Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM162551
Substrate
n/a
Meas. Tech.
[3H]-NMS Binding Assay
Temperature
298.15±n/a K
IC50
8.80±n/a nM
Comments
extracted
Citation
 Fernandez Forner, MD; Prat Quinones, M; Buil Albero, MA Quinuclidine derivatives and medicinal compositions containing the same US Patent  US9687478 Publication Date 6/27/2017 
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:
BDBM162551
Synonyms:
US9687478, 128
Type:
Small organic molecule
Emp. Form.:
C30H36NO4
Mol. Mass.:
474.6106
SMILES:
O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1C2C=CC=CC2OC2C=CC=CC12 |wU:3.2,c:26,28,34,36,(1.45,1.9,;1.45,3.44,;.11,4.21,;-1.22,3.44,;-1.22,1.9,;-2.55,1.13,;-2.55,-.41,;-3.89,-1.18,;-3.89,-2.72,;-5.22,-3.49,;-5.22,-5.03,;-6.55,-5.8,;-6.55,-7.35,;-5.22,-8.12,;-3.89,-7.35,;-3.89,-5.8,;-3.19,2.09,;-3.19,3.24,;-2.55,4.21,;-3.89,3.44,;-3.89,1.9,;2.78,4.21,;4.12,3.44,;4.12,1.89,;5.45,1.12,;6.78,1.89,;6.78,3.44,;5.45,4.21,;5.45,5.75,;4.12,6.52,;4.12,8.06,;2.78,8.83,;1.45,8.06,;1.45,6.52,;2.78,5.75,)|
Structure:
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