Reaction Details |
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Target | Cholinesterase |
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Ligand | BDBM50277653 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1718356 (CHEMBL4133356) |
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IC50 | >10000±n/a nM |
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Citation | Chierrito, TPC; Pedersoli-Mantoani, S; Roca, C; Requena, C; Sebastian-Perez, V; Castillo, WO; Moreira, NCS; Pérez, C; Sakamoto-Hojo, ET; Takahashi, CS; Jiménez-Barbero, J; Cañada, FJ; Campillo, NE; Martinez, A; Carvalho, I From dual binding site acetylcholinesterase inhibitors to allosteric modulators: A new avenue for disease-modifying drugs in Alzheimer's disease. Eur J Med Chem139:773-791 (2017) [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 |
Synonyms: | Acylcholine acylhydrolase | BCHE | Butyrylcholine esterase (BChE) | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | CHE1 | CHLE_HUMAN | Choline esterase II | Cholinesterases | Cholinesterases; ACHE & BCHE | Pseudocholinesterase |
Type: | Homotetramer |
Mol. Mass.: | 68422.27 |
Organism: | Homo sapiens (Human) |
Description: | P06276 |
Residue: | 602 |
Sequence: | MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFGGTVTAFLGIP
YAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDC
LYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALG
FLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPG
SHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEI
LLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVNKDEGTAFLVY
GAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDV
VGDYNFICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLER
RDNYTKAEEILSRSIVKRWANFAKYGNPNETQNNSTSWPVFKSTEQKYLTLNTESTRIMT
KLRAQQCRFWTSFFPKVLEMTGNIDEAEWEWKAGFHRWNNYMMDWKNQFNDYTSKKESCV
GL
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BDBM50277653 |
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n/a |
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Name | BDBM50277653 |
Synonyms: | CHEMBL4176598 |
Type | Small organic molecule |
Emp. Form. | C16H17N5O |
Mol. Mass. | 295.3391 |
SMILES | [N-]=[N+]=Nc1cc(CN2CCC(CC2)C=O)nc2ccccc12 |
Structure |
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