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Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50419496
Substrate
n/a
Meas. Tech.
ChEMBL_789189 (CHEMBL1924273)
IC50
0.316±n/a nM
Citation
 Mete, A; Bowers, K; Chevalier, E; Donald, DK; Edwards, H; Escott, KJ; Ford, R; Grime, K; Millichip, I; Teobald, B; Russell, V The discovery of AZD9164, a novel muscarinic M3 antagonist. Bioorg Med Chem Lett 21:7440-6 (2011) [PubMed]  Article 
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:
BDBM50419496
Synonyms:
CHEMBL1921921
Type:
Small organic molecule
Emp. Form.:
C29H40N3O2
Mol. Mass.:
462.6463
SMILES:
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCCc3cccnc3)CCC1CC2)c1ccccc1 |r,wU:1.0,wD:1.8,11.11,(27.34,-20.68,;27.35,-19.14,;27.34,-17.6,;28.68,-16.83,;28.68,-15.29,;27.34,-14.51,;26,-15.29,;26,-16.84,;28.69,-19.91,;28.69,-21.46,;30.03,-19.13,;31.37,-19.91,;31.37,-21.45,;32.7,-22.21,;32.75,-23.75,;34.1,-24.48,;35.41,-23.67,;36.77,-24.4,;38.07,-23.59,;39.42,-24.31,;39.47,-25.86,;38.16,-26.67,;36.81,-25.94,;34.04,-21.45,;34.04,-19.91,;32.7,-19.12,;31.92,-20.45,;33.4,-20.85,;26.02,-19.92,;24.69,-19.15,;23.36,-19.93,;23.37,-21.47,;24.71,-22.23,;26.03,-21.45,)|
Structure:
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