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BDBM50131446 CHEMBL419512::Tetradecanoic acid (2S,3R)-2-(3,4-dihydroxy-phenyl)-7,8-dihydroxy-chroman-3-yl ester

SMILES: CCCCCCCCCCCCCC(=O)O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1

InChI Key: InChIKey=OMOLPMGUQYYINZ-NAKRPHOHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50131446   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50131446
PNG
(CHEMBL419512 | Tetradecanoic acid (2S,3R)-2-(3,4-d...)
Show SMILES CCCCCCCCCCCCCC(=O)O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C29H40O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-26(33)35-25-19-21-15-17-23(31)27(34)29(21)36-28(25)20-14-16-22(30)24(32)18-20/h14-18,25,28,30-32,34H,2-13,19H2,1H3/t25-,28+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.02E+5n/an/an/an/an/an/a



Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of Xanthine oxidase


Bioorg Med Chem Lett 13: 2777-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00494-3
BindingDB Entry DOI: 10.7270/Q2M61KS0
More data for this
Ligand-Target Pair