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Target
Acetylcholinesterase
Ligand
BDBM50039713
Substrate
n/a
Meas. Tech.
ChEMBL_715113 (CHEMBL1664219)
IC50
7.08±n/a nM
Citation
 Araújo, JQ; de Brito, MA; Hoelz, LV; de Alencastro, RB; Castro, HC; Rodrigues, CR; Albuquerque, MG Receptor-dependent (RD) 3D-QSAR approach of a series of benzylpiperidine inhibitors of human acetylcholinesterase (HuAChE). Eur J Med Chem 46:39-51 (2010) [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:
BDBM50039713
Synonyms:
3-(2-(1-benzylpiperidin-4-yl)ethyl)-7-methoxybenzo[d]isoxazole | 3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-7-methoxy-benzo[d]isoxazole | CHEMBL93619
Type:
Small organic molecule
Emp. Form.:
C22H26N2O2
Mol. Mass.:
350.454
SMILES:
COc1cccc2c(CCC3CCN(Cc4ccccc4)CC3)noc12
Structure:
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