Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM325620
Substrate
n/a
Meas. Tech.
M3 Binding Assay
IC50
5.5±n/a nM
Citation
 Amari, G; Armani, E; Blackaby, W; Van De Poeol, H; Baker-Glenn, C; Trivedi, N Aminoester derivatives US Patent  US9636336 Publication Date 5/2/2017 
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:
BDBM325620
Synonyms:
US9636336, Example 10 | US9636336, Example 63 | US9636336, Example 64 | [(1S)-2-(3,5-dichloro-1-oxido-pyridin-1-ium-4-yl)-1-(3,4-dimethoxyphenyl)ethyl]5-[[[2-oxo-1-phenyl-2-[[(3S)-quinuclidin-3-yl]methoxy]ethyl]amino]methyl]thiophene-2-carboxylate
Type:
Small organic molecule
Emp. Form.:
C37H39Cl2N3O7S
Mol. Mass.:
740.692
SMILES:
COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC[C@@H]2CN3CCC2CC3)c2ccccc2)s1 |wU:10.22,wD:35.36,TLB:34:35:38.39:41.42,(11.59,-20.75,;10.51,-19.65,;10.92,-18.17,;12.41,-17.78,;12.83,-16.3,;11.75,-15.2,;10.25,-15.58,;9.84,-17.07,;8.35,-17.46,;7.27,-16.36,;12.16,-13.71,;13.65,-13.33,;14.73,-14.42,;16.22,-14.04,;16.63,-12.55,;17.3,-15.14,;16.89,-16.62,;17.97,-17.72,;15.4,-17.01,;14.32,-15.91,;13.34,-17.1,;11.08,-12.62,;11.49,-11.13,;12.98,-10.75,;10.41,-10.03,;8.88,-10.26,;8.19,-8.89,;9.29,-7.81,;9.06,-6.28,;7.63,-5.72,;7.4,-4.2,;5.97,-3.63,;4.76,-4.59,;5.74,-2.11,;4.31,-1.55,;3.1,-2.51,;3.39,-3.93,;1.99,-3.28,;2.25,-1.34,;1.79,-.21,;1.72,-1.89,;.22,-2.54,;.42,-3.95,;8.61,-3.24,;8.38,-1.71,;9.58,-.75,;11.01,-1.32,;11.24,-2.84,;10.04,-3.8,;10.66,-8.52,)|
Structure:
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