Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM221903
Substrate
n/a
Meas. Tech.
Muscarinic Receptor Binding Assay
IC50
2.1±n/a nM
Citation
 Prat Quinones, M; Fonquerna Pou, S; Puig Duran, C; Lumeras Amador, W; Aiguade Bosch, J; Caturla Jovaloyes, JF Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities US Patent  US9315463 Publication Date 4/19/2016 
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:
BDBM221903
Synonyms:
US9315463, 13
Type:
Small organic molecule
Emp. Form.:
C40H45ClN4O8S2
Mol. Mass.:
809.39
SMILES:
COc1cc(NC(=O)CCN(C)[C@H]2CC[C@@](C)(CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:41.45,15.19,wD:12.11,15.15,(-4.73,-1.54,;-3.39,-.77,;-3.39,.77,;-2.06,1.54,;-2.06,3.08,;-.73,3.85,;.61,3.08,;.61,1.54,;1.94,3.85,;3.27,3.08,;4.61,3.85,;4.61,5.39,;5.94,3.08,;5.94,1.54,;7.28,.77,;8.61,1.54,;9.94,2.31,;8.61,3.08,;7.28,3.85,;9.94,.77,;11.28,1.54,;11.28,3.08,;12.61,.77,;13.94,,;13.38,2.1,;12.9,3.57,;14.15,4.47,;15.4,3.57,;14.92,2.1,;11.84,-.56,;10.38,-1.04,;10.38,-2.58,;11.84,-3.06,;12.75,-1.81,;-3.39,3.85,;-3.39,5.39,;-4.73,3.08,;-4.73,1.54,;-6.06,.77,;-7.39,1.54,;-8.73,.77,;-10.06,1.54,;-10.06,3.08,;-11.4,.77,;-12.73,1.54,;-14.06,.77,;-14.06,-.77,;-15.4,-1.54,;-12.73,-1.54,;-12.73,-3.08,;-11.4,-3.85,;-11.4,-5.39,;-10.06,-3.08,;-10.06,-1.54,;-11.4,-.77,)|
Structure:
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