| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholinesterase |
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| Ligand | BDBM8976 |
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| Substrate/Competitor | BDBM8959 |
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| Meas. Tech. | Measurement of FBSAChE/EqBuChE Inhibitory Activity |
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| pH | 8±n/a |
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| Temperature | 298.15±n/a K |
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| Ki | 130±20 nM |
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| Citation |  Campiani, G; Fattorusso, C; Butini, S; Gaeta, A; Agnusdei, M; Gemma, S; Persico, M; Catalanotti, B; Savini, L; Nacci, V; Novellino, E; Holloway, HW; Greig, NH; Belinskaya, T; Fedorko, JM; Saxena, A Development of molecular probes for the identification of extra interaction sites in the mid-gorge and peripheral sites of butyrylcholinesterase (BuChE). Rational design of novel, selective, and highly potent BuChE inhibitors. J Med Chem48:1919-29 (2005) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Acetylcholinesterase |
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| Name: | Acetylcholinesterase |
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| Synonyms: | ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE) |
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| Type: | Enzyme |
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| Mol. Mass.: | 67792.70 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P22303 |
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| Residue: | 614 |
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| Sequence: | MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPV
SAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSM
NYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASV
GMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTEL
VACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVG
VVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPE
DPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGY
EIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQ
YVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQDRCSDL
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| BDBM8976 |
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| BDBM8959 |
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| Name | BDBM8976 |
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| Synonyms: | CHEMBL175555 | N-Methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N-[4-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)butyl]-1,3-propanediamine | Tacrine Dimer 4l | methyl[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl][4-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)butyl]amine |
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| Type | Small organic molecule |
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| Emp. Form. | C34H42N4S |
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| Mol. Mass. | 538.789 |
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| SMILES | CN(CCCCSc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 |
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| Structure | 
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