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Target
Acetylcholinesterase
Ligand
BDBM50525980
Substrate
n/a
Meas. Tech.
ChEMBL_1898859 (CHEMBL4400974)
IC50
9700±n/a nM
Citation
 González-Naranjo, P; Pérez-Macias, N; Pérez, C; Roca, C; Vaca, G; Girón, R; Sánchez-Robles, E; Martín-Fontelles, MI; de Ceballos, ML; Martin-Requero, A; Campillo, NE; Páez, JA Indazolylketones as new multitarget cannabinoid drugs. Eur J Med Chem 166:90-107 (2019) [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:
BDBM50525980
Synonyms:
CHEMBL4539963
Type:
Small organic molecule
Emp. Form.:
C22H24ClN3O2
Mol. Mass.:
397.898
SMILES:
Clc1ccccc1C(=O)n1nc(OCCCN2CCCCC2)c2ccccc12
Structure:
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