| Reaction Details |
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 | Report a problem with these data |
| Target | Cholinesterase |
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| Ligand | BDBM50281388 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1722778 (CHEMBL4137778) |
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| IC50 | 1690±n/a nM |
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| Citation |  Bautista-Aguilera, ÓM; Budni, J; Mina, F; Medeiros, EB; Deuther-Conrad, W; Entrena, JM; Moraleda, I; Iriepa, I; López-Muñoz, F; Marco-Contelles, J Contilisant, a Tetratarget Small Molecule for Alzheimer's Disease Therapy Combining Cholinesterase, Monoamine Oxidase Inhibition, and H3R Antagonism with S1R Agonism Profile. J Med Chem61:6937-6943 (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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| BDBM50281388 |
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| n/a |
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| Name | BDBM50281388 |
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| Synonyms: | CHEMBL4173258 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H31N3O |
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| Mol. Mass. | 353.501 |
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| SMILES | CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C |
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| Structure | 
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