Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M1
Ligand
BDBM50453786
Substrate
n/a
Meas. Tech.
ChEMBL_138811 (CHEMBL747492)
IC50
2.5±n/a nM
Citation
 Ward, JS; Merritt, L; Calligaro, DO; Bymaster, FP; Shannon, HE; Sawyer, BD; Mitch, CH; Deeter, JB; Peters, SC; Sheardown, MJ Functionally selective M1 muscarinic agonists. 3. Side chains and azacycles contributing to functional muscarinic selectivity among pyrazinylazacycles. J Med Chem 38:3469-81 (1995) [PubMed]  Article 
Target
Name:
Muscarinic acetylcholine receptor M1
Synonyms:
ACM1_RAT | Cholinergic, muscarinic M1 | Chrm-1 | Chrm1 | cholinergic receptor, muscarinic 1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
51390.46
Organism:
RAT
Description:
P08482
Residue:
460
Sequence:
MNTSVPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPESPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDSEAQAPTKQPPKSSPNTVKRPTKKGRDRGGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTVNPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
  
Inhibitor
Name:
BDBM50453786
Synonyms:
CHEMBL2092949
Type:
Small organic molecule
Emp. Form.:
C17H27N3O
Mol. Mass.:
289.4158
SMILES:
CCCCCCOc1nccnc1[C@@H]1CN2CCC1CC2 |r,wD:13.13,(4.09,3.27,;5.44,2.49,;5.44,.95,;6.77,.18,;6.77,-1.36,;8.1,-2.13,;8.1,-3.67,;9.43,-4.44,;10.76,-3.69,;12.09,-4.46,;12.09,-6,;10.76,-6.75,;9.43,-5.98,;8.1,-6.75,;8.1,-8.29,;6.77,-9.05,;7.31,-7.51,;6.03,-7.4,;6.77,-5.97,;5.44,-6.75,;5.44,-8.29,)|
Structure:
Search PDB for entries with ligand similarity: