Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM50032386 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_29093 (CHEMBL636831) |
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IC50 | 77±n/a nM |
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Citation | Vidaluc, JL; Calmel, F; Bigg, DC; Carilla, E; Briley, M Flexible 1-[(2-aminoethoxy)alkyl]-3-ar(o)yl(thio)ureas as novel acetylcholinesterase inhibitors. Synthesis and biochemical evaluation. J Med Chem38:2969-73 (1995) [PubMed] |
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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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BDBM50032386 |
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n/a |
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Name | BDBM50032386 |
Synonyms: | 1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(4-methyl-benzoyl)-thiourea | CHEMBL102142 | N-(2-(2-(benzyl(methyl)amino)ethoxy)ethylcarbamothioyl)-4-methylbenzamide |
Type | Small organic molecule |
Emp. Form. | C21H27N3O2S |
Mol. Mass. | 385.523 |
SMILES | CN(CCOCCNC(=S)NC(=O)c1ccc(C)cc1)Cc1ccccc1 |
Structure |
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