Reaction Details |
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Target | Cholinesterase |
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Ligand | BDBM50187201 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1783504 (CHEMBL4255021) |
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IC50 | 0.890000±n/a nM |
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Citation | Chierrito, TPC; Pedersoli-Mantoani, S; Roca, C; Sebastian-Pérez, V; Martínez-Gonzalez, L; Pérez, DI; Perez, C; Canales, A; Cañada, FJ; Campillo, NE; Carvalho, I; Martinez, A Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem145:431-444 (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 |
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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BDBM50187201 |
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n/a |
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Name | BDBM50187201 |
Synonyms: | CHEMBL3824248 |
Type | Small organic molecule |
Emp. Form. | C25H31N3O |
Mol. Mass. | 389.5331 |
SMILES | O=C(CCc1c[nH]c2ccccc12)NCCC1CCN(Cc2ccccc2)CC1 |
Structure |
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