Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM354688
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
IC50
5.5±n/a nM
Citation
 Armani, E; Amari, G; Blackaby, W; Van De Poel, H; Baker-Glenn, C; Trivedi, N Aminoester derivatives US Patent  US9809582 Publication Date 11/7/2017 
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:
BDBM354688
Synonyms:
US9809582, Example 33 | US9809582, Example 36 | US9809582, Example 37
Type:
Small organic molecule
Emp. Form.:
C39H41Cl2N3O7S
Mol. Mass.:
766.73
SMILES:
COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2CC(C2)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:37.39,(-7.16,-9.05,;-5.82,-9.82,;-4.49,-9.05,;-3.16,-9.82,;-1.82,-9.05,;-1.82,-7.51,;-3.16,-6.74,;-4.49,-7.51,;-5.82,-6.74,;-7.16,-7.51,;-.49,-6.74,;.85,-7.51,;2.18,-6.74,;2.18,-5.2,;.85,-4.43,;3.51,-4.43,;4.85,-5.2,;6.18,-4.43,;4.85,-6.74,;3.51,-7.51,;3.51,-9.05,;-.49,-5.2,;-1.82,-4.43,;-3.16,-5.2,;-1.82,-2.89,;-3.07,-1.99,;-2.59,-.52,;-1.05,-.52,;-.28,.81,;-1.05,2.14,;-.28,3.48,;1.21,3.87,;.81,5.36,;-.68,4.96,;2.3,4.96,;3.38,6.05,;2.69,3.48,;4.18,3.08,;4.58,1.59,;6.07,1.19,;7.16,2.28,;6.76,3.77,;5.27,4.17,;6.36,3.08,;4.98,2.28,;.41,6.85,;1.5,7.94,;1.1,9.43,;-.39,9.82,;-1.48,8.74,;-1.08,7.25,;-.58,-1.99,)|
Structure:
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