Reaction Details |
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Target | Cholinesterase |
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Ligand | BDBM50160078 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1565850 (CHEMBL3789713) |
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IC50 | 13±n/a nM |
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Citation | Sawatzky, E; Wehle, S; Kling, B; Wendrich, J; Bringmann, G; Sotriffer, CA; Heilmann, J; Decker, M Discovery of Highly Selective and Nanomolar Carbamate-Based Butyrylcholinesterase Inhibitors by Rational Investigation into Their Inhibition Mode. J Med Chem59:2067-82 (2016) [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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BDBM50160078 |
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n/a |
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Name | BDBM50160078 |
Synonyms: | CHEMBL3787613 |
Type | Small organic molecule |
Emp. Form. | C22H31N3O2S |
Mol. Mass. | 401.565 |
SMILES | CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cccs1 |
Structure |
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