Reaction Details Report a problem with these data
Target
Carboxylic ester hydrolase
Ligand
BDBM50325671
Substrate
n/a
Meas. Tech.
ChEMBL_811773 (CHEMBL2014394)
IC50
1124400±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:
BDBM50325671
Synonyms:
(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE | (S)-2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-chroman-4-one | (S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one | (S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-4-one | 5,7,3',4'-tetrahydroxyflavanone | 5,7,3',4'-tetrahydroxyflavon | CHEMBL8996 | ERIODICTYOL | eriodicryol | eryodictiol | hsp90_170
Type:
Small organic molecule
Emp. Form.:
C15H12O6
Mol. Mass.:
288.2522
SMILES:
Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|
Structure:
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