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Target
Cholinesterase
Ligand
BDBM50008695
Substrate
n/a
Meas. Tech.
ChEMBL_1335442 (CHEMBL3239160)
IC50
19220±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:
BDBM50008695
Synonyms:
CHEMBL3235958
Type:
Small organic molecule
Emp. Form.:
C60H47N5O4
Mol. Mass.:
902.0463
SMILES:
O=C(C1CC(NC11C(=O)Nc2ccccc12)c1ccccc1)N1C\C(=C/c2cccc3ccccc23)C(=O)C2(C1)C(C(NC21C(=O)Nc2ccccc12)c1ccccc1)c1cccc2ccccc12
Structure:
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