Reaction Details Report a problem with these data
Target
Neuronal acetylcholine receptor subunit alpha-7
Ligand
BDBM50211221
Substrate
n/a
Meas. Tech.
ChEMBL_1636027 (CHEMBL3878925)
EC50
3100±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.:
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:
BDBM50211221
Synonyms:
CHEMBL3982852
Type:
Small organic molecule
Emp. Form.:
C16H18N4OS
Mol. Mass.:
314.405
SMILES:
C1N=C(Nc2ccc3scnc3c2)OC11CN2CCC1CC2 |t:1,THB:13:14:17.18:21.20,(27.32,-19.86,;28.16,-18.56,;27.19,-17.37,;27.58,-15.88,;29.07,-15.48,;29.45,-14,;30.93,-13.6,;32.03,-14.68,;33.57,-14.59,;34.13,-16.03,;32.94,-17,;31.64,-16.17,;30.15,-16.57,;25.75,-17.93,;25.84,-19.46,;26.14,-20.98,;24.65,-20.29,;22.99,-21.01,;22.77,-19.51,;24.37,-18.81,;24.45,-17.03,;24.92,-18.24,)|