Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50419501
Substrate
n/a
Meas. Tech.
ChEMBL_789189 (CHEMBL1924273)
IC50
0.158±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:
BDBM50419501
Synonyms:
CHEMBL1921911
Type:
Small organic molecule
Emp. Form.:
C31H43N2O3
Mol. Mass.:
491.6842
SMILES:
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCC3=CC4CCOC4C=C3)CCC1CC2)c1ccccc1 |r,wU:1.0,wD:1.8,11.11,c:25,t:17,(45.85,-43.25,;45.86,-41.71,;45.85,-40.16,;47.19,-39.39,;47.19,-37.85,;45.85,-37.08,;44.51,-37.85,;44.51,-39.4,;47.2,-42.48,;47.2,-44.03,;48.54,-41.7,;49.88,-42.47,;49.88,-44.02,;51.22,-44.78,;51.26,-46.32,;52.62,-47.05,;53.95,-46.28,;55.28,-47.05,;56.61,-46.28,;58.07,-46.75,;58.98,-45.51,;58.07,-44.27,;56.61,-44.74,;55.28,-43.97,;53.95,-44.74,;52.55,-44.02,;52.55,-42.47,;51.22,-41.69,;50.43,-43.02,;51.92,-43.41,;44.52,-42.46,;43.19,-41.68,;41.85,-42.44,;41.84,-43.98,;43.18,-44.76,;44.51,-44,)|
Structure:
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