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Target
Acetylcholinesterase
Ligand
BDBM8960
Substrate
n/a
Meas. Tech.
ChEMBL_1732719 (CHEMBL4148255)
IC50
5.7±n/a nM
Citation
 Dias Viegas, FP; de Freitas Silva, M; Divino da Rocha, M; Castelli, MR; Riquiel, MM; Machado, RP; Vaz, SM; Simões de Lima, LM; Mancini, KC; Marques de Oliveira, PC; Morais, ÉP; Gontijo, VS; da Silva, FMR; D'Alincourt da Fonseca Peçanha, D; Castro, NG; Neves, GA; Giusti-Paiva, A; Vilela, FC; Orlandi, L; Camps, I; Veloso, MP; Leomil Coelho, LF; Ionta, M; Ferreira-Silva, GÁ; Pereira, RM; Dardenne, LE; Guedes, IA; de Oliveira Carneiro Junior, W; Quaglio Bellozi, PM; Pinheiro de Oliveira, AC; Ferreira, FF; Pruccoli, L; Tarozzi, A; Viegas, C Design, synthesis and pharmacological evaluation of N-benzyl-piperidinyl-aryl-acylhydrazone derivatives as donepezil hybrids: Discovery of novel multi-target anti-alzheimer prototype drug candidates. Eur J Med Chem 147:48-65 (2018) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE) | ACES_HUMAN | ACHE
Type:
Enzyme
Mol. Mass.:
67792.70
Organism:
Human
Description:
P22303
Residue:
614
Sequence:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM8960
Synonyms:
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one | DONEPEZIL HYDROCHLORIDE | E2020 | Aricept | CHEMBL2337271 | CHEMBL1678 | (+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-indan-1-one | CHEMBL502 | Donepezil | US8999994, Donepezil | Aricept odt | Donepzil | US9346818, DPH | US9586925, Donepezil | US9663465, Donepezil
Type:
Small organic molecule
Emp. Form.:
C24H29NO3
Mol. Mass.:
379.21
SMILES:
COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3CCN(CC3)Cc4ccccc4
Structure:
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