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Compile Data Set for Download or QSAR

Found 1307 hits of ic50 data for polymerid = 50004657,5030,5788   
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))
BDBM50449101
PNG
(CHEMBL3127130)
Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(N)[nH]c(=O)c1C#N
Show InChI InChI=1S/C16H15N5O2/c1-9(2)8-23-13-4-3-10(5-11(13)6-17)14-12(7-18)15(22)21-16(19)20-14/h3-5,9H,8H2,1-2H3,(H3,19,20,21,22)
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n/an/a 0.501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of C-terminally FLAG-tagged human xanthine oxidase (amino acid 1 to 1333) expressed in baculovirus system after 15 ...


Bioorg Med Chem Lett 24: 1315-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.050
BindingDB Entry DOI: 10.7270/Q2V69M3N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50449100
PNG
(CHEMBL3127135)
Show SMILES Nc1nc(-c2ccc(OCC3CCOC3)c(OC(F)(F)F)c2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C17H15F3N4O4/c18-17(19,20)28-13-5-10(14-11(6-21)15(25)24-16(22)23-14)1-2-12(13)27-8-9-3-4-26-7-9/h1-2,5,9H,3-4,7-8H2,(H3,22,23,24,25)
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n/an/a 0.631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of C-terminally FLAG-tagged human xanthine oxidase (amino acid 1 to 1333) expressed in baculovirus system after 15 ...


Bioorg Med Chem Lett 24: 1315-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.050
BindingDB Entry DOI: 10.7270/Q2V69M3N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50449104
PNG
(CHEMBL3127117)
Show SMILES Nc1nc(c(Cl)c(=O)[nH]1)-c1ccc(OCC2CCOC2)c(OC(F)(F)F)c1
Show InChI InChI=1S/C16H15ClF3N3O4/c17-12-13(22-15(21)23-14(12)24)9-1-2-10(11(5-9)27-16(18,19)20)26-7-8-3-4-25-6-8/h1-2,5,8H,3-4,6-7H2,(H3,21,22,23,24)
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of C-terminally FLAG-tagged human xanthine oxidase (amino acid 1 to 1333) expressed in baculovirus system after 15 mins by spectrophotomet...


Bioorg Med Chem Lett 24: 1315-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.050
BindingDB Entry DOI: 10.7270/Q2V69M3N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
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 1.30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of C-terminally FLAG-tagged human xanthine oxidase (amino acid 1 to 1333) expressed in baculovirus system after 15 mins by spectrophotomet...


Bioorg Med Chem Lett 24: 1315-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.050
BindingDB Entry DOI: 10.7270/Q2V69M3N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50449106
PNG
(CHEMBL3127137)
Show SMILES CC(C)COc1ccc(cc1C(F)(F)F)-c1nc(N)[nH]c(=O)c1C#N
Show InChI InChI=1S/C16H15F3N4O2/c1-8(2)7-25-12-4-3-9(5-11(12)16(17,18)19)13-10(6-20)14(24)23-15(21)22-13/h3-5,8H,7H2,1-2H3,(H3,21,22,23,24)
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n/an/a 1.30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of C-terminally FLAG-tagged human xanthine oxidase (amino acid 1 to 1333) expressed in baculovirus system after 15 mins by spectrophotomet...


Bioorg Med Chem Lett 24: 1315-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.050
BindingDB Entry DOI: 10.7270/Q2V69M3N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50449108
PNG
(CHEMBL3127134)
Show SMILES Nc1nc(-c2ccc(OCC3CC3)c(c2)C#N)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C16H13N5O2/c17-6-11-5-10(3-4-13(11)23-8-9-1-2-9)14-12(7-18)15(22)21-16(19)20-14/h3-5,9H,1-2,8H2,(H3,19,20,21,22)
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n/an/a 1.30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of C-terminally FLAG-tagged human xanthine oxidase (amino acid 1 to 1333) expressed in baculovirus system after 15 mins by spectrophotomet...


Bioorg Med Chem Lett 24: 1315-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.050
BindingDB Entry DOI: 10.7270/Q2V69M3N
More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM352052
PNG
(US9802907, Compound 37)
Show SMILES CC(C)Sc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C15H14N2O2SSe/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 1.32n/an/an/an/an/an/a



JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...


US Patent US9802907 (2017)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50449111
PNG
(CHEMBL3127131)
Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(N)[nH]c(=O)c1Cl
Show InChI InChI=1S/C15H15ClN4O2/c1-8(2)7-22-11-4-3-9(5-10(11)6-17)13-12(16)14(21)20-15(18)19-13/h3-5,8H,7H2,1-2H3,(H3,18,19,20,21)
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n/an/a 1.60n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of C-terminally FLAG-tagged human xanthine oxidase (amino acid 1 to 1333) expressed in baculovirus system after 15 mins by spectrophotomet...


Bioorg Med Chem Lett 24: 1315-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.050
BindingDB Entry DOI: 10.7270/Q2V69M3N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50449099
PNG
(CHEMBL3127114)
Show SMILES Nc1nc(c(Cl)c(=O)[nH]1)-c1ccc(OCC2CCOC2)c(c1)C#N
Show InChI InChI=1S/C16H15ClN4O3/c17-13-14(20-16(19)21-15(13)22)10-1-2-12(11(5-10)6-18)24-8-9-3-4-23-7-9/h1-2,5,9H,3-4,7-8H2,(H3,19,20,21,22)
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n/an/a 1.60n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of C-terminally FLAG-tagged human xanthine oxidase (amino acid 1 to 1333) expressed in baculovirus system after 15 ...


Bioorg Med Chem Lett 24: 1315-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.050
BindingDB Entry DOI: 10.7270/Q2V69M3N
More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM352045
PNG
(US9802907, Compound 24)
Show SMILES COc1ccccc1-c1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C19H14N2O3Se/c1-11-17(19(22)23)25-18(21-11)12-7-8-14(13(9-12)10-20)15-5-3-4-6-16(15)24-2/h3-9H,1-2H3,(H,22,23)
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n/an/a 1.67n/an/an/an/an/an/a



JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...


US Patent US9802907 (2017)

More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM352035
PNG
(US9802907, Compound 14 | US9802907, Compound 23 | ...)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(-c2ccccc2)c(c1)C#N
Show InChI InChI=1S/C18H12N2O2Se/c1-11-16(18(21)22)23-17(20-11)13-7-8-15(14(9-13)10-19)12-5-3-2-4-6-12/h2-9H,1H3,(H,21,22)
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n/an/a 1.70n/an/an/an/an/an/a



JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...


US Patent US9802907 (2017)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50107284
PNG
(CHEMBL3600992)
Show SMILES CCOC(=O)C1=Nc2c(O)ccc(-c3cc(=O)c4c(O)cc(O)cc4o3)c2SC1
Show InChI InChI=1S/C20H15NO7S/c1-2-27-20(26)11-8-29-19-10(3-4-12(23)18(19)21-11)15-7-14(25)17-13(24)5-9(22)6-16(17)28-15/h3-7,22-24H,2,8H2,1H3
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n/an/a 1.70n/an/an/an/an/an/a



Osaka City University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate after 10 mins by HPLC method


Bioorg Med Chem Lett 25: 3117-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.016
BindingDB Entry DOI: 10.7270/Q2B56MJB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM158057
PNG
(US9023882, 356)
Show SMILES OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1ccco1
Show InChI InChI=1S/C16H10N2O4/c17-7-10-8-18(9-13(10)15-2-1-5-22-15)11-3-4-12(16(20)21)14(19)6-11/h1-6,8-9,19H,(H,20,21)
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n/an/a 1.70n/an/an/an/an/a25



Kissei Pharmaceutical Co., Ltd.

US Patent


Assay Description
Xanthine oxidase (from bovine milk, Sigma) was prepared with phosphate-buffered saline (PBS) at 0.02 units/mL, and then the solution was added to 96 ...


US Patent US9023882 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CM6
More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
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 2.05n/an/an/an/an/an/a



JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...


US Patent US9802907 (2017)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM121552
PNG
(US8729273, 22)
Show SMILES OC(=O)c1ccnc(c1)-c1ccc2n(CC3CC3)cc(C#N)c2c1
Show InChI InChI=1S/C19H15N3O2/c20-9-15-11-22(10-12-1-2-12)18-4-3-13(7-16(15)18)17-8-14(19(23)24)5-6-21-17/h3-8,11-12H,1-2,10H2,(H,23,24)
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n/an/a 2.10n/an/an/an/an/an/a



LG Life Sciences Ltd.

US Patent


Assay Description
Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...


US Patent US8729273 (2014)


BindingDB Entry DOI: 10.7270/Q2D79937
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM157887
PNG
(US9023882, 160)
Show SMILES OC(=O)COc1ccc(cc1)-c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H14N2O5/c21-9-15-10-22(16-5-1-14(2-6-16)20(25)26)11-18(15)13-3-7-17(8-4-13)27-12-19(23)24/h1-8,10-11H,12H2,(H,23,24)(H,25,26)
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n/an/a 2.10n/an/an/an/an/a25



Kissei Pharmaceutical Co., Ltd.

US Patent


Assay Description
Xanthine oxidase (from bovine milk, Sigma) was prepared with phosphate-buffered saline (PBS) at 0.02 units/mL, and then the solution was added to 96 ...


US Patent US9023882 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CM6
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM157874
PNG
(US9023882, 147)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1cccc(O)c1
Show InChI InChI=1S/C18H12N2O3/c19-9-14-10-20(15-6-4-12(5-7-15)18(22)23)11-17(14)13-2-1-3-16(21)8-13/h1-8,10-11,21H,(H,22,23)
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n/an/a 2.10n/an/an/an/an/a25



Kissei Pharmaceutical Co., Ltd.

US Patent


Assay Description
Xanthine oxidase (from bovine milk, Sigma) was prepared with phosphate-buffered saline (PBS) at 0.02 units/mL, and then the solution was added to 96 ...


US Patent US9023882 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CM6
More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM352071
PNG
(US9802907, Compound 81)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(SC(C)(C)C)c(c1)C#N
Show InChI InChI=1S/C16H16N2O2SSe/c1-9-13(15(19)20)22-14(18-9)10-5-6-12(11(7-10)8-17)21-16(2,3)4/h5-7H,1-4H3,(H,19,20)
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n/an/a 2.29n/an/an/an/an/an/a



JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...


US Patent US9802907 (2017)

More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
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 2.29n/an/an/an/an/an/a



JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...


US Patent US9802907 (2017)

More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM352059
PNG
(US9802907, Compound 44)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(N2CCOCC2)c(c1)C#N
Show InChI InChI=1S/C16H15N3O3Se/c1-10-14(16(20)21)23-15(18-10)11-2-3-13(12(8-11)9-17)19-4-6-22-7-5-19/h2-3,8H,4-7H2,1H3,(H,20,21)
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n/an/a 2.30n/an/an/an/an/an/a



JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...


US Patent US9802907 (2017)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM157944
PNG
(US9023882, 233)
Show SMILES CC(C)COc1cn(cc1C#N)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C16H16N2O3/c1-11(2)10-21-15-9-18(8-13(15)7-17)14-5-3-12(4-6-14)16(19)20/h3-6,8-9,11H,10H2,1-2H3,(H,19,20)
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n/an/a 2.30n/an/an/an/an/a25



Kissei Pharmaceutical Co., Ltd.

US Patent


Assay Description
Xanthine oxidase (from bovine milk, Sigma) was prepared with phosphate-buffered saline (PBS) at 0.02 units/mL, and then the solution was added to 96 ...


US Patent US9023882 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CM6
More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM352035
PNG
(US9802907, Compound 14 | US9802907, Compound 23 | ...)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(-c2ccccc2)c(c1)C#N
Show InChI InChI=1S/C18H12N2O2Se/c1-11-16(18(21)22)23-17(20-11)13-7-8-15(14(9-13)10-19)12-5-3-2-4-6-12/h2-9H,1H3,(H,21,22)
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n/an/a 2.37n/an/an/an/an/an/a



JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...


US Patent US9802907 (2017)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM158072
PNG
(US9023882, 371)
Show SMILES OC(=O)c1ccc(nc1)-n1cc(C#N)c(c1)-c1ccccc1
Show InChI InChI=1S/C17H11N3O2/c18-8-14-10-20(11-15(14)12-4-2-1-3-5-12)16-7-6-13(9-19-16)17(21)22/h1-7,9-11H,(H,21,22)
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n/an/a 2.40n/an/an/an/an/a25



Kissei Pharmaceutical Co., Ltd.

US Patent


Assay Description
Xanthine oxidase (from bovine milk, Sigma) was prepared with phosphate-buffered saline (PBS) at 0.02 units/mL, and then the solution was added to 96 ...


US Patent US9023882 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CM6
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM157880
PNG
(US9023882, 153)
Show SMILES OCCOc1cccc(c1)-c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H16N2O4/c21-11-16-12-22(17-6-4-14(5-7-17)20(24)25)13-19(16)15-2-1-3-18(10-15)26-9-8-23/h1-7,10,12-13,23H,8-9H2,(H,24,25)
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n/an/a 2.40n/an/an/an/an/a25



Kissei Pharmaceutical Co., Ltd.

US Patent


Assay Description
Xanthine oxidase (from bovine milk, Sigma) was prepared with phosphate-buffered saline (PBS) at 0.02 units/mL, and then the solution was added to 96 ...


US Patent US9023882 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CM6
More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
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 2.40n/an/an/an/an/an/a



JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...


US Patent US9802907 (2017)

More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM352072
PNG
(US9802907, Compound 83)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(SC2CCCCC2)c(c1)C#N
Show InChI InChI=1S/C18H18N2O2SSe/c1-11-16(18(21)22)24-17(20-11)12-7-8-15(13(9-12)10-19)23-14-5-3-2-4-6-14/h7-9,14H,2-6H2,1H3,(H,21,22)
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n/an/a 2.43n/an/an/an/an/an/a



JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...


US Patent US9802907 (2017)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM157875
PNG
(US9023882, 148)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1ccc(O)cc1
Show InChI InChI=1S/C18H12N2O3/c19-9-14-10-20(15-5-1-13(2-6-15)18(22)23)11-17(14)12-3-7-16(21)8-4-12/h1-8,10-11,21H,(H,22,23)
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n/an/a 2.5n/an/an/an/an/a25



Kissei Pharmaceutical Co., Ltd.

US Patent


Assay Description
Xanthine oxidase (from bovine milk, Sigma) was prepared with phosphate-buffered saline (PBS) at 0.02 units/mL, and then the solution was added to 96 ...


US Patent US9023882 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CM6
More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM352062
PNG
(US9802907, Compound 47)
Show SMILES CN(C)c1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C14H13N3O2Se/c1-8-12(14(18)19)20-13(16-8)9-4-5-11(17(2)3)10(6-9)7-15/h4-6H,1-3H3,(H,18,19)
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n/an/a 2.52n/an/an/an/an/an/a



JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...


US Patent US9802907 (2017)

More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM352048
PNG
(US9802907, Compound 27)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(-c2ccncc2)c(c1)C#N
Show InChI InChI=1S/C17H11N3O2Se/c1-10-15(17(21)22)23-16(20-10)12-2-3-14(13(8-12)9-18)11-4-6-19-7-5-11/h2-8H,1H3,(H,21,22)
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n/an/a 2.53n/an/an/an/an/an/a



JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...


US Patent US9802907 (2017)

More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM352053
PNG
(US9802907, Compound 38)
Show SMILES CC(C)CSc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C16H16N2O2SSe/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 2.56n/an/an/an/an/an/a



JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...


US Patent US9802907 (2017)

More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM352042
PNG
(US9802907, Compound 21)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(-c2ccc(Cl)cc2)c(c1)C#N
Show InChI InChI=1S/C18H11ClN2O2Se/c1-10-16(18(22)23)24-17(21-10)12-4-7-15(13(8-12)9-20)11-2-5-14(19)6-3-11/h2-8H,1H3,(H,22,23)
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n/an/a 2.61n/an/an/an/an/an/a



JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...


US Patent US9802907 (2017)

More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM352035
PNG
(US9802907, Compound 14 | US9802907, Compound 23 | ...)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(-c2ccccc2)c(c1)C#N
Show InChI InChI=1S/C18H12N2O2Se/c1-11-16(18(21)22)23-17(20-11)13-7-8-15(14(9-13)10-19)12-5-3-2-4-6-12/h2-9H,1H3,(H,21,22)
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n/an/a 2.63n/an/an/an/an/an/a



JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...


US Patent US9802907 (2017)

More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM352049
PNG
(US9802907, Compound 28)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(-c2cccnc2)c(c1)C#N
Show InChI InChI=1S/C17H11N3O2Se/c1-10-15(17(21)22)23-16(20-10)11-4-5-14(13(7-11)8-18)12-3-2-6-19-9-12/h2-7,9H,1H3,(H,21,22)
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n/an/a 2.67n/an/an/an/an/an/a



JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...


US Patent US9802907 (2017)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM157886
PNG
(US9023882, 159)
Show SMILES OC(=O)COc1cccc(c1)-c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H14N2O5/c21-9-15-10-22(16-6-4-13(5-7-16)20(25)26)11-18(15)14-2-1-3-17(8-14)27-12-19(23)24/h1-8,10-11H,12H2,(H,23,24)(H,25,26)
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n/an/a 2.70n/an/an/an/an/a25



Kissei Pharmaceutical Co., Ltd.

US Patent


Assay Description
Xanthine oxidase (from bovine milk, Sigma) was prepared with phosphate-buffered saline (PBS) at 0.02 units/mL, and then the solution was added to 96 ...


US Patent US9023882 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CM6
More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM352039
PNG
(US9802907, Compound 18)
Show SMILES COc1ccc(cc1)-c1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C19H14N2O3Se/c1-11-17(19(22)23)25-18(21-11)13-5-8-16(14(9-13)10-20)12-3-6-15(24-2)7-4-12/h3-9H,1-2H3,(H,22,23)
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n/an/a 2.70n/an/an/an/an/an/a



JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...


US Patent US9802907 (2017)

More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM352047
PNG
(US9802907, Compound 26)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(c(c1)C#N)-c1cccc2ccccc12
Show InChI InChI=1S/C22H14N2O2Se/c1-13-20(22(25)26)27-21(24-13)15-9-10-18(16(11-15)12-23)19-8-4-6-14-5-2-3-7-17(14)19/h2-11H,1H3,(H,25,26)
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n/an/a 2.78n/an/an/an/an/an/a



JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...


US Patent US9802907 (2017)

More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM352074
PNG
(US9802907, Febuxostat)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O
Show InChI InChI=1S/C15H14N2O3S/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 2.78n/an/an/an/an/an/a



JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...


US Patent US9802907 (2017)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM157954
PNG
(US9023882, 245)
Show SMILES CCCCCc1cn(cc1C#N)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C17H18N2O2/c1-2-3-4-5-14-11-19(12-15(14)10-18)16-8-6-13(7-9-16)17(20)21/h6-9,11-12H,2-5H2,1H3,(H,20,21)
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n/an/a 2.80n/an/an/an/an/a25



Kissei Pharmaceutical Co., Ltd.

US Patent


Assay Description
Xanthine oxidase (from bovine milk, Sigma) was prepared with phosphate-buffered saline (PBS) at 0.02 units/mL, and then the solution was added to 96 ...


US Patent US9023882 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CM6
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM121532
PNG
(US8729273, 2)
Show SMILES OC(=O)c1cnn(c1)-c1ccc2n(CC3CC3)cc(C#N)c2c1
Show InChI InChI=1S/C17H14N4O2/c18-6-12-9-20(8-11-1-2-11)16-4-3-14(5-15(12)16)21-10-13(7-19-21)17(22)23/h3-5,7,9-11H,1-2,8H2,(H,22,23)
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n/an/a 2.80n/an/an/an/an/an/a



LG Life Sciences Ltd.

US Patent


Assay Description
Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...


US Patent US8729273 (2014)


BindingDB Entry DOI: 10.7270/Q2D79937
More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM352067
PNG
(US9802907, Compound 68)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(-c2ccc(cc2)C(F)(F)F)c(c1)C#N
Show InChI InChI=1S/C19H11F3N2O2Se/c1-10-16(18(25)26)27-17(24-10)12-4-7-15(13(8-12)9-23)11-2-5-14(6-3-11)19(20,21)22/h2-8H,1H3,(H,25,26)
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n/an/a 2.84n/an/an/an/an/an/a



JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...


US Patent US9802907 (2017)

More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
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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n/an/a 2.85n/an/an/an/an/an/a



JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...


US Patent US9802907 (2017)

More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
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 2.97n/an/an/an/an/an/a



JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...


US Patent US9802907 (2017)

More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM352037
PNG
(US9802907, Compound 16)
Show SMILES COc1ccc(cc1F)-c1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C19H13FN2O3Se/c1-10-17(19(23)24)26-18(22-10)12-3-5-14(13(7-12)9-21)11-4-6-16(25-2)15(20)8-11/h3-8H,1-2H3,(H,23,24)
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n/an/a 2.99n/an/an/an/an/an/a



JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...


US Patent US9802907 (2017)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50127486
PNG
(CHEMBL3628190)
Show SMILES CCCCOc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
Show InChI InChI=1S/C16H17N3O4/c1-3-4-7-23-13-6-5-11(8-12(13)9-17)15-18-10(2)14(16(20)21)19(15)22/h5-6,8,22H,3-4,7H2,1-2H3,(H,20,21)
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n/an/a 3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis


Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50127441
PNG
(CHEMBL3628191)
Show SMILES CCC(C)Oc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
Show InChI InChI=1S/C16H17N3O4/c1-4-9(2)23-13-6-5-11(7-12(13)8-17)15-18-10(3)14(16(20)21)19(15)22/h5-7,9,22H,4H2,1-3H3,(H,20,21)
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n/an/a 3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis


Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(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 3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase by spectrophotometry


Eur J Med Chem 45: 2663-70 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.013
BindingDB Entry DOI: 10.7270/Q2R211KJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Xanthine oxidase


(Homo sapiens (Human))
BDBM352064
PNG
(US9802907, Compound 55)
Show SMILES CC(C)COc1ccc(cc1C(F)(F)F)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C16H16F3NO3Se/c1-8(2)7-23-12-5-4-10(6-11(12)16(17,18)19)14-20-9(3)13(24-14)15(21)22/h4-6,8H,7H2,1-3H3,(H,21,22)
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n/an/a 3.06n/an/an/an/an/an/a



JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...


US Patent US9802907 (2017)

More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM352057
PNG
(US9802907, Compound 42)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(SCc2ccccc2)c(c1)C#N
Show InChI InChI=1S/C19H14N2O2SSe/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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n/an/a 3.07n/an/an/an/an/an/a



JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...


US Patent US9802907 (2017)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM157970
PNG
(US9023882, 262)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C#N)c(NC(=O)c2ccccc2)n1
Show InChI InChI=1S/C18H12N4O3/c19-10-14-11-22(15-8-6-13(7-9-15)18(24)25)21-16(14)20-17(23)12-4-2-1-3-5-12/h1-9,11H,(H,24,25)(H,20,21,23)
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n/an/a 3.10n/an/an/an/an/a25



Kissei Pharmaceutical Co., Ltd.

US Patent


Assay Description
Xanthine oxidase (from bovine milk, Sigma) was prepared with phosphate-buffered saline (PBS) at 0.02 units/mL, and then the solution was added to 96 ...


US Patent US9023882 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CM6
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM158054
PNG
(US9023882, 352)
Show SMILES CC(C)(C)c1nn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C15H15N3O3/c1-15(2,3)13-9(7-16)8-18(17-13)10-4-5-11(14(20)21)12(19)6-10/h4-6,8,19H,1-3H3,(H,20,21)
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n/an/a 3.20n/an/an/an/an/a25



Kissei Pharmaceutical Co., Ltd.

US Patent


Assay Description
Xanthine oxidase (from bovine milk, Sigma) was prepared with phosphate-buffered saline (PBS) at 0.02 units/mL, and then the solution was added to 96 ...


US Patent US9023882 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CM6
More data for this
Ligand-Target Pair
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