Reaction Details  Report a problem with these data
Target
Carboxylic ester hydrolase
Ligand
BDBM50380200
Substrate
n/a
Meas. Tech.
ChEMBL_811773 (CHEMBL2014394)
IC50
11200±n/a nM
Citation
 Cho, JK; Ryu, YB; Curtis-Long, MJ; Ryu, HW; Yuk, HJ; Kim, DW; Kim, HJ; Lee, WS; Park, KH Cholinestrase inhibitory effects of geranylated flavonoids from Paulownia tomentosa fruits. Bioorg Med Chem 20:2595-602 (2012) [PubMed]  Article
Target
Name:
Carboxylic ester hydrolase
Synonyms:
BuChE | Butyrlcholinesterase (BuChE) | Butyrylcholine esterase | Butyrylcholinesterase | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | Butyrylcholinesterase (EqBuChE) | Carboxylic ester hydrolase | butyrylcholinesterase precursor
Type:
Protein
Mol. Mass.:
68842.83
Organism:
Equus caballus (Horse)
Description:
Q9N1N9
Residue:
602
Sequence:
MQSWGTIICIRILLRFLLLWVLIGNSHTEEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTKKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTKAEEILSRSIMKRWANFAKYGNPNGTQSNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
  
Inhibitor
Name:
BDBM50380200
Synonyms:
CHEMBL459258
Type:
Small organic molecule
Emp. Form.:
C26H30O7
Mol. Mass.:
454.5122
SMILES:
[#6]-[#8]-c1cc(ccc1-[#8])-[#6@H]-1-[#8]-c2cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2-[#6](=O)-[#6@@H]-1-[#8] |r|
Structure:
Search PDB for entries with ligand similarity: