Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50296337
Substrate
n/a
Meas. Tech.
ChEMBL_581962 (CHEMBL1058942)
IC50
1.62±n/a nM
Citation
 Prat, MFernández, DBuil, MACrespo, MICasals, GFerrer, MTort, LCastro, JMonleón, JMGavaldà, AMiralpeix, MRamos, IDoménech, TVilella, DAntón, FHuerta, JMEspinosa, SLópez, MSentellas, SGonzález, MAlbertí, JSegarra, VCárdenas, ABeleta, JRyder, H Discovery of novel quaternary ammonium derivatives of (3R)-quinuclidinol esters as potent and long-acting muscarinic antagonists with potential for minimal systemic exposure after inhaled administration: identification of (3R)-3-{[hydroxy(di-2-thienyl)acetyl]oxy}-1-(3-phenoxypropyl)-1-azoniabicyclo J Med Chem 52:5076-92 (2010) [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:
BDBM50296337
Synonyms:
(3R)-3-{[(2R)-2-Cyclopentyl-2-hydroxy-2-(2-thienyl)acetyl]-oxy}-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane bromide | CHEMBL549986
Type:
Small organic molecule
Emp. Form.:
C27H36NO4S
Mol. Mass.:
470.643
SMILES:
O[C@](C1CCCC1)(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)c1cccs1 |r,wU:1.0,wD:10.10,1.31,(-5.17,-27.18,;-6.25,-28.27,;-7.58,-29.04,;-8.99,-28.42,;-10.02,-29.57,;-9.24,-30.9,;-7.74,-30.58,;-4.92,-29.03,;-4.91,-30.57,;-3.58,-28.26,;-2.25,-29.03,;-2.25,-30.57,;-.92,-31.33,;-.93,-32.87,;.39,-33.65,;1.73,-32.89,;3.06,-33.68,;4.4,-32.92,;5.72,-33.7,;7.06,-32.95,;7.08,-31.41,;5.74,-30.62,;4.41,-31.39,;.41,-30.57,;.41,-29.03,;-.92,-28.25,;-.5,-29.49,;-1.55,-29.84,;-6.26,-26.73,;-7.51,-25.83,;-7.04,-24.36,;-5.5,-24.36,;-5.02,-25.82,)|
Structure:
Search PDB for entries with ligand similarity: