Reaction Details  Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50571189
Substrate
n/a
Meas. Tech.
ChEMBL_2114063 (CHEMBL4822913)
IC50
46±n/a nM
Citation
 Mezeiova, E; Hrabinova, M; Hepnarova, V; Jun, D; Janockova, J; Muckova, L; Prchal, L; Kristofikova, Z; Kucera, T; Gorecki, L; Chalupova, K; Kunes, J; Hroudova, J; Soukup, O; Korabecny, J Huprine Y - Tryptophan heterodimers with potential implication to Alzheimer's disease treatment. Bioorg Med Chem Lett 43:0 (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:
BDBM50571189
Synonyms:
CHEMBL4856400
Type:
Small organic molecule
Emp. Form.:
C34H42Cl3N5O
Mol. Mass.:
643.089
SMILES:
Cl.Cl.CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 |r,t:1,TLB:20:9:6:4.8.3,THB:2:3:6:11.10.9|
Structure:
Search PDB for entries with ligand similarity: