)| | ||
Structure |