Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50419480
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:
BDBM50419480
Synonyms:
CHEMBL1921943
Type:
Small organic molecule
Emp. Form.:
C27H36N3O3S
Mol. Mass.:
482.657
SMILES:
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CC(=O)Nc3ccccc3)CCC1CC2)c1cccs1 |r,wU:1.0,wD:1.8,11.11,(10.86,1.34,;10.87,2.89,;10.87,4.43,;12.2,5.2,;12.2,6.74,;10.87,7.53,;9.53,6.74,;9.52,5.19,;12.21,2.11,;12.22,.57,;13.55,2.89,;14.89,2.12,;14.89,.57,;16.23,-.18,;16.24,-1.72,;17.57,-2.48,;17.58,-4.02,;18.9,-1.71,;20.24,-2.47,;20.24,-4,;21.58,-4.76,;22.9,-3.98,;22.89,-2.44,;21.55,-1.69,;17.56,.57,;17.56,2.12,;16.23,2.91,;15.44,1.58,;16.93,1.18,;9.63,1.98,;8.17,2.45,;7.27,1.2,;8.18,-.04,;9.64,.44,)|
Structure:
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