Reaction Details 
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Acetylcholinesterase
Ligand
BDBM50556132
Substrate
n/a
Meas. Tech.
ChEMBL_2054941 (CHEMBL4709942)
IC50
120±n/a nM
Citation
?a?ewska, D; Bajda, M; Kaleta, M; Zar?ba, P; Doroz-P?onka, A; Siwek, A; Alachkar, A; Mogilski, S; Saad, A; Kuder, K; Olejarz-Maciej, A; Gody?, J; Stary, D; Sudo?, S; Wi?cek, M; Latacz, G; Walczak, M; Handzlik, J; Sadek, B; Malawska, B; Kie?-Kononowicz, K Rational design of new multitarget histamine H Eur J Med Chem 207:0 (2020) [PubMed] ArticleMore Info.:
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:
BDBM50556132
Synonyms:
CHEMBL4783624
Type:
Small organic molecule
Emp. Form.:
C24H28ClNO3
Mol. Mass.:
413.937
SMILES:
Clc1ccc2oc3ccc(OCCCCCN4CCCCCC4)cc3c(=O)c2c1
Structure:
