| Reaction Details |
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 | Report a problem with these data |
| Target | Cholinesterase |
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| Ligand | BDBM50189893 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1590872 (CHEMBL3830393) |
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| IC50 | 590±n/a nM |
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| Citation |  Strelnik, AD; Petukhov, AS; Zueva, IV; Zobov, VV; Petrov, KA; Nikolsky, EE; Balakin, KV; Bachurin, SO; Shtyrlin, YG Novel potent pyridoxine-based inhibitors of AChE and BChE, structural analogs of pyridostigmine, with improved in vivo safety profile. Bioorg Med Chem Lett26:4092-4 (2016) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cholinesterase |
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| Name: | Cholinesterase |
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| Synonyms: | Acylcholine acylhydrolase | BCHE | Butyrylcholine esterase (BChE) | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | CHE1 | CHLE_HUMAN | Choline esterase II | Cholinesterases | Cholinesterases; ACHE & BCHE | Pseudocholinesterase |
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| Type: | Homotetramer |
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| Mol. Mass.: | 68422.27 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P06276 |
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| Residue: | 602 |
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| Sequence: | MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFGGTVTAFLGIP
YAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDC
LYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALG
FLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPG
SHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEI
LLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVNKDEGTAFLVY
GAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDV
VGDYNFICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLER
RDNYTKAEEILSRSIVKRWANFAKYGNPNETQNNSTSWPVFKSTEQKYLTLNTESTRIMT
KLRAQQCRFWTSFFPKVLEMTGNIDEAEWEWKAGFHRWNNYMMDWKNQFNDYTSKKESCV
GL
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| BDBM50189893 |
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| n/a |
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| Name | BDBM50189893 |
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| Synonyms: | CHEMBL3828679 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H41BrN2O4 |
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| Mol. Mass. | 501.497 |
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| SMILES | [Br-].CCCCCCCCCC(C)C1OCc2c[n+](C)c(C)c(OC(=O)N(C)C)c2CO1 |
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| Structure | 
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