Target
Muscarinic acetylcholine receptor M1
Ligand
BDBM50296319
Substrate
n/a
Meas. Tech.
ChEMBL_581960 (CHEMBL1058940)
IC50
0.2±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:
BDBM50296319
Synonyms:
(3R)-1-Azabicyclo[2.2.2]oct-3-yl(2S)-hydroxy(phenyl)2-thienylacetate | CHEMBL564747
Type:
Small organic molecule
Emp. Form.:
C19H21NO3S
Mol. Mass.:
343.44
SMILES:
O[C@@](C(=O)O[C@H]1CN2CCC1CC2)(c1cccs1)c1ccccc1 |r,wU:1.14,wD:1.0,5.4,(22.11,-13.32,;21.03,-14.42,;22.36,-15.18,;22.37,-16.72,;23.69,-14.41,;25.03,-15.17,;25.03,-16.71,;26.36,-17.48,;27.69,-16.71,;27.69,-15.17,;26.36,-14.4,;26.78,-15.64,;25.73,-15.99,;21.02,-12.88,;22.26,-11.97,;21.78,-10.5,;20.24,-10.51,;19.77,-11.97,;19.69,-15.19,;18.36,-14.42,;17.03,-15.19,;17.03,-16.73,;18.38,-17.5,;19.7,-16.72,)|
Structure:
Search PDB for entries with ligand similarity: