Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50419471
Substrate
n/a
Meas. Tech.
ChEMBL_789189 (CHEMBL1924273)
IC50
0.2±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:
BDBM50419471
Synonyms:
CHEMBL1922055
Type:
Small organic molecule
Emp. Form.:
C31H38N3O3
Mol. Mass.:
500.6512
SMILES:
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(Cc3cc(on3)-c3ccccc3)CCC1CC2)c1ccccc1 |r,wU:1.0,wD:1.8,11.11,(23.03,-34.84,;23.05,-33.3,;23.04,-31.76,;24.38,-30.99,;24.38,-29.45,;23.04,-28.67,;21.7,-29.45,;21.7,-31,;24.39,-34.07,;24.39,-35.62,;25.72,-33.29,;27.07,-34.07,;27.07,-35.61,;28.4,-36.37,;28.41,-37.91,;29.75,-38.67,;31.22,-38.19,;32.12,-39.43,;31.22,-40.67,;29.76,-40.21,;33.66,-39.43,;34.43,-40.76,;35.97,-40.76,;36.73,-39.43,;35.95,-38.09,;34.42,-38.1,;29.74,-35.61,;29.74,-34.07,;28.4,-33.28,;27.62,-34.61,;29.1,-35.01,;21.71,-34.07,;20.38,-33.3,;19.05,-34.07,;19.05,-35.6,;20.39,-36.37,;21.72,-35.6,)|
Structure:
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