Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50419535
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:
BDBM50419535
Synonyms:
CHEMBL1922053
Type:
Small organic molecule
Emp. Form.:
C25H33ClN5O3S
Mol. Mass.:
519.079
SMILES:
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CC(=O)Nc3cncc(Cl)n3)CCC1CC2)c1cccs1 |r,wU:1.0,wD:1.8,11.11,(-7.42,-34.35,;-7.41,-32.8,;-7.41,-31.26,;-6.07,-30.49,;-6.07,-28.95,;-7.41,-28.18,;-8.75,-28.95,;-8.75,-30.5,;-6.06,-33.58,;-6.06,-35.12,;-4.73,-32.8,;-3.39,-33.57,;-3.39,-35.11,;-2.05,-35.87,;-2.04,-37.41,;-.7,-38.17,;-.69,-39.71,;.62,-37.39,;1.96,-38.15,;3.27,-37.37,;4.61,-38.12,;4.63,-39.67,;3.3,-40.45,;3.31,-41.99,;1.96,-39.69,;-.72,-35.11,;-.72,-33.57,;-2.05,-32.78,;-2.83,-34.11,;-1.35,-34.51,;-8.74,-33.57,;-10.19,-33.09,;-11.11,-34.32,;-10.22,-35.57,;-8.75,-35.12,)|
Structure:
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