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Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50419478
Substrate
n/a
Meas. Tech.
ChEMBL_789189 (CHEMBL1924273)
IC50
0.1±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:
BDBM50419478
Synonyms:
CHEMBL1921945
Type:
Small organic molecule
Emp. Form.:
C27H35FN3O3S
Mol. Mass.:
500.648
SMILES:
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CC(=O)Nc3cccc(F)c3)CCC1CC2)c1cccs1 |r,wU:1.0,wD:1.8,11.11,(43.88,2.13,;43.89,3.67,;43.89,5.22,;45.23,5.98,;45.23,7.53,;43.89,8.31,;42.55,7.53,;42.55,5.97,;45.24,2.9,;45.24,1.35,;46.57,3.68,;47.92,2.91,;47.92,1.36,;49.25,.6,;49.26,-.94,;50.6,-1.7,;50.61,-3.24,;51.93,-.92,;53.26,-1.68,;53.27,-3.22,;54.6,-3.98,;55.93,-3.2,;55.92,-1.65,;57.24,-.87,;54.58,-.9,;50.59,1.36,;50.59,2.91,;49.25,3.69,;48.47,2.36,;49.95,1.97,;42.65,2.76,;41.2,3.23,;40.3,1.99,;41.21,.75,;42.67,1.23,)|
Structure:
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