Target
Muscarinic acetylcholine receptor M1
Ligand
BDBM50296330
Substrate
n/a
Meas. Tech.
ChEMBL_581960 (CHEMBL1058940)
IC50
0.29±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 M1
Synonyms:
ACM1_HUMAN | CHRM1 | Cholinergic receptor, muscarinic 1 | Cholinergic, muscarinic M1
Type:
Protein
Mol. Mass.:
51442.54
Organism:
Homo sapiens (Human)
Description:
P11229
Residue:
460
Sequence:
MNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPETPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDPEAQAPTKQPPRSSPNTVKRPTKKGRDRAGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTINPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
  
Inhibitor
Name:
BDBM50296330
Synonyms:
(3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(4-phenylbutyl)-1-azoniabicyclo[2.2.2]octane bromide | CHEMBL554725 | US9333195, 39 | US9687478, 39
Type:
Small organic molecule
Emp. Form.:
C27H32NO3S2
Mol. Mass.:
482.677
SMILES:
OC(C(=O)O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(30.44,-17.2,;29.36,-18.29,;30.69,-19.06,;30.7,-20.6,;32.02,-18.28,;33.36,-19.05,;33.36,-20.59,;34.69,-21.35,;34.67,-22.89,;36,-23.67,;37.34,-22.92,;38.67,-23.7,;40.01,-22.94,;41.33,-23.73,;42.67,-22.97,;42.69,-21.43,;41.35,-20.65,;40.02,-21.41,;36.02,-20.59,;36.02,-19.05,;34.69,-18.27,;35.11,-19.51,;34.06,-19.86,;29.35,-16.75,;28.1,-15.84,;28.57,-14.38,;30.11,-14.37,;30.59,-15.84,;28.02,-19.06,;26.61,-18.44,;25.58,-19.59,;26.36,-20.92,;27.86,-20.59,)|
Structure:
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