Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50296334
Substrate
n/a
Meas. Tech.
[3H]-NMS Binding Assay
IC50
11±n/a nM
Citation
 Fernandez Forner, MD; Prat Quinones, M; Buil Albero, MA Quinuclidine derivatives and medicinal compositions containing the same US Patent  US9333195 Publication Date 5/10/2016 
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:
BDBM50296334
Synonyms:
(3R)-3-{[(9-Hydroxy-9H-xanthen-9-yl)carbonyl]oxy}-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane bromide | CHEMBL562890 | US9333195, 136
Type:
Small organic molecule
Emp. Form.:
C30H32NO5
Mol. Mass.:
486.5782
SMILES:
OC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2Oc2ccccc12 |r,wD:5.4,(30.74,-.3,;29.42,-1.08,;30.75,-1.84,;30.76,-3.39,;32.08,-1.07,;33.42,-1.84,;33.42,-3.38,;34.75,-4.14,;34.74,-5.68,;36.06,-6.46,;37.41,-5.71,;38.73,-6.49,;40.07,-5.73,;41.4,-6.52,;42.74,-5.76,;42.75,-4.22,;41.42,-3.44,;40.08,-4.2,;36.08,-3.38,;36.08,-1.84,;34.75,-1.06,;35.17,-2.3,;34.12,-2.65,;28.08,-1.85,;28.08,-3.38,;26.75,-4.15,;25.41,-3.38,;25.42,-1.84,;26.75,-1.07,;26.74,.47,;28.08,1.23,;28.07,2.76,;29.39,3.53,;30.73,2.77,;30.73,1.24,;29.41,.47,)|
Structure:
Search PDB for entries with ligand similarity: