Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM50193533 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1615950 (CHEMBL3858019) |
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IC50 | 108±n/a nM |
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Citation | Ceschi, MA; da Costa, JS; Lopes, JPB; Câmara, VS; Campo, LF; Borges, ACA; Gonçalves, CAS; de Souza, DF; Konrath, EL; Karl, ALM; Guedes, IA; Dardenne, LE Novel series of tacrine-tianeptine hybrids: Synthesis, cholinesterase inhibitory activity, S100B secretion and a molecular modeling approach. Eur J Med Chem121:758-772 (2016) [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_RAT | Acetylcholinesterase (AChE) | Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) | Acetylcholinesterase precursor | Acetylcholinesterase, AChE | Ache |
Type: | Enzyme |
Mol. Mass.: | 68193.62 |
Organism: | Rattus norvegicus (rat) |
Description: | P37136 |
Residue: | 614 |
Sequence: | MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPV
SAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSM
NYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASV
GMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTEL
ISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVG
VVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPE
DPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGY
EIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQ
YVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQERCSDL
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BDBM50193533 |
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n/a |
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Name | BDBM50193533 |
Synonyms: | CHEMBL3925612 |
Type | Small organic molecule |
Emp. Form. | C39H48ClN5O3S |
Mol. Mass. | 702.348 |
SMILES | CN1c2ccccc2C(NCCCCCCC(=O)NCCCCCNc2c3CCCCc3nc3ccccc23)c2ccc(Cl)cc2S1(=O)=O |
Structure |
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