Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM50199515 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_441060 (CHEMBL890218) |
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pH | 5±n/a |
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IC50 | 78.4±n/a nM |
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Comments | extracted |
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Citation | He, XC; Feng, S; Wang, ZF; Shi, Y; Zheng, S; Xia, Y; Jiang, H; Tang, XC; Bai, D Study on dual-site inhibitors of acetylcholinesterase: Highly potent derivatives of bis- and bifunctional huperzine B. Bioorg Med Chem15:1394-408 (2007) [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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BDBM50199515 |
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n/a |
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Name | BDBM50199515 |
Synonyms: | CHEMBL244027 | N,N'-dimethyl-N,N'-bis[2-(1-oxo-8,15-didehydrolycodino)ethyl]-1,6-hexanediamine |
Type | Small organic molecule |
Emp. Form. | C44H64N6O2 |
Mol. Mass. | 709.018 |
SMILES | CN(CCCCCCN(C)CCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:32,57,THB:29:28:16:18.19.25,45:46:37:48.51.49,41:40:37:48.51.49| |
Structure |
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