Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50267470
Substrate
n/a
Meas. Tech.
ChEMBL_562970 (CHEMBL1015369)
IC50
2824000±n/a nM
Citation
 Lainé, DI; McCleland, B; Thomas, S; Neipp, C; Underwood, B; Dufour, J; Widdowson, KL; Palovich, MR; Blaney, FE; Foley, JJ; Webb, EF; Luttmann, MA; Burman, M; Belmonte, K; Salmon, M Discovery of novel 1-azoniabicyclo[2.2.2]octane muscarinic acetylcholine receptor antagonists. J Med Chem 52:2493-505 (2009) [PubMed]  Article 
Target
Name:
Muscarinic acetylcholine receptor M3
Synonyms:
ACM3_HUMAN | CHRM3 | Cholinergic, muscarinic M3 | Muscarinic Receptors M3 | Muscarinic receptor M3 | RecName: Full=Muscarinic acetylcholine receptor M3
Type:
Enzyme
Mol. Mass.:
66151.03
Organism:
Homo sapiens (Human)
Description:
P20309
Residue:
590
Sequence:
MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPLGGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSMKRSNRRKYGRCHFWFTTKSWKPSSEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPEEELGMVDLERKADKLQAQKSVDDGGSFPKSFSKLPIQLESAVDTAKTSDVNSSVGKSTATLPLSFKEATLAKRFALKTRSQITKRKRMSLVKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTFWNLGYWLCYINSTVNPVCYALCNKTFRTTFKMLLLCQCDKKKRRKQQYQQRQSVIFHKRAPEQAL
  
Inhibitor
Name:
BDBM50267470
Synonyms:
3-[Hydroxy(diphenyl)methyl]-1-(2-phenylethyl)-1-azoniabicyclo[2.2.2]octane Bromide | CHEMBL516120
Type:
Small organic molecule
Emp. Form.:
C28H32NO
Mol. Mass.:
398.5592
SMILES:
OC(C1C[N+]2(CCc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |(10.91,-21.64,;10.13,-22.98,;8.8,-22.2,;8.8,-20.65,;7.46,-19.87,;7.44,-18.33,;8.77,-17.55,;8.75,-16.01,;10.08,-15.23,;10.07,-13.69,;8.72,-12.93,;7.39,-13.72,;7.41,-15.26,;6.12,-20.65,;6.12,-22.2,;7.46,-22.97,;8.11,-21.68,;6.82,-21.05,;9.37,-24.32,;7.83,-24.32,;7.07,-25.65,;7.85,-26.99,;9.4,-26.97,;10.15,-25.63,;11.46,-23.75,;11.45,-25.28,;12.77,-26.05,;14.1,-25.28,;14.1,-23.75,;12.78,-22.99,)|
Structure:
Search PDB for entries with ligand similarity: