Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50419526
Substrate
n/a
Meas. Tech.
ChEMBL_789189 (CHEMBL1924273)
IC50
0.794±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:
BDBM50419526
Synonyms:
CHEMBL1921938
Type:
Small organic molecule
Emp. Form.:
C30H41N2O3
Mol. Mass.:
477.6576
SMILES:
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCOCc3ccccc3)CCC1CC2)c1ccccc1 |r,wU:1.0,wD:1.8,11.11,(34.33,-23.01,;34.34,-21.47,;34.33,-19.92,;35.67,-19.15,;35.67,-17.61,;34.33,-16.84,;32.99,-17.61,;32.99,-19.16,;35.68,-22.24,;35.68,-23.79,;37.02,-21.46,;38.36,-22.23,;38.36,-23.78,;39.69,-24.54,;39.74,-26.08,;41.09,-26.81,;42.4,-26,;43.76,-26.73,;45.07,-25.92,;46.42,-26.66,;47.73,-25.85,;47.68,-24.31,;46.32,-23.58,;45.01,-24.39,;41.03,-23.78,;41.03,-22.23,;39.69,-21.45,;38.91,-22.78,;40.39,-23.17,;33,-22.24,;31.68,-21.47,;30.35,-22.23,;30.35,-23.77,;31.69,-24.54,;33.01,-23.77,)|
Structure:
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