Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50430679
Substrate
n/a
Meas. Tech.
ChEMBL_942092 (CHEMBL2340790)
IC50
11790±n/a nM
Citation
 Kia, Y; Osman, H; Kumar, RS; Murugaiyah, V; Basiri, A; Perumal, S; Wahab, HA; Bing, CS Synthesis and discovery of novel piperidone-grafted mono- and bis-spirooxindole-hexahydropyrrolizines as potent cholinesterase inhibitors. Bioorg Med Chem 21:1696-707 (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:
BDBM50430679
Synonyms:
CHEMBL2332545
Type:
Small organic molecule
Emp. Form.:
C43H37N3O3
Mol. Mass.:
643.7722
SMILES:
O=C(C[C@H]1C[C@H]2CCCN2[C@]11C(=O)Nc2ccccc12)N1C\C(=C/c2cccc3ccccc23)C(=O)\C(C1)=C\c1cccc2ccccc12 |r|
Structure:
Search PDB for entries with ligand similarity: