Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50419470
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:
BDBM50419470
Synonyms:
CHEMBL1922056
Type:
Small organic molecule
Emp. Form.:
C30H37N4O3
Mol. Mass.:
501.6392
SMILES:
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(Cc3nc(no3)-c3ccccc3)CCC1CC2)c1ccccc1 |r,wU:1.0,wD:1.8,11.11,(-5.9,-46.24,;-5.89,-44.7,;-5.9,-43.15,;-4.56,-42.38,;-4.56,-40.85,;-5.9,-40.07,;-7.24,-40.84,;-7.24,-42.4,;-4.55,-45.47,;-4.55,-47.02,;-3.21,-44.69,;-1.87,-45.46,;-1.87,-47.01,;-.54,-47.77,;-.53,-49.31,;.81,-50.07,;2.28,-49.59,;3.18,-50.83,;2.28,-52.07,;.82,-51.6,;4.72,-50.82,;5.49,-52.16,;7.03,-52.16,;7.8,-50.82,;7.02,-49.49,;5.48,-49.5,;.8,-47.01,;.8,-45.46,;-.54,-44.68,;-1.32,-46.01,;.16,-46.4,;-7.23,-45.47,;-8.55,-44.69,;-9.88,-45.46,;-9.89,-47,;-8.54,-47.77,;-7.22,-47,)|
Structure:
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