Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50433626
Substrate
n/a
Meas. Tech.
ChEMBL_958766 (CHEMBL2384301)
IC50
15440±n/a nM
Citation
 Kia, Y; Osman, H; Kumar, RS; Murugaiyah, V; Basiri, A; Perumal, S; Razak, IA A facile chemo-, regio- and stereoselective synthesis and cholinesterase inhibitory activity of spirooxindole-pyrrolizine-piperidine hybrids. Bioorg Med Chem Lett 23:2979-83 (2013) [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:
BDBM50433626
Synonyms:
CHEMBL2380668
Type:
Small organic molecule
Emp. Form.:
C34H30ClN3O3
Mol. Mass.:
564.073
SMILES:
Clc1ccc2c(NC(=O)[C@@]22[C@H](C[C@H]3CCCN23)C(=O)N2C\C(=C/c3ccccc3)C(=O)\C(C2)=C\c2ccccc2)c1 |r|
Structure:
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