Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50419531
Substrate
n/a
Meas. Tech.
ChEMBL_789189 (CHEMBL1924273)
IC50
0.0501±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:
BDBM50419531
Synonyms:
CHEMBL1921908
Type:
Small organic molecule
Emp. Form.:
C27H36ClN2O2S
Mol. Mass.:
488.104
SMILES:
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCc3ccc(Cl)s3)CCC1CC2)c1ccccc1 |r,wU:1.0,wD:1.8,11.11,(43.85,-32.51,;43.86,-30.96,;43.86,-29.42,;45.2,-28.65,;45.19,-27.11,;43.86,-26.33,;42.52,-27.11,;42.51,-28.66,;45.2,-31.74,;45.21,-33.28,;46.54,-30.96,;47.88,-31.73,;47.88,-33.28,;49.22,-34.03,;49.26,-35.57,;50.62,-36.3,;51.89,-35.43,;51.93,-33.89,;53.4,-33.45,;54.27,-34.72,;55.81,-34.76,;53.34,-35.94,;50.56,-33.28,;50.56,-31.73,;49.22,-30.94,;48.44,-32.27,;49.92,-32.67,;42.52,-31.72,;41.2,-30.94,;39.86,-31.69,;39.85,-33.23,;41.18,-34.01,;42.52,-33.25,)|
Structure:
Search PDB for entries with ligand similarity: