Reaction Details |
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Target | Cholinesterase |
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Ligand | BDBM50345813 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_749400 (CHEMBL1785190) |
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IC50 | 334±n/a nM |
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Citation | Verheijen, JC; Wiig, KA; Du, S; Connors, SL; Martin, AN; Ferreira, JP; Slepnev, VI; Kochendörfer, U Novel carbamate cholinesterase inhibitors that release biologically active amines following enzyme inhibition. Bioorg Med Chem Lett19:3243-6 (2009) [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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BDBM50345813 |
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n/a |
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Name | BDBM50345813 |
Synonyms: | 3-((S)-1-(dimethylamino)ethyl)phenylmethyl((S)-1-phenylpropan-2-yl)carbamate hydrochloride | CHEMBL1784955 |
Type | Small organic molecule |
Emp. Form. | C21H28N2O2 |
Mol. Mass. | 340.4592 |
SMILES | C[C@@H](Cc1ccccc1)N(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r| |
Structure |
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