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Target
Cholinesterase
Ligand
BDBM50406840
Substrate
n/a
Meas. Tech.
ChEMBL_1739233 (CHEMBL4154983)
IC50
>100000±n/a nM
Citation
 Jalili-Baleh, L; Forootanfar, H; Küçükk?l?nç, TT; Nadri, H; Abdolahi, Z; Ameri, A; Jafari, M; Ayazgok, B; Baeeri, M; Rahimifard, M; Abbas Bukhari, SN; Abdollahi, M; Ganjali, MR; Emami, S; Khoobi, M; Foroumadi, A Design, synthesis and evaluation of novel multi-target-directed ligands for treatment of Alzheimer's disease based on coumarin and lipoic acid scaffolds. Eur J Med Chem 152:600-614 (2018) [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:
BDBM50406840
Synonyms:
CHEMBL4160205
Type:
Small organic molecule
Emp. Form.:
C23H28N4O4S2
Mol. Mass.:
488.623
SMILES:
O=C(CCCCC1CCSS1)NCc1cn(CCCOc2ccc3ccc(=O)oc3c2)nn1
Structure:
Search PDB for entries with ligand similarity: