| Reaction Details |
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 | Report a problem with these data |
| Target | Carboxylic ester hydrolase |
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| Ligand | BDBM10948 |
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| Substrate/Competitor | BDBM8978 |
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| Meas. Tech. | Enzyme Inhibition Assay |
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| pH | 7.4±n/a |
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| Temperature | 310.15±n/a K |
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| IC50 | 88400±3500 nM |
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| Citation |  Feng, S; Wang, Z; He, X; Zheng, S; Xia, Y; Jiang, H; Tang, X; Bai, D Bis-huperzine B: highly potent and selective acetylcholinesterase inhibitors. J Med Chem48:655-7 (2005) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Carboxylic ester hydrolase |
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| Name: | Carboxylic ester hydrolase |
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| Synonyms: | Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) | BuChE | Butyrylcholinesterase (BuChE) | butyrylcholinesterase precursor |
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| Type: | Enzyme |
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| Mol. Mass.: | 67776.22 |
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| Organism: | Rattus norvegicus (rat) |
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| Description: | n/a |
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| Residue: | 597 |
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| Sequence: | MVTEIHFLLWILLLCMLFGKSHTEEDVIITTKTGRVRGLSMPILGGTVTAFLGIPYAQPP
LGSLRFKKPQPLNKWPDVYNATKYANSCYQNIDQAFPGFQGSEMWNPNTNLSEDCLYLNV
WIPVPKPKNATVMVWVYGGGFQTGTSSLPVYDGKFLTRVERVIVVSMNYRVGALGFLAFP
GNSEAPGNMGLFDQQLALQWIQRNIAAFGGNPKSVTLFGESAGAASVSLHLLCPQSYPLF
TRAILESGSSNAPWAVKHPEEARNRTLTLAKFIGCSKENEKEIITCLRSKDPQEILLNEK
LVLPSDSIRSINFGPTVDGDFLTDMPHTLLQLGKVKTAQILVGVNKDEGTAFLVYGAPGF
SKDNDSLITRREFQEGLNMYFPGVSSLGKEAILFYYVDWLGDQTPEVYREAFDDIIGDYN
IICPALEFTKKFAELEINAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRVNYT
RAEEIFSRSIMKTWANFAKYGHPNGTQGNSTVWPVFTSTEQKYLTLNTEKSKINSKLRAP
QCQFWRLFFPKVLEITGDIDEREQEWKAGFHRWSNYMMDWKNQFNDYTSKKETCTDL
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| BDBM10948 |
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| BDBM8978 |
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| Name | BDBM10948 |
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| Synonyms: | (1R,10R)-16-methyl-14-{3-[methyl({12-[methyl({3-[(1R,10R)-16-methyl-5-oxo-6,14-diazatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,16-trien-14-yl]-3-oxopropyl})amino]dodecyl})amino]propanoyl}-6,14-diazatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,16-trien-5-one | Bis-huperzine B 5h | bis(20)-HupB |
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| Type | Small organic molecule |
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| Emp. Form. | C52H76N6O4 |
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| Mol. Mass. | 849.1976 |
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| SMILES | CN(CCCCCCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:40,67,TLB:46:47:49.50.56:61.59.58,55:56:47:61.59.58,23:24:26.27.33:38.36.35,32:33:24:38.36.35,THB:28:27:24:38.36.35,37:36:24:26.27.33,51:50:47:61.59.58,60:59:47:49.50.56| |
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| Structure | 
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