Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M1
Ligand
BDBM50066856
Substrate
n/a
Meas. Tech.
ChEMBL_1465996 (CHEMBL3406978)
IC50
54±n/a nM
Citation
 Prat, M; Buil, MA; Fernández, MD; Tort, L; Monleón, JM; Casals, G; Ferrer, M; Castro, J; Gavaldà, A; Miralpeix, M; Ramos, I; Vilella, D; Huerta, JM; Espinosa, S; Hernández, B; Segarra, V; Córdoba, M Discovery of novel quaternary ammonium derivatives of (3R)-quinuclidinyl amides as potent and long acting muscarinic antagonists. Bioorg Med Chem Lett 25:1736-41 (2015) [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:
BDBM50066856
Synonyms:
CHEMBL3401652
Type:
Small organic molecule
Emp. Form.:
C26H31BrN2O2S2
Mol. Mass.:
547.571
SMILES:
[Br-].O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1 |r,wD:4.2,(14.66,-2.25,;2.83,-2.46,;1.6,-2.46,;.83,-1.12,;1.61,.22,;3.27,.22,;4.09,1.64,;5.54,1.18,;5.88,-.32,;7.35,-.78,;7.69,-2.28,;9.16,-2.74,;9.49,-4.25,;10.97,-4.7,;12.1,-3.66,;11.76,-2.16,;10.29,-1.7,;3.27,3.05,;1.61,3.05,;.82,1.64,;1.81,2.48,;3.07,2.48,;.82,-3.79,;1.58,-5.13,;3.1,-5.27,;3.42,-6.78,;2.08,-7.55,;.94,-6.51,;-.72,-3.78,;-1.61,-5.02,;-3.07,-4.53,;-3.06,-2.99,;-1.6,-2.53,)|
Structure:
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