Reaction Details |
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Target | Carboxylic ester hydrolase |
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Ligand | BDBM9047 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_403197 (CHEMBL869257) |
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IC50 | 119±n/a nM |
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Citation | Rydberg, EH; Brumshtein, B; Greenblatt, HM; Wong, DM; Shaya, D; Williams, LD; Carlier, PR; Pang, YP; Silman, I; Sussman, JL Complexes of alkylene-linked tacrine dimers with Torpedo californica acetylcholinesterase: Binding of Bis5-tacrine produces a dramatic rearrangement in the active-site gorge. J Med Chem49:5491-500 (2006) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Carboxylic ester hydrolase |
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Name: | Carboxylic ester hydrolase |
Synonyms: | Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) | BuChE | Butyrylcholinesterase (BuChE) | butyrylcholinesterase precursor |
Type: | Enzyme |
Mol. Mass.: | 67776.22 |
Organism: | Rattus norvegicus (rat) |
Description: | n/a |
Residue: | 597 |
Sequence: | MVTEIHFLLWILLLCMLFGKSHTEEDVIITTKTGRVRGLSMPILGGTVTAFLGIPYAQPP
LGSLRFKKPQPLNKWPDVYNATKYANSCYQNIDQAFPGFQGSEMWNPNTNLSEDCLYLNV
WIPVPKPKNATVMVWVYGGGFQTGTSSLPVYDGKFLTRVERVIVVSMNYRVGALGFLAFP
GNSEAPGNMGLFDQQLALQWIQRNIAAFGGNPKSVTLFGESAGAASVSLHLLCPQSYPLF
TRAILESGSSNAPWAVKHPEEARNRTLTLAKFIGCSKENEKEIITCLRSKDPQEILLNEK
LVLPSDSIRSINFGPTVDGDFLTDMPHTLLQLGKVKTAQILVGVNKDEGTAFLVYGAPGF
SKDNDSLITRREFQEGLNMYFPGVSSLGKEAILFYYVDWLGDQTPEVYREAFDDIIGDYN
IICPALEFTKKFAELEINAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRVNYT
RAEEIFSRSIMKTWANFAKYGHPNGTQGNSTVWPVFTSTEQKYLTLNTEKSKINSKLRAP
QCQFWRLFFPKVLEITGDIDEREQEWKAGFHRWSNYMMDWKNQFNDYTSKKETCTDL
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BDBM9047 |
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n/a |
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Name | BDBM9047 |
Synonyms: | Bis-THA inhibitor 5 | CHEMBL73800 | Hexylene-Linked Bis-tacrine | Homodimeric Tacrine Analog 3a | N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-1,2,3,4-tetrahydroacridin-9-amine |
Type | Small organic molecule |
Emp. Form. | C32H38N4 |
Mol. Mass. | 478.6709 |
SMILES | C(CCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12 |
Structure |
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