Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50574799
Substrate
n/a
Meas. Tech.
ChEMBL_2123408 (CHEMBL4832641)
IC50
5.3±n/a nM
Citation
 Jiang, X; Zhang, Z; Zuo, J; Wu, C; Zha, L; Xu, Y; Wang, S; Shi, J; Liu, XH; Zhang, J; Tang, W Novel cannabidiol-carbamate hybrids as selective BuChE inhibitors: Docking-based fragment reassembly for the development of potential therapeutic agents against Alzheimer's disease. Eur J Med Chem 223:0 (2021) [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:
BDBM50574799
Synonyms:
CHEMBL4870785
Type:
Small organic molecule
Emp. Form.:
C30H38ClNO3
Mol. Mass.:
496.081
SMILES:
CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(OC(=O)N(C)Cc2ccc(Cl)cc2)c1 |r,t:11|
Structure:
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