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Target
Cholinesterase
Ligand
BDBM50053429
Substrate
n/a
Meas. Tech.
ChEMBL_1460148 (CHEMBL3369133)
IC50
1880±n/a nM
Citation
 Darras, FH; Wehle, S; Huang, G; Sotriffer, CA; Decker, M Amine substitution of quinazolinones leads to selective nanomolar AChE inhibitors with 'inverted' binding mode. Bioorg Med Chem 22:4867-81 (2014) [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:
BDBM50053429
Synonyms:
CHEMBL3323039
Type:
Small organic molecule
Emp. Form.:
C22H25N3O2
Mol. Mass.:
363.4528
SMILES:
CCN(CC)CCCOc1ccc2nc3-c4ccccc4Cn3c(=O)c2c1
Structure:
Search PDB for entries with ligand similarity: