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Target
Cholinesterase
Ligand
BDBM50050569
Substrate
n/a
Meas. Tech.
ChEMBL_1458378 (CHEMBL3369808)
IC50
34700±n/a nM
Citation
 Alza, NP; Richmond, V; Baier, CJ; Freire, E; Baggio, R; Murray, AP Synthesis and cholinesterase inhibition of cativic acid derivatives. Bioorg Med Chem 22:3838-49 (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:
BDBM50050569
Synonyms:
CHEMBL3311548
Type:
Small organic molecule
Emp. Form.:
C28H49NO3
Mol. Mass.:
447.6936
SMILES:
[H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCN3CCCCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Structure:
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