Reaction Details |
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Target | Cholinesterase |
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Ligand | BDBM50577151 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2129522 (CHEMBL4838951) |
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IC50 | 554±n/a nM |
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Citation | Mol?da, Z; Zawadzka, A; Czarnocki, Z; Monjas, L; Hirsch, AKH; Budzianowski, A; Maurin, JK "Clicking" fragment leads to novel dual-binding cholinesterase inhibitors. Bioorg Med Chem42:0 (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 |
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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BDBM50577151 |
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n/a |
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Name | BDBM50577151 |
Synonyms: | CHEMBL4852686 |
Type | Small organic molecule |
Emp. Form. | C35H42N6O5 |
Mol. Mass. | 626.7452 |
SMILES | [H][C@]12C[C@@H](O)C=C[C@]11CCN(CCCCc3cn(CC(=O)NCCc4c[nH]c5ccc(OC)cc45)nn3)Cc3ccc(OC)c(O2)c13 |r,c:5| |
Structure |
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