Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50419469
Substrate
n/a
Meas. Tech.
ChEMBL_789189 (CHEMBL1924273)
IC50
0.398±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:
BDBM50419469
Synonyms:
CHEMBL1922057
Type:
Small organic molecule
Emp. Form.:
C29H36N3O3S
Mol. Mass.:
506.679
SMILES:
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(Cc3cc(no3)-c3ccccc3)CCC1CC2)c1cccs1 |r,wU:1.0,wD:11.11,1.8,(9.92,-45.47,;9.93,-43.93,;9.93,-42.38,;11.27,-41.61,;11.27,-40.08,;9.93,-39.3,;8.59,-40.07,;8.59,-41.63,;11.27,-44.7,;11.28,-46.25,;12.61,-43.92,;13.96,-44.69,;13.96,-46.24,;15.29,-47,;15.3,-48.54,;16.64,-49.3,;18.1,-48.82,;19.01,-50.06,;18.11,-51.3,;16.65,-50.84,;20.55,-50.06,;21.32,-51.39,;22.86,-51.39,;23.62,-50.05,;22.85,-48.72,;21.31,-48.73,;16.63,-46.24,;16.63,-44.69,;15.29,-43.91,;14.51,-45.24,;15.99,-45.63,;8.6,-44.7,;7.15,-44.21,;6.23,-45.44,;7.12,-46.7,;8.59,-46.24,)|
Structure:
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