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Target
Cholinesterase
Ligand
BDBM50564501
Substrate
n/a
Meas. Tech.
ChEMBL_2088242 (CHEMBL4769505)
IC50
14050±n/a nM
Citation
 Singh, YP; Tej, GNVC; Pandey, A; Priya, K; Pandey, P; Shankar, G; Nayak, PK; Rai, G; Chittiboyina, AG; Doerksen, RJ; Vishwakarma, S; Modi, G Design, synthesis and biological evaluation of novel naturally-inspired multifunctional molecules for the management of Alzheimer's disease. Eur J Med Chem 198:0 (2020) [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:
BDBM50564501
Synonyms:
CHEMBL4799941
Type:
Small organic molecule
Emp. Form.:
C20H19N3O4
Mol. Mass.:
365.3826
SMILES:
COc1cc(\C=C\C(=O)NCC(=O)Nc2ccc3[nH]ccc3c2)ccc1O
Structure:
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