Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM10626
Substrate
n/a
Meas. Tech.
ChEMBL_2158932 (CHEMBL5043682)
IC50
27±n/a nM
Citation
 Liu, D; Zhang, H; Wang, Y; Liu, W; Yin, G; Wang, D; Li, J; Shi, T; Wang, Z Design, synthesis, and biological evaluation of carbamate derivatives of N-salicyloyl tryptamine as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem 229:0 (2022) [PubMed]  Article 
Target
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:
MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDCLYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALGFLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPGSHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEILLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDVVGDYNFICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRDNYTKAEEILSRSIVKRWANFAKYGNPNETQNNSTSWPVFKSTEQKYLTLNTESTRIMTKLRAQQCRFWTSFFPKVLEMTGNIDEAEWEWKAGFHRWNNYMMDWKNQFNDYTSKKESCVGL
  
Inhibitor
Name:
BDBM10626
Synonyms:
(-)-(3aS)-3a-Methyl-2,3,3a,8a-Tetrahydrofuro[2,3-b]benzofuran-5-yl N-(p-Isopropylphenyl)carbamate | (2S)-2-methyl-5,7-dioxatricyclo[6.4.0.0^{2,6}]dodeca-1(12),8,10-trien-11-yl N-[4-(propan-2-yl)phenyl]carbamate | Tetrahydrofurobenzofuran Carbamate 10a
Type:
Small organic molecule
Emp. Form.:
C21H23NO4
Mol. Mass.:
353.4116
SMILES:
CC(C)c1ccc(NC(=O)Oc2ccc3OC4OCC[C@@]4(C)c3c2)cc1 |r|
Structure:
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