Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50435595
Substrate
n/a
Meas. Tech.
ChEMBL_964212 (CHEMBL2395025)
IC50
>100000±n/a nM
Citation
 Razavi, SF; Khoobi, M; Nadri, H; Sakhteman, A; Moradi, A; Emami, S; Foroumadi, A; Shafiee, A Synthesis and evaluation of 4-substituted coumarins as novel acetylcholinesterase inhibitors. Eur J Med Chem 64:252-9 (2013) [PubMed]  Article 
Target
Name:
Cholinesterase
Synonyms:
Cholinesterase | CHLE_HORSE | BCHE | Butyrylcholinesterase (BuChE)
Type:
Enzyme
Mol. Mass.:
65643.35
Organism:
Horse
Description:
P81908
Residue:
574
Sequence:
EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
  
Inhibitor
Name:
BDBM50435595
Synonyms:
CHEMBL2393503
Type:
Small organic molecule
Emp. Form.:
C23H24N2O4
Mol. Mass.:
392.45
SMILES:
O=C(CCCOc1cc(=O)oc2ccccc12)N1CCN(CC1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: