Reaction Details Report a problem with these data
Target
Neuronal acetylcholine receptor subunit alpha-7
Ligand
BDBM50364884
Substrate
n/a
Meas. Tech.
ChEMBL_803919 (CHEMBL1954606)
Ki
3.9±n/a nM
Citation
 Schrimpf, MR; Sippy, KB; Briggs, CA; Anderson, DJ; Li, T; Ji, J; Frost, JM; Surowy, CS; Bunnelle, WH; Gopalakrishnan, M; Meyer, MD SAR ofa7 nicotinic receptor agonists derived from tilorone: exploration of a novel nicotinic pharmacophore. Bioorg Med Chem Lett 22:1633-8 (2012) [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:
BDBM50364884
Synonyms:
CHEMBL1950165
Type:
Small organic molecule
Emp. Form.:
C19H19NO3S
Mol. Mass.:
341.424
SMILES:
O=S1(=O)c2ccccc2-c2ccc(O[C@H]3CN4CCC3CC4)cc12 |r,wD:14.14,(46.6,-11.14,;45.82,-12.47,;45.06,-11.13,;44.57,-13.37,;43.07,-13.04,;42.03,-14.19,;42.51,-15.65,;44.01,-15.98,;45.04,-14.84,;46.58,-14.84,;47.59,-16,;49.11,-15.7,;49.6,-14.25,;51.11,-13.95,;52.13,-15.11,;51.62,-16.57,;52.63,-17.73,;54.15,-17.44,;54.65,-15.98,;53.64,-14.81,;52.54,-15.89,;53.87,-16.67,;48.59,-13.08,;47.08,-13.39,)|
Structure:
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