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Target
Acetylcholinesterase
Ligand
BDBM50034000
Substrate
n/a
Meas. Tech.
ChEMBL_28164 (CHEMBL885303)
IC50
30±n/a nM
Citation
 Nagel, AA; Liston, DR; Jung, S; Mahar, M; Vincent, LA; Chapin, D; Chen, YL; Hubbard, S; Ives, JL; Jones, SB Design and synthesis of 1-heteroaryl-3-(1-benzyl-4-piperidinyl)propan-1-one derivatives as potent, selective acetylcholinesterase inhibitors. J Med Chem 38:1084-9 (1995) [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:
BDBM50034000
Synonyms:
3-(1-Benzyl-piperidin-4-yl)-1-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-propan-1-one; hydrochloride | CHEMBL1196495 | CHEMBL557181
Type:
Small organic molecule
Emp. Form.:
C23H27NO3
Mol. Mass.:
365.4654
SMILES:
O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2OCCOc2c1
Structure:
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