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BDBM50131452 CHEMBL92193::Hexadecanoic acid (2S,3R)-2-(3,4-dihydroxy-phenyl)-7,8-dihydroxy-chroman-3-yl ester

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

InChI Key: InChIKey=QXEZDDGFPNELCL-OFSOJUDTSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50131452   
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))
BDBM50131452
PNG
(CHEMBL92193 | Hexadecanoic acid (2S,3R)-2-(3,4-dih...)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C31H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-28(35)37-27-21-23-17-19-25(33)29(36)31(23)38-30(27)22-16-18-24(32)26(34)20-22/h16-20,27,30,32-34,36H,2-15,21H2,1H3/t27-,30+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 9.47E+4n/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)


BindingDB Entry DOI: 10.7270/Q2M61KS0
More data for this
Ligand-Target Pair