Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50148173
Substrate
n/a
Meas. Tech.
ChEMBL_1648346 (CHEMBL3997402)
IC50
>10000±n/a nM
Citation
 Park, B; Nam, JH; Kim, JH; Kim, HJ; Onnis, V; Balboni, G; Lee, KT; Park, JH; Catto, M; Carotti, A; Lee, JY 3,4-Dihydroquinazoline derivatives inhibit the activities of cholinesterase enzymes. Bioorg Med Chem Lett 27:1179-1185 (2017) [PubMed]  Article 
Target
Name:
Cholinesterase
Synonyms:
Cholinesterase | CHLE_HORSE | BCHE | Butyrylcholinesterase (BuChE)
Type:
Enzyme
Mol. Mass.:
65643.35
Organism:
Horse
Description:
P81908
Residue:
574
Sequence:
EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
  
Inhibitor
Name:
BDBM50148173
Synonyms:
N-Benzyl-2-[2-(4-methyl-piperazin-1-yl)-3-phenyl-3,4-dihydro-quinazolin-4-yl]-acetamide | N-benzyl-2-(2-(4-methylpiperazin-1-yl)-3-phenyl-3,4-dihydroquinazolin-4-yl)acetamide | CHEMBL326854
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CN1CCN(CC1)C1=Nc2ccccc2C(CC(=O)NCc2ccccc2)N1c1ccccc1 |t:8|
Structure:
Search PDB for entries with ligand similarity: