Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM228847
Substrate
n/a
Meas. Tech.
[3H]-NMS Binding Assay
IC50
22±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:
BDBM228847
Synonyms:
US9333195, 7 | US9687478, 7
Type:
Small Organic Molecule
Emp. Form.:
C31H36NO3
Mol. Mass.:
470.6219
SMILES:
CC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |wU:5.4,TLB:4:5:18.19:21.22,(4.32,2.14,;5.28,.94,;4.08,-.02,;2.64,.54,;4.31,-1.55,;3.1,-2.51,;3.39,-3.93,;1.99,-3.28,;1.97,-4.82,;3.29,-5.61,;3.26,-7.15,;4.59,-7.94,;4.56,-9.48,;5.89,-10.27,;5.86,-11.81,;4.52,-12.56,;3.2,-11.77,;3.22,-10.23,;2.25,-1.34,;1.79,-.21,;1.72,-1.89,;.22,-2.54,;.42,-3.95,;6.49,1.9,;6.26,3.42,;7.46,4.38,;8.9,3.81,;9.12,2.29,;7.92,1.33,;6.24,-.27,;7.76,-.04,;8.72,-1.24,;8.16,-2.68,;6.64,-2.91,;5.68,-1.7,)|
Structure:
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