Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50441842
Substrate
n/a
Meas. Tech.
ChEMBL_986887 (CHEMBL2438751)
IC50
45±n/a nM
Citation
 Li, SY; Wang, XB; Xie, SS; Jiang, N; Wang, KD; Yao, HQ; Sun, HB; Kong, LY Multifunctional tacrine-flavonoid hybrids with cholinergic,ß-amyloid-reducing, and metal chelating properties for the treatment of Alzheimer's disease. Eur J Med Chem 69:632-46 (2013) [PubMed]  Article 
Target
Name:
Cholinesterase
Synonyms:
BCHE | Butyrylcholinesterase (BuChE) | CHLE_HORSE | Cholinesterase
Type:
Enzyme
Mol. Mass.:
65643.35
Organism:
Equus caballus (Horse)
Description:
P81908
Residue:
574
Sequence:
EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
  
Inhibitor
Name:
BDBM50441842
Synonyms:
CHEMBL2436690
Type:
Small organic molecule
Emp. Form.:
C32H38N4O4
Mol. Mass.:
542.6685
SMILES:
Oc1cc(OCCCN2CCN(CCCNc3c4CCCCc4nc4ccccc34)CC2)cc2occc(=O)c12
Structure:
Search PDB for entries with ligand similarity: