Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50066857
Substrate
n/a
Meas. Tech.
ChEMBL_1465998 (CHEMBL3406980)
IC50
2.0±n/a nM
Citation
 Prat, M; Buil, MA; Fernández, MD; Tort, L; Monleón, JM; Casals, G; Ferrer, M; Castro, J; Gavaldà, A; Miralpeix, M; Ramos, I; Vilella, D; Huerta, JM; Espinosa, S; Hernández, B; Segarra, V; Córdoba, M Discovery of novel quaternary ammonium derivatives of (3R)-quinuclidinyl amides as potent and long acting muscarinic antagonists. Bioorg Med Chem Lett 25:1736-41 (2015) [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:
BDBM50066857
Synonyms:
CHEMBL3401651
Type:
Small organic molecule
Emp. Form.:
C26H31BrN2O3S2
Mol. Mass.:
563.57
SMILES:
[Br-].OC(C(=O)N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:6.4,(14.66,-2.25,;-.84,-3.54,;.32,-3.97,;1.5,-2.98,;2.66,-3.41,;1.24,-1.46,;2.43,-.47,;3.99,-1.04,;5.25,.01,;6.45,-.91,;6.25,-2.44,;7.48,-3.38,;7.28,-4.9,;8.51,-5.84,;8.31,-7.37,;9.54,-8.3,;10.96,-7.7,;11.15,-6.18,;9.93,-5.24,;4.96,1.62,;3.4,2.19,;2.17,1.13,;3.39,1.58,;4.58,1.15,;.58,-5.49,;1.95,-6.15,;1.73,-7.67,;.21,-7.93,;-.5,-6.57,;.06,-2.45,;-1.46,-2.3,;-1.78,-.79,;-.44,-.03,;.7,-1.07,)|
Structure:
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