Reaction Details Report a problem with these data
Target
Neuronal acetylcholine receptor subunit alpha-7
Ligand
BDBM50164918
Substrate
n/a
Meas. Tech.
ChEMBL_303552 (CHEMBL828952)
Ki
144±n/a nM
Citation
 Mazurov, A; Klucik, J; Miao, L; Phillips, TY; Seamans, A; Schmitt, JD; Hauser, TA; Johnson, RT; Miller, C 2-(Arylmethyl)-3-substituted quinuclidines as selective alpha 7 nicotinic receptor ligands. Bioorg Med Chem Lett 15:2073-7 (2005) [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:
BDBM50164918
Synonyms:
(4-Bromo-phenyl)-carbamic acid (2R,3R)-2-(5-methoxy-pyridin-3-ylmethyl)-1-aza-bicyclo[2.2.2]oct-3-yl ester | CHEMBL195731
Type:
Small organic molecule
Emp. Form.:
C21H24BrN3O3
Mol. Mass.:
446.338
SMILES:
COc1cncc(C[C@@H]2[C@H](OC(=O)Nc3ccc(Br)cc3)C3CCN2CC3)c1 |wU:9.9,8.7,(11.48,-5.65,;11.46,-4.11,;10.13,-3.36,;8.8,-4.13,;7.47,-3.36,;7.47,-1.82,;8.8,-1.06,;8.8,.48,;7.47,1.25,;7.47,2.79,;8.8,3.56,;10.13,2.79,;10.13,1.25,;11.48,3.56,;12.81,2.78,;12.79,1.24,;14.12,.47,;15.47,1.23,;16.81,.46,;15.47,2.78,;14.14,3.55,;6.14,3.57,;4.81,2.79,;4.81,1.25,;6.14,.49,;6.7,1.47,;5.37,2.24,;10.13,-1.82,)|
Structure:
Search PDB for entries with ligand similarity: