Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50232665
Substrate
n/a
Meas. Tech.
ChEMBL_1648346 (CHEMBL3997402)
IC50
2040±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:
BDBM50232665
Synonyms:
CHEMBL4076174
Type:
Small organic molecule
Emp. Form.:
C39H48F2N6O
Mol. Mass.:
654.39
SMILES:
Fc1ccc(CNC(=O)CC2N(C(=Nc3c(F)cccc23)N2CCN(CCN3CCCC3)CC2)c2ccc(cc2)C2CCCCC2)cc1 |c:12|
Structure:
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