Reaction Details Report a problem with these data
Target
Acetylcholine receptor subunit epsilon
Ligand
BDBM50596382
Substrate
n/a
Meas. Tech.
ChEMBL_2220327 (CHEMBL5133661)
IC50
83±n/a nM
Citation
 Shi, Y; Zhang, H; Song, Q; Yu, G; Liu, Z; Zhong, F; Tan, Z; Liu, X; Deng, Y Development of novel 2-aminoalkyl-6-(2-hydroxyphenyl)pyridazin-3(2H)-one derivatives as balanced multifunctional agents against Alzheimer's disease. Eur J Med Chem 230:0 (2022) [PubMed] 
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:
BDBM50596382
Synonyms:
CHEMBL5188135
Type:
Small organic molecule
Emp. Form.:
C25H29FN4O4
Mol. Mass.:
468.5206
SMILES:
CCN(CCCCCCn1nc(ccc1=O)-c1cc(ccc1O)[N+]([O-])=O)Cc1cccc(F)c1
Structure:
Search PDB for entries with ligand similarity: