Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M1
Ligand
BDBM50273300
Substrate
n/a
Meas. Tech.
ChEMBL_1712855 (CHEMBL4122904)
EC50
2138±n/a nM
Citation
 Bertron, JL; Cho, HP; Garcia-Barrantes, PM; Panarese, JD; Salovich, JM; Nance, KD; Engers, DW; Rook, JM; Blobaum, AL; Niswender, CM; Stauffer, SR; Conn, PJ; Lindsley, CW The discovery of VU0486846: steep SAR from a series of M Bioorg Med Chem Lett 28:2175-2179 (2018) [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:
BDBM50273300
Synonyms:
CHEMBL4130246
Type:
Small organic molecule
Emp. Form.:
C22H21F3N4O3
Mol. Mass.:
446.4223
SMILES:
OC(CNC(=O)C1CN(Cc2ccc(cc2)-n2cccn2)c2ccccc2O1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: