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Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50296317
Substrate
n/a
Meas. Tech.
ChEMBL_581962 (CHEMBL1058942)
IC50
0.23±n/a nM
Citation
Prat, M; Fernández, D; Buil, MA; Crespo, MI; Casals, G; Ferrer, M; Tort, L; Castro, J; Monleón, JM; Gavaldà, A; Miralpeix, M; Ramos, I; Doménech, T; Vilella, D; Antón, F; Huerta, JM; Espinosa, S; López, M; Sentellas, S; González, M; Albertí, J; Segarra, V; Cárdenas, A; Beleta, J; Ryder, H Discovery of novel quaternary ammonium derivatives of (3R)-quinuclidinol esters as potent and long-acting muscarinic antagonists with potential for minimal systemic exposure after inhaled administration: identification of (3R)-3-{[hydroxy(di-2-thienyl)acetyl]oxy}-1-(3-phenoxypropyl)-1-azoniabicyclo J Med Chem 52:5076-92 (2010) [PubMed] Article
More Info.:
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:
Human
Description:
P20309
Residue:
590
Sequence:
MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPLGGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSMKRSNRRKYGRCHFWFTTKSWKPSSEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPEEELGMVDLERKADKLQAQKSVDDGGSFPKSFSKLPIQLESAVDTAKTSDVNSSVGKSTATLPLSFKEATLAKRFALKTRSQITKRKRMSLVKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTFWNLGYWLCYINSTVNPVCYALCNKTFRTTFKMLLLCQCDKKKRRKQQYQQRQSVIFHKRAPEQAL
Inhibitor
Name:
BDBM50296317
Synonyms:
(3R)-1-Azabicyclo[2.2.2]oct-3-ylhydroxy(di-2-thienyl)acetate | CHEMBL551729
Type:
Small organic molecule
Emp. Form.:
C17H19NO3S2
Mol. Mass.:
349.468
SMILES:
OC(C(=O)O[C@H]1CN2CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(-5.41,-13.09,;-6.49,-14.18,;-5.16,-14.95,;-5.15,-16.49,;-3.82,-14.18,;-2.49,-14.94,;-2.49,-16.48,;-1.16,-17.24,;.17,-16.48,;.17,-14.94,;-1.16,-14.16,;-.74,-15.41,;-1.79,-15.76,;-6.5,-12.64,;-7.75,-11.74,;-7.27,-10.27,;-5.73,-10.27,;-5.25,-11.73,;-7.82,-14.96,;-9.24,-14.33,;-10.27,-15.48,;-9.49,-16.81,;-7.99,-16.49,)|