Reaction Details  Report a problem with these data
Target
Cholinesterase
Ligand
BDBM22844
Substrate
n/a
Meas. Tech.
ChEMBL_2238742 (CHEMBL5152638)
IC50
>125000±n/a nM
Citation
 Reiland, KM; Eckroat, TJ Selective butyrylcholinesterase inhibition by isatin dimers and 3-indolyl-3-hydroxy-2-oxindole dimers. Bioorg Med Chem Lett 77:0 (2022) [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:
BDBM22844
Synonyms:
1-[2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)ethyl]-2,3-dihydro-1H-indole-2,3-dione | Isatin-based compound, 64
Type:
Small organic molecule
Emp. Form.:
C18H12N2O4
Mol. Mass.:
320.2989
SMILES:
O=C1N(CCN2C(=O)C(=O)c3ccccc23)c2ccccc2C1=O
Structure:
Search PDB for entries with ligand similarity: