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Target
Neuronal acetylcholine receptor subunit alpha-7
Ligand
BDBM50513610
Substrate
n/a
Meas. Tech.
ChEMBL_1853690 (CHEMBL4354314)
Ki
39±n/a nM
Citation
 Ouach, A; Vercouillie, J; Bertrand, E; Rodrigues, N; Pin, F; Serriere, S; Boiaryna, L; Chartier, A; Percina, N; Tangpong, P; Gulhan, Z; Mothes, C; Deloye, JB; Guilloteau, D; Page, G; Suzenet, F; Buron, F; Chalon, S; Routier, S Bis(het)aryl-1,2,3-triazole quinuclidines as ?7 nicotinic acetylcholine receptor ligands: Synthesis, structure affinity relationships, agonism activity, [ Eur J Med Chem 179:449-469 (2019) [PubMed]  Article
Target
Name:
Neuronal acetylcholine receptor subunit alpha-7
Synonyms:
ACHA7_RAT | Acra7 | Cholinergic, Nicotinic Alpha7 | Cholinergic, Nicotinic Alpha7/5-HT3 | Chrna7 | Neuronal acetylcholine receptor | 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:
MCGGRGGIWLALAAALLHVSLQGEFQRRLYKELVKNYNPLERPVANDSQPLTVYFSLSLLQIMDVDEKNQVLTTNIWLQMSWTDHYLQWNMSEYPGVKNVRFPDGQIWKPDILLYNSADERFDATFHTNVLVNASGHCQYLPPGIFKSSCYIDVRWFPFDVQQCKLKFGSWSYGGWSLDLQMQEADISSYIPNGEWDLMGIPGKRNEKFYECCKEPYPDVTYTVTMRRRTLYYGLNLLIPCVLISALALLVFLLPADSGEKISLGITVLLSLTVFMLLVAEIMPATSDSVPLIAQYFASTMIIVGLSVVVTVIVLRYHHHDPDGGKMPKWTRIILLNWCAWFLRMKRPGEDKVRPACQHKPRRCSLASVELSAGAGPPTSNGNLLYIGFRGLEGMHCAPTPDSGVVCGRLACSPTHDEHLMHGAHPSDGDPDLAKILEEVRYIANRFRCQDESEVICSEWKFAACVVDRLCLMAFSVFTIICTIGILMSAPNFVEAVSKDFA
  
Inhibitor
Name:
BDBM50513610
Synonyms:
CHEMBL4587710
Type:
Small organic molecule
Emp. Form.:
C27H34N6
Mol. Mass.:
442.5991
SMILES:
CN1CCN(Cc2cccc(c2)-c2cccc(c2)-c2cn(nn2)[C@H]2CN3CCC2CC3)CC1 |r,wU:23.25,(40.43,-40.29,;39.68,-41.6,;40.44,-42.91,;39.68,-44.21,;38.17,-44.22,;37.42,-45.53,;35.91,-45.54,;35.13,-44.2,;33.58,-44.21,;32.82,-45.55,;33.6,-46.88,;35.14,-46.88,;32.83,-48.21,;33.6,-49.55,;32.83,-50.88,;31.29,-50.88,;30.52,-49.55,;31.29,-48.21,;28.99,-49.55,;27.96,-50.69,;26.55,-50.06,;26.71,-48.52,;28.22,-48.2,;25.21,-50.83,;25.21,-52.37,;23.88,-53.14,;22.54,-52.37,;22.54,-50.83,;23.88,-50.05,;24.25,-51.39,;23.41,-51.84,;37.41,-42.91,;38.16,-41.6,)|
Structure:
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