Reaction Details |
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Target | Cholinesterase |
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Ligand | BDBM13542 |
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Substrate/Competitor | BDBM8978 |
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Meas. Tech. | Cholinesterase Inhibition Assay |
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IC50 | 0.523±n/a nM |
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Citation | Elsinghorst, PW; Tanarro, CM; Gutschow, M Novel heterobivalent tacrine derivatives as cholinesterase inhibitors with notable selectivity toward butyrylcholinesterase. J Med Chem49:7540-4 (2006) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, 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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BDBM13542 |
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BDBM8978 |
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Name | BDBM13542 |
Synonyms: | 3,4,5-Trimethoxy-N-(7-oxo-7-(2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazino)heptyl)-benzamide | 3,4,5-trimethoxy-N-[6-(N'-1,2,3,4-tetrahydroacridin-9-ylhydrazinecarbonyl)hexyl]benzamide | tacrine derivative 15g |
Type | Small organic molecule |
Emp. Form. | C30H38N4O5 |
Mol. Mass. | 534.6465 |
SMILES | COc1cc(cc(OC)c1OC)C(=O)NCCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 |
Structure |
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