Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50579835
Substrate
n/a
Meas. Tech.
ChEMBL_2145519 (CHEMBL5029799)
IC50
>100000±n/a nM
Citation
 Maafi, N; Pidaný, F; Ma?íková, J; Korábe?ný, J; Hulcová, D; Ku?era, T; Schmidt, M; Shammari, LA; ?pulák, M; Carmen Catapano, M; Mecava, M; Prchal, L; Kune?, J; Janou?ek, J; Kohelová, E; Jen?o, J; Nováková, L; Cahlíková, L Derivatives of montanine-type alkaloids and their implication for the treatment of Alzheimer's disease: Synthesis, biological activity and in silico study. Bioorg Med Chem Lett 51:0 (2021) [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:
BDBM50579835
Synonyms:
CHEMBL5077463
Type:
Small organic molecule
Emp. Form.:
C22H21NO6
Mol. Mass.:
395.4052
SMILES:
[H][C@]12C[C@H](OC)[C@@H](OC(=O)c3ccoc3)C=C1[C@@]1([H])CN2Cc2cc3OCOc3cc12 |r,c:16|
Structure:
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