Reaction Details  Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50282188
Substrate
n/a
Meas. Tech.
ChEMBL_1723558 (CHEMBL4138836)
IC50
1750±n/a nM
Citation
 Jameel, E; Meena, P; Maqbool, M; Kumar, J; Ahmed, W; Mumtazuddin, S; Tiwari, M; Hoda, N; Jayaram, B Rational design, synthesis and biological screening of triazine-triazolopyrimidine hybrids as multitarget anti-Alzheimer agents. Eur J Med Chem 136:36-51 (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:
BDBM50282188
Synonyms:
CHEMBL4165386
Type:
Small organic molecule
Emp. Form.:
C27H26F3N11
Mol. Mass.:
561.5642
SMILES:
Cc1ccc(Nc2nc(Nc3cccc(c3)C(F)(F)F)nc(n2)N2CCN(CC2)c2cc(C)nc3ncnn23)cc1
Structure:
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