Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50419498
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:
BDBM50419498
Synonyms:
CHEMBL1921918
Type:
Small organic molecule
Emp. Form.:
C27H38N3O2S
Mol. Mass.:
468.674
SMILES:
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCCc3ccncc3)CCC1CC2)c1cccs1 |r,wU:1.0,wD:1.8,11.11,(24.92,-9.35,;24.93,-7.81,;24.92,-6.26,;26.26,-5.49,;26.26,-3.95,;24.93,-3.18,;23.58,-3.95,;23.58,-5.51,;26.27,-8.58,;26.28,-10.13,;27.61,-7.8,;28.95,-8.58,;28.95,-10.12,;30.29,-10.88,;30.34,-12.42,;31.69,-13.15,;33,-12.34,;34.36,-13.07,;34.4,-14.61,;35.75,-15.34,;37.06,-14.53,;37.01,-12.99,;35.66,-12.26,;31.63,-10.12,;31.63,-8.58,;30.29,-7.79,;29.51,-9.12,;30.99,-9.52,;23.67,-8.69,;22.22,-8.19,;21.29,-9.42,;22.17,-10.68,;23.64,-10.24,)|
Structure:
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