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Target
Acetylcholinesterase
Ligand
BDBM25870
Substrate
n/a
Meas. Tech.
ChEMBL_2088471 (CHEMBL4769734)
IC50
73300±n/a nM
Citation
 Rodríguez-Lavado, J; Gallardo-Garrido, C; Mallea, M; Bustos, V; Osorio, R; Hödar-Salazar, M; Chung, H; Araya-Maturana, R; Lorca, M; Pessoa-Mahana, CD; Mella-Raipán, J; Saitz, C; Jaque, P; Reyes-Parada, M; Iturriaga-Vásquez, P; Pessoa-Mahana, H Synthesis, in vitro evaluation and molecular docking of a new class of indolylpropyl benzamidopiperazines as dual AChE and SERT ligands for Alzheimer's disease. Eur J Med Chem 198:0 (2020) [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:
BDBM25870
Synonyms:
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile | CHEMBL549 | CITALOPRAM | CITALOPRAM HYDROBROMIDE | Escitalopram | [3H]Citalopram | [3H]Cytalopram | [3H]Escitalopram | [3H]Lexapro
Type:
radiolabeled ligand
Emp. Form.:
C20H21FN2O
Mol. Mass.:
324.3919
SMILES:
CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
Structure:
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