Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50008677
Substrate
n/a
Meas. Tech.
ChEMBL_1335442 (CHEMBL3239160)
IC50
29070±n/a nM
Citation
 Kia, Y; Osman, H; Suresh Kumar, R; Basiri, A; Murugaiyah, V Synthesis and discovery of highly functionalized mono- and bis-spiro-pyrrolidines as potent cholinesterase enzyme inhibitors. Bioorg Med Chem Lett 24:1815-9 (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:
BDBM50008677
Synonyms:
CHEMBL3235949
Type:
Small organic molecule
Emp. Form.:
C54H47N5O4
Mol. Mass.:
829.9821
SMILES:
Cc1ccccc1\C=C1/CN(CC2(C(C(NC22C(=O)Nc3ccccc23)c2ccccc2)c2ccccc2C)C1=O)C(=O)C1CC(NC11C(=O)Nc2ccccc12)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: