| Reaction Details |
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 | Report a problem with these data |
| Target | Cholinesterase |
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| Ligand | BDBM50027376 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1677307 (CHEMBL4027450) |
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| IC50 | 21±n/a nM |
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| Citation |  Ko?ak, U; Brus, B; Knez, D; ?akelj, S; Trontelj, J; Pi?lar, A; ?ink, R; Juki?, M; ?ivin, M; Podkowa, A; Nachon, F; Brazzolotto, X; Stojan, J; Kos, J; Coquelle, N; Sa?at, K; Colletier, JP; Gobec, S The Magic of Crystal Structure-Based Inhibitor Optimization: Development of a Butyrylcholinesterase Inhibitor with Picomolar Affinity and in Vivo Activity. J Med Chem61:119-139 (2018) [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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| BDBM50027376 |
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| n/a |
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| Name | BDBM50027376 |
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| Synonyms: | CHEMBL3338391 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H34N2O2 |
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| Mol. Mass. | 442.5925 |
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| SMILES | COCCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1ccc2ccccc2c1 |
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| Structure | 
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