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Target
Acetylcholinesterase
Ligand
BDBM50105800
Substrate
n/a
Meas. Tech.
ChEMBL_1507558 (CHEMBL3599814)
IC50
7830±n/a nM
Citation
 Rampa, A; Mancini, F; De Simone, A; Falchi, F; Belluti, F; Di Martino, RM; Gobbi, S; Andrisano, V; Tarozzi, A; Bartolini, M; Cavalli, A; Bisi, A From AChE to BACE1 inhibitors: The role of the amine on the indanone scaffold. Bioorg Med Chem Lett 25:2804-8 (2015) [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:
BDBM50105800
Synonyms:
CHEMBL3597556
Type:
Small organic molecule
Emp. Form.:
C42H48FN3O2
Mol. Mass.:
645.8478
SMILES:
CN(Cc1ccccc1)Cc1ccc(\C=C2/CCc3cc(OCCCCCN4CCN(Cc5ccc(F)cc5)CC4)ccc3C2=O)cc1
Structure:
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