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Target
Acetylcholinesterase
Ligand
BDBM50032160
Substrate
n/a
Meas. Tech.
ChEMBL_715113 (CHEMBL1664219)
IC50
3.63±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:
BDBM50032160
Synonyms:
3-(2-(1-benzylpiperidin-4-yl)ethyl)-6H-isoxazolo[5,4-e]indol-7(8H)-one | 3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-6,8-dihydro-isoxazolo[5,4-e]indol-7-one | CHEMBL95020
Type:
Small organic molecule
Emp. Form.:
C23H25N3O2
Mol. Mass.:
375.4635
SMILES:
O=C1Cc2c(N1)ccc1c(CCC3CCN(Cc4ccccc4)CC3)noc21
Structure:
Search PDB for entries with ligand similarity: