| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholinesterase |
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| Ligand | BDBM50032392 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_29093 (CHEMBL636831) |
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| IC50 | 1500±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 |
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| Synonyms: | ACES_RAT | Acetylcholinesterase (AChE) | Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) | Acetylcholinesterase precursor | Acetylcholinesterase, AChE | Ache |
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| Type: | Enzyme |
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| Mol. Mass.: | 68193.62 |
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| Organism: | Rattus norvegicus (rat) |
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| Description: | P37136 |
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| Residue: | 614 |
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| Sequence: | MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPV
SAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSM
NYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASV
GMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTEL
ISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVG
VVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPE
DPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGY
EIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQ
YVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQERCSDL
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| BDBM50032392 |
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| n/a |
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| Name | BDBM50032392 |
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| Synonyms: | 1-(3,4-Dimethoxy-phenyl)-3-(2-{2-[methyl-(3-nitro-benzyl)-amino]-ethoxy}-ethyl)-thiourea | 1-(3,4-dimethoxyphenyl)-3-(2-(2-(methyl(3-nitrobenzyl)amino)ethoxy)ethyl)thiourea | CHEMBL329518 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H28N4O5S |
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| Mol. Mass. | 448.536 |
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| SMILES | COc1ccc(NC(=[SH+])[N-]CCOCCN(C)Cc2cccc(c2)[N+]([O-])=O)cc1OC |
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| Structure | 
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