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PubMed code 25113879

Compile data set for download or QSAR
Found 22 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


(Bos taurus (Bovine))		BDBM50057015
PNG
(CHEMBL3331617)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(OCC=C)c(c1)C#N
Show InChI InChI=1S/C15H12N2O3Se/c1-3-6-20-12-5-4-10(7-11(12)8-16)14-17-9(2)13(21-14)15(18)19/h3-5,7H,1,6H2,2H3,(H,18,19)
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 0.900n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation by Lineweaver-Burk plot

Eur J Med Chem 85: 508-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.014
BindingDB Entry DOI: 10.7270/Q2HX1F9C
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50057015
PNG
(CHEMBL3331617)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(OCC=C)c(c1)C#N
Show InChI InChI=1S/C15H12N2O3Se/c1-3-6-20-12-5-4-10(7-11(12)8-16)14-17-9(2)13(21-14)15(18)19/h3-5,7H,1,6H2,2H3,(H,18,19)
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 2.30n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation by secondary Lineweaver-Burk plot

Eur J Med Chem 85: 508-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.014
BindingDB Entry DOI: 10.7270/Q2HX1F9C
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50057015
PNG
(CHEMBL3331617)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(OCC=C)c(c1)C#N
Show InChI InChI=1S/C15H12N2O3Se/c1-3-6-20-12-5-4-10(7-11(12)8-16)14-17-9(2)13(21-14)15(18)19/h3-5,7H,1,6H2,2H3,(H,18,19)
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n/an/a 5.5n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation after 30 mins by spectrophotometry

Eur J Med Chem 85: 508-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.014
BindingDB Entry DOI: 10.7270/Q2HX1F9C
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50057017
PNG
(CHEMBL3331615 | US9802907, Compound 7)
Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C16H16N2O3Se/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)
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n/an/a 9.10n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation after 30 mins by spectrophotometry

Eur J Med Chem 85: 508-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.014
BindingDB Entry DOI: 10.7270/Q2HX1F9C
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50056989
PNG
(CHEMBL3331623)
Show SMILES CCC(C)Oc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C16H16N2O3Se/c1-4-9(2)21-13-6-5-11(7-12(13)8-17)15-18-10(3)14(22-15)16(19)20/h5-7,9H,4H2,1-3H3,(H,19,20)
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n/an/a 10n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation after 30 mins by spectrophotometry

Eur J Med Chem 85: 508-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.014
BindingDB Entry DOI: 10.7270/Q2HX1F9C
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50056990
PNG
(CHEMBL3331622 | US9802907, Compound 12)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(OCC2CC2)c(c1)C#N
Show InChI InChI=1S/C16H14N2O3Se/c1-9-14(16(19)20)22-15(18-9)11-4-5-13(12(6-11)7-17)21-8-10-2-3-10/h4-6,10H,2-3,8H2,1H3,(H,19,20)
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n/an/a 13n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation after 30 mins by spectrophotometry

Eur J Med Chem 85: 508-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.014
BindingDB Entry DOI: 10.7270/Q2HX1F9C
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50057018
PNG
(CHEMBL3331614)
Show SMILES CCCCOc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C16H16N2O3Se/c1-3-4-7-21-13-6-5-11(8-12(13)9-17)15-18-10(2)14(22-15)16(19)20/h5-6,8H,3-4,7H2,1-2H3,(H,19,20)
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n/an/a 13n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation after 30 mins by spectrophotometry

Eur J Med Chem 85: 508-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.014
BindingDB Entry DOI: 10.7270/Q2HX1F9C
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50056992
PNG
(CHEMBL3331620)
Show SMILES CCCOc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C15H14N2O3Se/c1-3-6-20-12-5-4-10(7-11(12)8-16)14-17-9(2)13(21-14)15(18)19/h4-5,7H,3,6H2,1-2H3,(H,18,19)
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n/an/a 16n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation after 30 mins by spectrophotometry

Eur J Med Chem 85: 508-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.014
BindingDB Entry DOI: 10.7270/Q2HX1F9C
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50056991
PNG
(CHEMBL3331621 | US9802907, Compound 8)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C15H14N2O3Se/c1-8(2)20-12-5-4-10(6-11(12)7-16)14-17-9(3)13(21-14)15(18)19/h4-6,8H,1-3H3,(H,18,19)
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n/an/a 16n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation after 30 mins by spectrophotometry

Eur J Med Chem 85: 508-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.014
BindingDB Entry DOI: 10.7270/Q2HX1F9C
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50057021
PNG
(CHEMBL3331611)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(OCC=C)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N2O5Se/c1-3-6-21-11-5-4-9(7-10(11)16(19)20)13-15-8(2)12(22-13)14(17)18/h3-5,7H,1,6H2,2H3,(H,17,18)
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n/an/a 16n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation after 30 mins by spectrophotometry

Eur J Med Chem 85: 508-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.014
BindingDB Entry DOI: 10.7270/Q2HX1F9C
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50320491
PNG
(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O
Show InChI InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)
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n/an/a 19n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation after 30 mins by spectrophotometry

Eur J Med Chem 85: 508-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.014
BindingDB Entry DOI: 10.7270/Q2HX1F9C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50057019
PNG
(CHEMBL3331613 | US9802907, Compound 6)
Show SMILES CCOc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C14H12N2O3Se/c1-3-19-11-5-4-9(6-10(11)7-15)13-16-8(2)12(20-13)14(17)18/h4-6H,3H2,1-2H3,(H,17,18)
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n/an/a 25n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation after 30 mins by spectrophotometry

Eur J Med Chem 85: 508-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.014
BindingDB Entry DOI: 10.7270/Q2HX1F9C
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50057016
PNG
(CHEMBL3331616 | US9802907, Compound 9)
Show SMILES CC(C)CCOc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C17H18N2O3Se/c1-10(2)6-7-22-14-5-4-12(8-13(14)9-18)16-19-11(3)15(23-16)17(20)21/h4-5,8,10H,6-7H2,1-3H3,(H,20,21)
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n/an/a 29n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation after 30 mins by spectrophotometry

Eur J Med Chem 85: 508-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.014
BindingDB Entry DOI: 10.7270/Q2HX1F9C
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50056993
PNG
(CHEMBL3331619)
Show SMILES COc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C13H10N2O3Se/c1-7-11(13(16)17)19-12(15-7)8-3-4-10(18-2)9(5-8)6-14/h3-5H,1-2H3,(H,16,17)
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n/an/a 31n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation after 30 mins by spectrophotometry

Eur J Med Chem 85: 508-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.014
BindingDB Entry DOI: 10.7270/Q2HX1F9C
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50057023
PNG
(CHEMBL3331610)
Show SMILES CC(C)COc1ccc(cc1[N+]([O-])=O)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C15H16N2O5Se/c1-8(2)7-22-12-5-4-10(6-11(12)17(20)21)14-16-9(3)13(23-14)15(18)19/h4-6,8H,7H2,1-3H3,(H,18,19)
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n/an/a 34n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation after 30 mins by spectrophotometry

Eur J Med Chem 85: 508-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.014
BindingDB Entry DOI: 10.7270/Q2HX1F9C
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50057013
PNG
(CHEMBL3331618 | US9802907, Compound 11)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(OCc2ccccc2)c(c1)C#N
Show InChI InChI=1S/C19H14N2O3Se/c1-12-17(19(22)23)25-18(21-12)14-7-8-16(15(9-14)10-20)24-11-13-5-3-2-4-6-13/h2-9H,11H2,1H3,(H,22,23)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation after 30 mins by spectrophotometry

Eur J Med Chem 85: 508-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.014
BindingDB Entry DOI: 10.7270/Q2HX1F9C
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50057020
PNG
(CHEMBL3331612)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(OCc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C18H14N2O5Se/c1-11-16(18(21)22)26-17(19-11)13-7-8-15(14(9-13)20(23)24)25-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,21,22)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation after 30 mins by spectrophotometry

Eur J Med Chem 85: 508-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.014
BindingDB Entry DOI: 10.7270/Q2HX1F9C
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50056988
PNG
(CHEMBL3331624)
Show SMILES CCCCCOc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C17H18N2O3Se/c1-3-4-5-8-22-14-7-6-12(9-13(14)10-18)16-19-11(2)15(23-16)17(20)21/h6-7,9H,3-5,8H2,1-2H3,(H,20,21)
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n/an/a 46n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation after 30 mins by spectrophotometry

Eur J Med Chem 85: 508-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.014
BindingDB Entry DOI: 10.7270/Q2HX1F9C
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50057024
PNG
(CHEMBL3331609)
Show SMILES CCCCOc1ccc(cc1[N+]([O-])=O)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C15H16N2O5Se/c1-3-4-7-22-12-6-5-10(8-11(12)17(20)21)14-16-9(2)13(23-14)15(18)19/h5-6,8H,3-4,7H2,1-2H3,(H,18,19)
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n/an/a 49n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation after 30 mins by spectrophotometry

Eur J Med Chem 85: 508-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.014
BindingDB Entry DOI: 10.7270/Q2HX1F9C
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50056987
PNG
(CHEMBL3331625)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(OCC#C)c(c1)C#N
Show InChI InChI=1S/C15H10N2O3Se/c1-3-6-20-12-5-4-10(7-11(12)8-16)14-17-9(2)13(21-14)15(18)19/h1,4-5,7H,6H2,2H3,(H,18,19)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation after 30 mins by spectrophotometry

Eur J Med Chem 85: 508-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.014
BindingDB Entry DOI: 10.7270/Q2HX1F9C
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50057022
PNG
(CHEMBL3331607)
Show SMILES CC(C)CCOc1ccc(cc1[N+]([O-])=O)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C16H18N2O5Se/c1-9(2)6-7-23-13-5-4-11(8-12(13)18(21)22)15-17-10(3)14(24-15)16(19)20/h4-5,8-9H,6-7H2,1-3H3,(H,19,20)
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Article
PubMed
n/an/a 66n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation after 30 mins by spectrophotometry

Eur J Med Chem 85: 508-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.014
BindingDB Entry DOI: 10.7270/Q2HX1F9C
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50057025
PNG
(CHEMBL3331608)
Show SMILES CCOc1ccc(cc1[N+]([O-])=O)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C13H12N2O5Se/c1-3-20-10-5-4-8(6-9(10)15(18)19)12-14-7(2)11(21-12)13(16)17/h4-6H,3H2,1-2H3,(H,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 83n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation after 30 mins by spectrophotometry

Eur J Med Chem 85: 508-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.014
BindingDB Entry DOI: 10.7270/Q2HX1F9C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%