Reaction Details  Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM339892
Substrate
n/a
Meas. Tech.
Receptors Binding Assay
IC50
0.600±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  US9757383 Publication Date 9/12/2017
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:
BDBM339892
Synonyms:
US9757383, Example 17 | trans-4-[{3-[5-({[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl]amino}methyl)-1H-1,2,3-benzotriazol-1-yl]propyl}(methyl)amino]cyclohexyl (2S-cyclopentyl(hydroxy)-2-thienylacetate
Type:
Small organic molecule
Emp. Form.:
C39H47N6O6S
Mol. Mass.:
727.893
SMILES:
CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc12)[C@H]1CC[C@@H](CC1)c1ccsc1[C@](O)(C1CCCC1)C([O-])=O |wU:34.41,42.47,wD:14.14,31.34,42.48,(-.72,16.28,;.79,15.96,;1.26,14.5,;.23,13.36,;.71,11.89,;-.32,10.75,;-1.85,10.91,;-2.48,9.5,;-1.33,8.47,;-1.33,6.93,;,6.16,;,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;6.67,-.77,;5.33,,;4,-.77,;1.33,6.93,;1.33,8.47,;,9.24,;1.82,17.11,;3.33,16.79,;4.36,17.93,;3.88,19.4,;2.37,19.72,;1.34,18.57,;4.91,20.54,;6.44,20.38,;7.07,21.79,;5.92,22.82,;4.59,22.05,;3.18,22.67,;2.56,21.27,;3.81,24.08,;3.04,25.42,;4.07,26.56,;5.48,25.93,;5.32,24.4,;1.78,23.3,;1.62,24.83,;.53,22.4,)|
Structure:
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