Reaction Details  Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50443522
Substrate
n/a
Meas. Tech.
ChEMBL_1275227 (CHEMBL3091199)
IC50
27000±n/a nM
Citation
 Asadipour, A; Alipour, M; Jafari, M; Khoobi, M; Emami, S; Nadri, H; Sakhteman, A; Moradi, A; Sheibani, V; Homayouni Moghadam, F; Shafiee, A; Foroumadi, A Novel coumarin-3-carboxamides bearing N-benzylpiperidine moiety as potent acetylcholinesterase inhibitors. Eur J Med Chem 70:623-30 (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:
BDBM50443522
Synonyms:
CHEMBL3087907
Type:
Small organic molecule
Emp. Form.:
C23H24N2O4
Mol. Mass.:
392.4477
SMILES:
COc1ccc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)oc2c1
Structure:
Search PDB for entries with ligand similarity: