Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50278986
Substrate
n/a
Meas. Tech.
ChEMBL_1720304 (CHEMBL4135304)
IC50
3170±n/a nM
Citation
 Pandolfi, F; De Vita, D; Bortolami, M; Coluccia, A; Di Santo, R; Costi, R; Andrisano, V; Alabiso, F; Bergamini, C; Fato, R; Bartolini, M; Scipione, L New pyridine derivatives as inhibitors of acetylcholinesterase and amyloid aggregation. Eur J Med Chem 141:197-210 (2017) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE)
Type:
Enzyme
Mol. Mass.:
67792.70
Organism:
Homo sapiens (Human)
Description:
P22303
Residue:
614
Sequence:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM50278986
Synonyms:
CHEMBL4161860
Type:
Small organic molecule
Emp. Form.:
C19H23Cl2N3O
Mol. Mass.:
380.311
SMILES:
Clc1cc(cc(Cl)n1)C(=O)NCCCCCCNCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: