Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50319377
Substrate
n/a
Meas. Tech.
ChEMBL_634041 (CHEMBL1118313)
IC50
7.3±n/a nM
Citation
 Yu, L; Cao, R; Yi, W; Yan, Q; Chen, Z; Ma, L; Peng, W; Song, H Synthesis of 4-[(diethylamino)methyl]-phenol derivatives as novel cholinesterase inhibitors with selectivity towards butyrylcholinesterase. Bioorg Med Chem Lett 20:3254-8 (2010) [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:
BDBM50319377
Synonyms:
CHEMBL1082846 | N-ethyl-N-(4-(8-(piperidin-1-yl)octyloxy)benzyl)ethanamine
Type:
Small organic molecule
Emp. Form.:
C24H42N2O
Mol. Mass.:
374.6031
SMILES:
CCN(CC)Cc1ccc(OCCCCCCCCN2CCCCC2)cc1
Structure:
Search PDB for entries with ligand similarity: