Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50419494
Substrate
n/a
Meas. Tech.
ChEMBL_789189 (CHEMBL1924273)
IC50
0.316±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:
BDBM50419494
Synonyms:
CHEMBL1921924
Type:
Small organic molecule
Emp. Form.:
C31H40N3O3
Mol. Mass.:
502.6671
SMILES:
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCCc3nc4ccccc4o3)CCC1CC2)c1ccccc1 |r,wU:1.0,wD:1.8,11.11,(-1.16,-4.27,;-1.15,-2.72,;-1.16,-1.18,;.18,-.41,;.18,1.13,;-1.16,1.91,;-2.5,1.13,;-2.5,-.42,;.19,-3.5,;.2,-5.05,;1.53,-2.72,;2.88,-3.49,;2.88,-5.04,;4.21,-5.8,;4.26,-7.34,;5.61,-8.07,;6.92,-7.26,;8.28,-7.99,;9.52,-7.08,;10.77,-7.99,;12.26,-7.67,;13.28,-8.81,;12.81,-10.27,;11.31,-10.58,;10.29,-9.44,;8.75,-9.45,;5.55,-5.04,;5.55,-3.49,;4.21,-2.7,;3.43,-4.03,;4.91,-4.43,;-2.48,-3.5,;-3.81,-2.73,;-5.14,-3.51,;-5.13,-5.05,;-3.79,-5.81,;-2.46,-5.03,)|
Structure:
Search PDB for entries with ligand similarity: