| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholinesterase |
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| Ligand | BDBM50199545 |
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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 | 33.6±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 |
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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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| BDBM50199545 |
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| n/a |
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| Name | BDBM50199545 |
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| Synonyms: | CHEMBL413170 | N,N'-dimethyl-N,N'-bis[3-(1-oxo-8,15-didehydrolycodino)propyl]-1,6-hexanediamine |
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| Type | Small organic molecule |
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| Emp. Form. | C46H68N6O2 |
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| Mol. Mass. | 737.0711 |
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| SMILES | CN(CCCCCCN(C)CCCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:33,59,THB:30:29:17:19.20.26,47:48:39:50.53.51,43:42:39:50.53.51| |
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| Structure | 
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