Reaction Details |
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Target | Cholinesterase |
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Ligand | BDBM50004000 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_534768 (CHEMBL986292) |
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IC50 | 28±n/a nM |
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Citation | Carolan, CG; Dillon, GP; Gaynor, JM; Reidy, S; Ryder, SA; Khan, D; Marquez, JF; Gilmer, JF Isosorbide-2-carbamate esters: potent and selective butyrylcholinesterase inhibitors. J Med Chem51:6400-9 (2008) [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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BDBM50004000 |
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n/a |
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Name | BDBM50004000 |
Synonyms: | (3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate | Antilirium | CHEMBL94 | Eserine | Physostol | physostigmine |
Type | Small organic molecule |
Emp. Form. | C15H21N3O2 |
Mol. Mass. | 275.3461 |
SMILES | CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| |
Structure |
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