Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M1
Ligand
BDBM50066867
Substrate
n/a
Meas. Tech.
ChEMBL_1465996 (CHEMBL3406978)
IC50
35±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:
BDBM50066867
Synonyms:
CHEMBL3401642
Type:
Small organic molecule
Emp. Form.:
C17H20N2OS2
Mol. Mass.:
332.483
SMILES:
O=C(N[C@H]1CN2CCC1CC2)C(c1cccs1)c1cccs1 |r,wD:3.2,(-.26,-3.62,;-.25,-2.38,;1.1,-1.63,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,;-1.57,-1.6,;-2.91,-2.36,;-3.07,-3.88,;-4.58,-4.19,;-5.34,-2.85,;-4.3,-1.71,;-1.56,-.06,;-2.79,.84,;-2.3,2.29,;-.76,2.28,;-.3,.81,)|
Structure:
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