Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50197240
Substrate
n/a
Meas. Tech.
ChEMBL_1648347 (CHEMBL3997403)
Ki
29±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:
BCHE | Butyrylcholinesterase (BuChE) | CHLE_HORSE | Cholinesterase
Type:
Enzyme
Mol. Mass.:
65643.35
Organism:
Equus caballus (Horse)
Description:
P81908
Residue:
574
Sequence:
EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
  
Inhibitor
Name:
BDBM50197240
Synonyms:
CHEMBL248088 | KYS-05080 | N-Benzyl-2-{3-biphenyl-4-yl-2-[methyl-(5-pyrrolidin-1-yl-pentyl)-amino]-3,4-dihydro-quinazolin-4-yl}-acetamide | N-benzyl-2-(3-(biphenyl-4-yl)-2-(methyl(5-(pyrrolidin-1-yl)pentyl)amino)-3,4-dihydroquinazolin-4-yl)acetamide
Type:
Small organic molecule
Emp. Form.:
C39H45N5O
Mol. Mass.:
599.8075
SMILES:
CN(CCCCCN1CCCC1)C1=Nc2ccccc2C(CC(=O)NCc2ccccc2)N1c1ccc(cc1)-c1ccccc1 |t:13|
Structure:
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