Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50419492
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:
BDBM50419492
Synonyms:
CHEMBL1921926
Type:
Small organic molecule
Emp. Form.:
C31H40N3O2S
Mol. Mass.:
518.733
SMILES:
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCCc3ccc4ncsc4c3)CCC1CC2)c1ccccc1 |r,wU:1.0,wD:1.8,11.11,(11.38,-45.15,;11.39,-43.61,;11.38,-42.06,;12.72,-41.3,;12.72,-39.76,;11.38,-38.98,;10.04,-39.76,;10.04,-41.31,;12.73,-44.38,;12.73,-45.93,;14.06,-43.6,;15.4,-44.37,;15.4,-45.92,;16.74,-46.68,;16.78,-48.21,;18.14,-48.94,;19.45,-48.14,;20.8,-48.86,;20.8,-50.4,;22.13,-51.17,;23.46,-50.41,;24.92,-50.89,;25.84,-49.65,;24.94,-48.4,;23.47,-48.87,;22.13,-48.09,;18.07,-45.92,;18.07,-44.37,;16.74,-43.59,;15.96,-44.92,;17.44,-45.31,;10.06,-44.38,;8.73,-43.62,;7.4,-44.39,;7.41,-45.93,;8.75,-46.69,;10.07,-45.92,)|
Structure:
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