Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50292442
Substrate
n/a
Meas. Tech.
ChEMBL_1732725 (CHEMBL4148261)
Ki
13410±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:
ACES_ELEEL | Acetylcholinesterase (AChE) | Acetylcholinesterase (EeAChE) | ache
Type:
Enzyme
Mol. Mass.:
71812.79
Organism:
Electrophorus electricus (Electric eel)
Description:
n/a
Residue:
633
Sequence:
MKILDALLFPVIFIMFFIHLSIAQTDPELTIMTRLGQVQGTRLPVPDRSHVIAFLGIPFAEPPLGKMRFKPPEPKKPWNDVFDARDYPSACYQYVDTSYPGFSGTEMWNPNRMMSEDCLYLNVWVPATPRPHNLTVMVWIYGGGFYSGSSSLDVYDGRYLAHSEKVVVVSMNYRVSAFGFLALNGSAEAPGNVGLLDQRLALQWVQDNIHFFGGNPKQVTIFGESAGAASVGMHLLSPDSRPKFTRAILQSGVPNGPWRTVSFDEARRRAIKLGRLVGCPDGNDTDLIDCLRSKQPQDLIDQEWLVLPFSGLFRFSFVPVIDGVVFPDTPEAMLNSGNFKDTQILLGVNQNEGSYFLIYGAPGFSKDNESLITREDFLQGVKMSVPHANEIGLEAVILQYTDWMDEDNPIKNREAMDDIVGDHNVVCPLQHFAKMYAQYSILQGQTGTASQGNLGWGNSGSASNSGNSQVSVYLYMFDHRASNLVWPEWMGVIHGYEIEFVFGLPLEKRLNYTLEEEKLSRRMMKYWANFARTGNPNINVDGSIDSRRRWPVFTSTEQKHVGLNTDSLKVHKGLKSQFCALWNRFLPRLLNVTENIDDAERQWKAEFHRWSSYMMHWKNQFDHYSKQERCTNL
  
Inhibitor
Name:
BDBM50292442
Synonyms:
CHEMBL4171226
Type:
Small organic molecule
Emp. Form.:
C20H22FN3O2
Mol. Mass.:
355.406
SMILES:
OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(F)cc2)C1
Structure:
Search PDB for entries with ligand similarity: