| Reaction Details |
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 | Report a problem with these data |
| Target | Cholinesterase |
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| Ligand | BDBM50556955 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2057658 (CHEMBL4712659) |
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| IC50 | 290±n/a nM |
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| Citation |  Viayna, E; Coquelle, N; Cieslikiewicz-Bouet, M; Cisternas, P; Oliva, CA; Sánchez-López, E; Ettcheto, M; Bartolini, M; De Simone, A; Ricchini, M; Rendina, M; Pons, M; Firuzi, O; Pérez, B; Saso, L; Andrisano, V; Nachon, F; Brazzolotto, X; García, ML; Camins, A; Silman, I; Jean, L; Inestrosa, NC; Colletier, JP; Renard, PY; Muñoz-Torrero, D Discovery of a Potent Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase with Antioxidant Activity that Alleviates Alzheimer-like Pathology in Old APP/PS1 Mice. J Med Chem64:812-839 (2021) [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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| BDBM50556955 |
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| n/a |
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| Name | BDBM50556955 |
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| Synonyms: | CHEMBL4782267 |
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| Type | Small organic molecule |
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| Emp. Form. | C33H32ClN3O3 |
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| Mol. Mass. | 554.078 |
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| SMILES | COc1cc(CNC(=O)c2ccc(CNc3c4C5CC(Cc4nc4cc(Cl)ccc34)C=C(C)C5)cc2)ccc1O |t:33,TLB:22:21:18:33.30.31,THB:15:16:18:33.30.31| |
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| Structure | 
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