Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M1
Ligand
BDBM50344301
Substrate
n/a
Meas. Tech.
ChEMBL_748302 (CHEMBL1781312)
IC50
1.1±n/a nM
Citation
 Prat, M; Buil, MA; Fernández, MD; Castro, J; Monleón, JM; Tort, L; Casals, G; Ferrer, M; Huerta, JM; Espinosa, S; López, M; Segarra, V; Gavaldà, A; Miralpeix, M; Ramos, I; Vilella, D; González, M; Córdoba, M; Cárdenas, A; Antón, F; Beleta, J; Ryder, H Discovery of novel quaternary ammonium derivatives of (3R)-quinuclidinyl carbamates as potent and long acting muscarinic antagonists. Bioorg Med Chem Lett 21:3457-61 (2011) [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:
BDBM50344301
Synonyms:
(R)-3-((3-fluorophenyl)(3,4,5-trifluorobenzyl)carbamoyloxy)-1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octane bromide | CHEMBL1779140
Type:
Small organic molecule
Emp. Form.:
C29H29F4N2O3
Mol. Mass.:
529.5452
SMILES:
Fc1cccc(c1)N(Cc1cc(F)c(F)c(F)c1)C(=O)O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2 |r,wD:21.22,(-3.92,-9.63,;-3.92,-11.17,;-5.25,-11.94,;-5.25,-13.49,;-3.91,-14.25,;-2.59,-13.48,;-2.58,-11.94,;-1.26,-14.25,;-1.26,-15.79,;-2.59,-16.56,;-3.92,-15.78,;-5.26,-16.55,;-6.59,-15.78,;-5.26,-18.09,;-6.59,-18.86,;-3.91,-18.86,;-3.91,-20.4,;-2.59,-18.09,;.07,-13.48,;.07,-11.94,;1.41,-14.25,;2.74,-13.48,;4.07,-14.26,;5.4,-13.49,;6.73,-14.26,;8.06,-13.49,;9.4,-14.25,;10.73,-13.48,;12.06,-14.26,;13.39,-13.49,;13.39,-11.95,;12.04,-11.18,;10.72,-11.95,;5.41,-11.95,;4.08,-11.18,;2.74,-11.94,;3.49,-13.27,;4.62,-12.15,)|
Structure:
Search PDB for entries with ligand similarity: