Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM50523276 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1889410 (CHEMBL4391164) |
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IC50 | 9.5±n/a nM |
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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 Chem168:58-77 (2019) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Acetylcholinesterase |
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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: | MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPV
SAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSM
NYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASV
GMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTEL
VACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVG
VVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPE
DPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGY
EIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQ
YVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQDRCSDL
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BDBM50523276 |
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n/a |
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Name | BDBM50523276 |
Synonyms: | CHEMBL4443989 |
Type | Small organic molecule |
Emp. Form. | C35H35N9O2 |
Mol. Mass. | 613.7115 |
SMILES | [H][C@]12CCCCN1C(=O)c1cccc(NC(=O)Nc3cc(ccn3)-c3cn(CCNc4c5CCCCc5nc5ccccc45)nn3)c21 |r| |
Structure |
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