Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50393854
Substrate
n/a
Meas. Tech.
ChEMBL_855525 (CHEMBL2162681)
IC50
45.71±n/a nM
Citation
 Wang, Y; Wang, F; Yu, JP; Jiang, FC; Guan, XL; Wang, CM; Li, L; Cao, H; Li, MX; Chen, JG Novel multipotent phenylthiazole-tacrine hybrids for the inhibition of cholinesterase activity,ß-amyloid aggregation and Ca²¿ overload. Bioorg Med Chem 20:6513-22 (2012) [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:
BDBM50393854
Synonyms:
CHEMBL2158126
Type:
Small organic molecule
Emp. Form.:
C31H36ClN5OS
Mol. Mass.:
562.168
SMILES:
CCN(CCCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: