Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50342609
Substrate
n/a
Meas. Tech.
ChEMBL_744974 (CHEMBL1771989)
IC50
27300±n/a nM
Citation
 Bolognesi, ML; Bartolini, M; Tarozzi, A; Morroni, F; Lizzi, F; Milelli, A; Minarini, A; Rosini, M; Hrelia, P; Andrisano, V; Melchiorre, C Multitargeted drugs discovery: balancing anti-amyloid and anticholinesterase capacity in a single chemical entity. Bioorg Med Chem Lett 21:2655-8 (2011) [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:
BDBM50342609
Synonyms:
2,5-bis(6-(4-(benzo[d]thiazol-2-yl)benzylamino)hexylamino)cyclohexa-2,5-diene-1,4-dione | CHEMBL1770555
Type:
Small organic molecule
Emp. Form.:
C46H50N6O2S2
Mol. Mass.:
783.058
SMILES:
Oc1cc(N=CCCCCCNCc2ccc(cc2)-c2nc3ccccc3s2)c(O)cc1NCCCCCCNCc1ccc(cc1)-c1nc2ccccc2s1 |w:4.3|
Structure:
Search PDB for entries with ligand similarity: