Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM50027377 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1442173 (CHEMBL3375246) |
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IC50 | 110300±n/a nM |
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Citation | Brus, B; Ko?ak, U; Turk, S; Pi?lar, A; Coquelle, N; Kos, J; Stojan, J; Colletier, JP; Gobec, S Discovery, biological evaluation, and crystal structure of a novel nanomolar selective butyrylcholinesterase inhibitor. J Med Chem57:8167-79 (2014) [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_MOUSE | Acetylcholinesterase (AChE) | Acetylcholinesterase (mouse AChE) | Acetylcholinesterase precursor | Ache |
Type: | Enzyme |
Mol. Mass.: | 68165.65 |
Organism: | Mus musculus (mouse) |
Description: | n/a |
Residue: | 614 |
Sequence: | MRPPWYPLHTPSLAFPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPV
SAFLGIPFAEPPVGSRRFMPPEPKRPWSGVLDATTFQNVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPASPTPVLIWIYGGGFYSGAASLDVYDGRFLAQVEGAVLVSM
NYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASV
GMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTEL
IACLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPEALINTGDFQDLQVLVG
VVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPE
DPTHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGY
EIEFIFGLPLDPSLNYTTEERIFAQRLMKYWTNFARTGDPNDPRDSKSPQWPPYTTAAQQ
YVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQERCSDL
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BDBM50027377 |
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n/a |
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Name | BDBM50027377 |
Synonyms: | CHEMBL3338395 |
Type | Small organic molecule |
Emp. Form. | C29H34N2O2 |
Mol. Mass. | 442.5925 |
SMILES | COCCN(C[C@H]1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1ccc2ccccc2c1 |r| |
Structure |
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