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PubMed code 26712096

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50135279
PNG
(CHEMBL3747521)
Show SMILES Nc1nc2c(c[nH]c2c(=O)[nH]1)C(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H9N5O4/c14-13-16-9-8(5-15-10(9)12(20)17-13)11(19)6-2-1-3-7(4-6)18(21)22/h1-5,15H,(H3,14,16,17,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
55n/an/an/an/an/an/an/an/a



Universidade Estadual de Campinas

Curated by ChEMBL


Assay Description
Non-competitive inhibition of xanthine oxidase (unknown origin) by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 226-31 (2016)


Article DOI: 10.1016/j.bmc.2015.12.006
BindingDB Entry DOI: 10.7270/Q2HX1FGM
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50016784
PNG
(ALLOPURINOL | BW-56-158 | BW-56158 | CHEBI:40279 |...)
Show SMILES O=c1ncnc2[nH][nH]cc12
Show InChI InChI=1S/C5H2N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Similars

DrugBank
Article
PubMed
1.55E+3n/an/an/an/an/an/an/an/a



Universidade Estadual de Campinas

Curated by ChEMBL


Assay Description
Non-competitive inhibition of xanthine oxidase (unknown origin) by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 226-31 (2016)


Article DOI: 10.1016/j.bmc.2015.12.006
BindingDB Entry DOI: 10.7270/Q2HX1FGM
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50135279
PNG
(CHEMBL3747521)
Show SMILES Nc1nc2c(c[nH]c2c(=O)[nH]1)C(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H9N5O4/c14-13-16-9-8(5-15-10(9)12(20)17-13)11(19)6-2-1-3-7(4-6)18(21)22/h1-5,15H,(H3,14,16,17,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Universidade Estadual de Campinas

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using immobilized capillary enzyme reactor by on-flow bidimensional liquid chromatography


Bioorg Med Chem 24: 226-31 (2016)


Article DOI: 10.1016/j.bmc.2015.12.006
BindingDB Entry DOI: 10.7270/Q2HX1FGM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%