Ki Summary

Reaction Details

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Target

Neuronal acetylcholine receptor

Ligand

BDBM50211195

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1636036

38±n/a nM

Citation

Cook J; Zusi FC; McDonald IM; King D; Hill MD; Iwuagwu C; Mate RA; Fang H; Zhao R; Wang B; Cutrone J; Ma B; Gao Q; Knox RJ; Matchett M; Gallagher L; Ferrante M; Post-Munson D; Molski T; Easton A; Miller R; Jones K; Digavalli S; Healy F; Lentz K; Benitex Y; Clarke W; Natale J; Siuciak JA; Lodge N; Zaczek R; Denton R; Morgan D; Bristow LJ; Macor JE; Olson RE Design and Synthesis of a New Series of 4-Heteroarylamino-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octanes asa7 Nicotinic Receptor Agonists. 1. Development of Pharmacophore and Early Structure-Activity Relationship. J Med Chem 59:11171-11181 (2016) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Neuronal acetylcholine receptor

Name:

Neuronal acetylcholine receptor

Synonyms:

Cholinergic, Nicotinic Alpha7 | Cholinergic, Nicotinic Alpha7/5-HT3 | Neuronal acetylcholine receptor (alpha7 nAChR) | Neuronal acetylcholine receptor subunit alpha 7 | Neuronal acetylcholine receptor subunit alpha-7 | Neuronal acetylcholine receptor subunit alpha-7 (nAChR alpha7) | Neuronal acetylcholine receptor subunit alpha-7 (nAChR)

Type:

Enzyme

Mol. Mass.:

56502.44

Organism:

Rattus norvegicus (Rat)

Description:

Q05941

Residue:

502

Sequence:

MCGGRGGIWLALAAALLHVSLQGEFQRRLYKELVKNYNPLERPVANDSQPLTVYFSLSLL
QIMDVDEKNQVLTTNIWLQMSWTDHYLQWNMSEYPGVKNVRFPDGQIWKPDILLYNSADE
RFDATFHTNVLVNASGHCQYLPPGIFKSSCYIDVRWFPFDVQQCKLKFGSWSYGGWSLDL
QMQEADISSYIPNGEWDLMGIPGKRNEKFYECCKEPYPDVTYTVTMRRRTLYYGLNLLIP
CVLISALALLVFLLPADSGEKISLGITVLLSLTVFMLLVAEIMPATSDSVPLIAQYFAST
MIIVGLSVVVTVIVLRYHHHDPDGGKMPKWTRIILLNWCAWFLRMKRPGEDKVRPACQHK
PRRCSLASVELSAGAGPPTSNGNLLYIGFRGLEGMHCAPTPDSGVVCGRLACSPTHDEHL
MHGAHPSDGDPDLAKILEEVRYIANRFRCQDESEVICSEWKFAACVVDRLCLMAFSVFTI
ICTIGILMSAPNFVEAVSKDFA

BDBM50211195

n/a

Name

BDBM50211195

Synonyms:

CHEMBL3944506

Type

Small organic molecule

Emp. Form.

C17H20N4O2S

Mol. Mass.

344.431

SMILES

COc1ccc2nc(NC3=NC[C@@]4(CN5CCC4CC5)O3)sc2c1 |r,wU:12.21,t:9,THB:20:12:15.16:19.18,(37.09,-40.85,;35.6,-40.46,;34.52,-41.55,;34.92,-43.04,;33.83,-44.12,;32.35,-43.73,;31.07,-44.57,;29.87,-43.61,;28.38,-44.01,;27.98,-45.5,;28.96,-46.69,;28.12,-47.99,;26.63,-47.59,;26.93,-49.11,;25.44,-48.42,;23.78,-49.14,;23.56,-47.64,;25.16,-46.94,;25.24,-45.16,;25.72,-46.36,;26.55,-46.05,;30.42,-42.17,;31.96,-42.24,;33.04,-41.16,)|

Structure