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Target
Acetylcholinesterase
Ligand
BDBM50523277
Substrate
n/a
Meas. Tech.
ChEMBL_1889410 (CHEMBL4391164)
IC50
21±n/a nM
Citation
 Oukoloff, K; Coquelle, N; Bartolini, M; Naldi, M; Le Guevel, R; Bach, S; Josselin, B; Ruchaud, S; Catto, M; Pisani, L; Denora, N; Iacobazzi, RM; Silman, I; Sussman, JL; Buron, F; Colletier, JP; Jean, L; Routier, S; Renard, PY Design, biological evaluation and X-ray crystallography of nanomolar multifunctional ligands targeting simultaneously acetylcholinesterase and glycogen synthase kinase-3. Eur J Med Chem 168:58-77 (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:
BDBM50523277
Synonyms:
CHEMBL4516356
Type:
Small organic molecule
Emp. Form.:
C37H39N9O3
Mol. Mass.:
657.7641
SMILES:
O=C(Nc1cc(COCc2cn(CCNc3c4CCCCc4nc4ccccc34)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12
Structure:
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