Reaction Details  Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50569755
Substrate
n/a
Meas. Tech.
ChEMBL_2110044 (CHEMBL4818719)
IC50
5180±n/a nM
Citation
 Gorecki, L; Misiachna, A; Damborsky, J; Dolezal, R; Korabecny, J; Cejkova, L; Hakenova, K; Chvojkova, M; Karasova, JZ; Prchal, L; Novak, M; Kolcheva, M; Kortus, S; Vales, K; Horak, M; Soukup, O Structure-activity relationships of dually-acting acetylcholinesterase inhibitors derived from tacrine on N-methyl-d-Aspartate receptors. Eur J Med Chem 219:0 (2021) [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:
BDBM50569755
Synonyms:
CHEMBL4857870
Type:
Small organic molecule
Emp. Form.:
C13H13Br2ClN2
Mol. Mass.:
392.517
SMILES:
Cl.Nc1c2CCCCc2nc2c(Br)cc(Br)cc12
Structure:
Search PDB for entries with ligand similarity: