Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM200753
Substrate
n/a
Meas. Tech.
Muscarinic Receptor Binding Assay
IC50
0.4±n/a nM
Citation
 Aiguade Bosch, J; Gual Roig, S; Prat Quinones, M; Puig Duran, C Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities US Patent  US9233108 Publication Date 1/12/2016 
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:
BDBM200753
Synonyms:
US9233108, 18 | US9757383, Example 18
Type:
Small organic molecule
Emp. Form.:
C38H48N6O7S
Mol. Mass.:
732.889
SMILES:
CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4NC(=O)COc34)ccc12)[C@H]1CC[C@@H](CC1)OC(=O)[C@@](O)(C1CCCC1)c1cccs1 |wU:40.45,34.41,wD:40.44,14.14,31.34,(6.31,-4.67,;7.82,-4.35,;8.3,-2.88,;7.26,-1.74,;7.74,-.27,;6.71,.87,;5.18,.71,;4.55,2.12,;5.7,3.15,;5.7,4.69,;7.03,5.46,;7.03,7,;5.7,7.77,;5.7,9.31,;4.36,10.08,;3.03,9.31,;4.36,11.62,;5.7,12.39,;5.7,13.93,;4.36,14.7,;4.36,16.24,;3.03,13.93,;1.7,14.7,;.36,13.93,;-.97,14.7,;.36,12.39,;1.7,11.62,;3.03,12.39,;8.36,4.69,;8.36,3.15,;7.03,2.38,;8.85,-5.49,;8.37,-6.95,;9.4,-8.1,;10.91,-7.78,;11.39,-6.31,;10.36,-5.17,;11.94,-8.92,;13.45,-8.6,;13.92,-7.14,;14.48,-9.75,;15.62,-8.72,;13.33,-10.78,;13.49,-12.31,;12.09,-12.94,;11.06,-11.79,;11.83,-10.46,;15.51,-10.89,;17.04,-10.73,;17.67,-12.14,;16.52,-13.17,;15.19,-12.4,)|
Structure:
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