Target
Muscarinic acetylcholine receptor M1
Ligand
BDBM50296329
Substrate
n/a
Meas. Tech.
ChEMBL_581960 (CHEMBL1058940)
IC50
0.14±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:
BDBM50296329
Synonyms:
(3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(2-phenylethyl)-1-azoniabicyclo[2.2.2]octane bromide | CHEMBL564057 | US9333195, 36 | US9687478, 36
Type:
Small organic molecule
Emp. Form.:
C25H28NO3S2
Mol. Mass.:
454.624
SMILES:
OC(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(12.26,-17.08,;11.17,-18.17,;12.51,-18.94,;12.51,-20.48,;13.84,-18.17,;15.17,-18.93,;15.17,-20.47,;16.5,-21.23,;16.49,-22.77,;17.82,-23.56,;19.16,-22.8,;20.48,-23.59,;21.82,-22.83,;21.84,-21.29,;20.5,-20.51,;19.17,-21.27,;17.83,-20.47,;17.83,-18.93,;16.5,-18.15,;16.92,-19.4,;15.87,-19.75,;11.17,-16.63,;9.92,-15.73,;10.39,-14.26,;11.93,-14.26,;12.41,-15.72,;9.84,-18.95,;8.42,-18.32,;7.4,-19.47,;8.17,-20.8,;9.68,-20.48,)|
Structure:
Search PDB for entries with ligand similarity: