Reaction Details Report a problem with these data
Target
Acetylcholine receptor subunit epsilon
Ligand
BDBM50516962
Substrate
n/a
Meas. Tech.
ChEMBL_1867225 (CHEMBL4368200)
IC50
>350000000±n/a nM
Citation
 Xu, M; Peng, Y; Zhu, L; Wang, S; Ji, J; Rakesh, KP Triazole derivatives as inhibitors of Alzheimer's disease: Current developments and structure-activity relationships. Eur J Med Chem 180:656-672 (2019) [PubMed]  Article 
Target
Name:
Acetylcholine receptor subunit epsilon
Synonyms:
ACHE_HUMAN | ACHRE | Acetylcholine receptor protein epsilon chain | CHRNE | Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon
Type:
PROTEIN
Mol. Mass.:
54686.87
Organism:
Homo sapiens (Human)
Description:
ChEMBL_431077
Residue:
493
Sequence:
MARAPLGVLLLLGLLGRGVGKNEELRLYHHLFNNYDPGSRPVREPEDTVTISLKVTLTNLISLNEKEETLTTSVWIGIDWQDYRLNYSKDDFGGIETLRVPSELVWLPEIVLENNIDGQFGVAYDANVLVYEGGSVTWLPPAIYRSVCAVEVTYFPFDWQNCSLIFRSQTYNAEEVEFTFAVDNDGKTINKIDIDTEAYTENGEWAIDFCPGVIRRHHGGATDGPGETDVIYSLIIRRKPLFYVINIIVPCVLISGLVLLAYFLPAQAGGQKCTVSINVLLAQTVFLFLIAQKIPETSLSVPLLGRFLIFVMVVATLIVMNCVIVLNVSQRTPTTHAMSPRLRHVLLELLPRLLGSPPPPEAPRAASPPRRASSVGLLLRAEELILKKPRSELVFEGQRHRQGTWTAAFCQSLGAAAPEVRCCVDAVNFVAESTRDQEATGEEVSDWVRMGNALDNICFWAALVLFSVGSSLIFLGAYFNRVPDLPYAPCIQP
  
Inhibitor
Name:
BDBM50516962
Synonyms:
CHEMBL4536136
Type:
Small organic molecule
Emp. Form.:
C26H30N4O6S2
Mol. Mass.:
558.67
SMILES:
CC1(C)Oc2cc3oc(=O)ccc3cc2CC1OC(=O)n1cc(CNC(=O)CCCCC2CCSS2)nn1
Structure:
Search PDB for entries with ligand similarity: