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Compile Data Set for Download or QSAR

Found 1268 hits of ic50 for UniProtKB: P80457   
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


(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 dehydrogenase/oxidase


(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/oxidase


(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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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/oxidase


(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/oxidase


(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 dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50098066
PNG
(1-(3-Cyano-4-hydroxy-phenyl)-1H-pyrazole-4-carboxy...)
Show SMILES OC(=O)c1cnn(c1)-c1ccc(O)c(c1)C#N
Show InChI InChI=1S/C11H7N3O3/c12-4-7-3-9(1-2-10(7)15)14-6-8(5-13-14)11(16)17/h1-3,5-6,15H,(H,16,17)
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n/an/a 2.40n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidoreductase pre-incubated for 3 mins followed xanthine substrate addition and measured every 1 mins for 10 mins...


Eur J Med Chem 140: 20-30 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.047
BindingDB Entry DOI: 10.7270/Q2474DFK
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(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/oxidase


(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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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/oxidase


(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 dehydrogenase/oxidase


(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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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/oxidase


(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/oxidase


(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 dehydrogenase/oxidase


(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/oxidase


(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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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/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 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 dehydrogenase/oxidase


(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/oxidase


(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 3.20n/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/oxidase


(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
Xanthine dehydrogenase/oxidase


(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 3.20n/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/oxidase


(Bos taurus (Bovine))
BDBM50311264
PNG
(4-(3-(4-methoxy-3-nitrophenyl)-1H-1,2,4-triazol-5-...)
Show SMILES COc1ccc(cc1[N+]([O-])=O)-c1nnc([nH]1)-c1ccncc1
Show InChI InChI=1S/C14H11N5O3/c1-22-12-3-2-10(8-11(12)19(20)21)14-16-13(17-18-14)9-4-6-15-7-5-9/h2-8H,1H3,(H,16,17,18)
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n/an/a 3.30n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM157950
PNG
(US9023882, 240)
Show SMILES CCCCc1cn(cc1C#N)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C16H16N2O2/c1-2-3-4-13-10-18(11-14(13)9-17)15-7-5-12(6-8-15)16(19)20/h5-8,10-11H,2-4H2,1H3,(H,19,20)
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n/an/a 3.30n/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 dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM158056
PNG
(US9023882, 355)
Show SMILES CCCCc1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C16H16N2O3/c1-2-3-4-11-9-18(10-12(11)8-17)13-5-6-14(16(20)21)15(19)7-13/h5-7,9-10,19H,2-4H2,1H3,(H,20,21)
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n/an/a 3.30n/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 dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM121531
PNG
(US8729273, 1)
Show SMILES CC(C)n1cc(C#N)c2cc(ccc12)-n1cc(cn1)C(O)=O
Show InChI InChI=1S/C16H14N4O2/c1-10(2)19-8-11(6-17)14-5-13(3-4-15(14)19)20-9-12(7-18-20)16(21)22/h3-5,7-10H,1-2H3,(H,21,22)
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n/an/a 3.40n/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/oxidase


(Bos taurus (Bovine))
BDBM50098068
PNG
(1-[3-CYANO-4-(NEOPENTYLOXY)PHENYL]-1H-PYRAZOLE-4-C...)
Show SMILES CC(C)(C)COc1ccc(cc1C#N)-n1cc(cn1)C(O)=O
Show InChI InChI=1S/C16H17N3O3/c1-16(2,3)10-22-14-5-4-13(6-11(14)7-17)19-9-12(8-18-19)15(20)21/h4-6,8-9H,10H2,1-3H3,(H,20,21)
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n/an/a 3.5n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidoreductase pre-incubated for 3 mins followed xanthine substrate addition and measured every 1 mins for 10 mins...


Eur J Med Chem 140: 20-30 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.047
BindingDB Entry DOI: 10.7270/Q2474DFK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM157948
PNG
(US9023882, 238)
Show SMILES CCCc1cn(cc1C#N)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C15H14N2O2/c1-2-3-12-9-17(10-13(12)8-16)14-6-4-11(5-7-14)15(18)19/h4-7,9-10H,2-3H2,1H3,(H,18,19)
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n/an/a 3.60n/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/oxidase


(Bos taurus (Bovine))
BDBM157951
PNG
(US9023882, 241)
Show SMILES CC(C)Cc1cn(cc1C#N)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C16H16N2O2/c1-11(2)7-13-9-18(10-14(13)8-17)15-5-3-12(4-6-15)16(19)20/h3-6,9-11H,7H2,1-2H3,(H,19,20)
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n/an/a 3.60n/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/oxidase


(Bos taurus (Bovine))
BDBM157953
PNG
(US9023882, 244)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1ccco1
Show InChI InChI=1S/C16H10N2O3/c17-8-12-9-18(10-14(12)15-2-1-7-21-15)13-5-3-11(4-6-13)16(19)20/h1-7,9-10H,(H,19,20)
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n/an/a 3.60n/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/oxidase


(Bos taurus (Bovine))
BDBM157938
PNG
(US9023882, 227)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H15N3O3/c21-10-16-12-23(17-8-6-15(7-9-17)20(25)26)13-18(16)19(24)22-11-14-4-2-1-3-5-14/h1-9,12-13H,11H2,(H,22,24)(H,25,26)
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n/an/a 3.60n/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/oxidase


(Bos taurus (Bovine))
BDBM50254496
PNG
(4-(3-(4-isobutoxy-3-nitrophenyl)-1H-1,2,4-triazol-...)
Show SMILES CC(C)COc1ccc(cc1[N+]([O-])=O)-c1nnc([nH]1)-c1ccncc1
Show InChI InChI=1S/C17H17N5O3/c1-11(2)10-25-15-4-3-13(9-14(15)22(23)24)17-19-16(20-21-17)12-5-7-18-8-6-12/h3-9,11H,10H2,1-2H3,(H,19,20,21)
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n/an/a 3.70n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM121536
PNG
(US8729273, 6)
Show SMILES COCCn1cc(C#N)c2cc(ccc12)-n1cc(cn1)C(O)=O
Show InChI InChI=1S/C16H14N4O3/c1-23-5-4-19-9-11(7-17)14-6-13(2-3-15(14)19)20-10-12(8-18-20)16(21)22/h2-3,6,8-10H,4-5H2,1H3,(H,21,22)
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n/an/a 3.80n/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 dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM157921
PNG
(US9023882, 207)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(CCc2ccccc2)c(c1)C#N
Show InChI InChI=1S/C20H16N2O2/c21-12-18-14-22(19-10-8-16(9-11-19)20(23)24)13-17(18)7-6-15-4-2-1-3-5-15/h1-5,8-11,13-14H,6-7H2,(H,23,24)
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n/an/a 3.80n/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/oxidase


(Bos taurus (Bovine))
BDBM153045
PNG
(US8993616, 191)
Show SMILES OC(=O)c1ccc(cc1O)-n1cc(C#N)c2cc(F)ccc12
Show InChI InChI=1S/C16H9FN2O3/c17-10-1-4-14-13(5-10)9(7-18)8-19(14)11-2-3-12(16(21)22)15(20)6-11/h1-6,8,20H,(H,21,22)
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n/an/a 3.90n/an/an/an/an/a25



Kissei Pharmaceutical Co., Ltd.

US Patent


Assay Description
Test compounds were dissolved in DMSO (Wako) at 40 mM concentration and then diluted to intended concentrations with phosphate-buffered saline (PBS)....


US Patent US8993616 (2015)


BindingDB Entry DOI: 10.7270/Q2445K6V
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM157992
PNG
(US9023882, 285)
Show SMILES COc1ccc(cc1OC)-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C20H16N2O5/c1-26-18-6-3-12(7-19(18)27-2)16-11-22(10-13(16)9-21)14-4-5-15(20(24)25)17(23)8-14/h3-8,10-11,23H,1-2H3,(H,24,25)
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n/an/a 3.90n/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/oxidase


(Bos taurus (Bovine))
BDBM157967
PNG
(US9023882, 258)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(CCc2ccco2)c(c1)C#N
Show InChI InChI=1S/C18H14N2O3/c19-10-15-12-20(16-6-3-13(4-7-16)18(21)22)11-14(15)5-8-17-2-1-9-23-17/h1-4,6-7,9,11-12H,5,8H2,(H,21,22)
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n/an/a 3.90n/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/oxidase


(Bos taurus (Bovine))
BDBM157879
PNG
(US9023882, 152)
Show SMILES OCCOc1ccccc1-c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H16N2O4/c21-11-15-12-22(16-7-5-14(6-8-16)20(24)25)13-18(15)17-3-1-2-4-19(17)26-10-9-23/h1-8,12-13,23H,9-10H2,(H,24,25)
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n/an/a 4n/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/oxidase


(Bos taurus (Bovine))
BDBM50240899
PNG
(5,7-Dihydroxy-2-(4-hydroxy-phenyl)-3-methoxy-chrom...)
Show SMILES COc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C16H12O6/c1-21-16-14(20)13-11(19)6-10(18)7-12(13)22-15(16)8-2-4-9(17)5-3-8/h2-7,17-19H,1H3
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n/an/a 4n/an/an/an/an/an/a



Universidad Nacional de C£rdoba

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidase using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins...


Eur J Med Chem 143: 577-582 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.071
BindingDB Entry DOI: 10.7270/Q2X35144
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM158040
PNG
(US9023882, 337)
Show SMILES OC(=O)c1ccc(cc1)-c1cn(cc1C#N)-c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C19H12N2O5/c20-8-13-9-21(14-5-6-15(19(25)26)17(22)7-14)10-16(13)11-1-3-12(4-2-11)18(23)24/h1-7,9-10,22H,(H,23,24)(H,25,26)
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n/an/a 4n/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/oxidase


(Bos taurus (Bovine))
BDBM157873
PNG
(US9023882, 146)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1ccccc1O
Show InChI InChI=1S/C18H12N2O3/c19-9-13-10-20(14-7-5-12(6-8-14)18(22)23)11-16(13)15-3-1-2-4-17(15)21/h1-8,10-11,21H,(H,22,23)
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n/an/a 4n/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/oxidase


(Bos taurus (Bovine))
BDBM50426742
PNG
(CHEMBL2322167)
Show SMILES CC(C)(C)COc1ccc(cc1C#N)-c1cc(=O)[nH]c(N)n1
Show InChI InChI=1S/C16H18N4O2/c1-16(2,3)9-22-13-5-4-10(6-11(13)8-17)12-7-14(21)20-15(18)19-12/h4-7H,9H2,1-3H3,(H3,18,19,20,21)
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n/an/a 4n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 23: 834-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.057
BindingDB Entry DOI: 10.7270/Q28W3FMN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM157945
PNG
(US9023882, 234)
Show SMILES COCCOc1cn(cc1C#N)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C15H14N2O4/c1-20-6-7-21-14-10-17(9-12(14)8-16)13-4-2-11(3-5-13)15(18)19/h2-5,9-10H,6-7H2,1H3,(H,18,19)
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n/an/a 4n/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/oxidase


(Bos taurus (Bovine))
BDBM157881
PNG
(US9023882, 154)
Show SMILES OCCOc1ccc(cc1)-c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H16N2O4/c21-11-16-12-22(17-5-1-15(2-6-17)20(24)25)13-19(16)14-3-7-18(8-4-14)26-10-9-23/h1-8,12-13,23H,9-10H2,(H,24,25)
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n/an/a 4n/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/oxidase


(Bos taurus (Bovine))
BDBM157966
PNG
(US9023882, 257)
Show SMILES CCOc1cn(cc1C#N)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C14H12N2O3/c1-2-19-13-9-16(8-11(13)7-15)12-5-3-10(4-6-12)14(17)18/h3-6,8-9H,2H2,1H3,(H,17,18)
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n/an/a 4.10n/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/oxidase


(Bos taurus (Bovine))
BDBM50457198
PNG
(CHEMBL4203776)
Show SMILES OC(=O)c1cnn(c1)-c1ccc(N2CCCCC2)c(c1)C#N
Show InChI InChI=1S/C16H16N4O2/c17-9-12-8-14(20-11-13(10-18-20)16(21)22)4-5-15(12)19-6-2-1-3-7-19/h4-5,8,10-11H,1-3,6-7H2,(H,21,22)
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n/an/a 4.20n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidoreductase pre-incubated for 3 mins followed xanthine substrate addition and measured every 1 mins for 10 mins...


Eur J Med Chem 140: 20-30 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.047
BindingDB Entry DOI: 10.7270/Q2474DFK
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM153046
PNG
(US8993616, 192)
Show SMILES OC(=O)c1ccc(cc1O)-n1cc(C#N)c2ccc(F)cc12
Show InChI InChI=1S/C16H9FN2O3/c17-10-1-3-12-9(7-18)8-19(14(12)5-10)11-2-4-13(16(21)22)15(20)6-11/h1-6,8,20H,(H,21,22)
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US Patent
n/an/a 4.30n/an/an/an/an/a25



Kissei Pharmaceutical Co., Ltd.

US Patent


Assay Description
Test compounds were dissolved in DMSO (Wako) at 40 mM concentration and then diluted to intended concentrations with phosphate-buffered saline (PBS)....


US Patent US8993616 (2015)


BindingDB Entry DOI: 10.7270/Q2445K6V
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM158042
PNG
(US9023882, 339)
Show SMILES OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1ccc(O)cc1
Show InChI InChI=1S/C18H12N2O4/c19-8-12-9-20(10-16(12)11-1-4-14(21)5-2-11)13-3-6-15(18(23)24)17(22)7-13/h1-7,9-10,21-22H,(H,23,24)
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n/an/a 4.40n/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/oxidase


(Bos taurus (Bovine))
BDBM121534
PNG
(US8729273, 4)
Show SMILES CC(C)Cn1cc(C#N)c2cc(ccc12)-n1cc(cn1)C(O)=O
Show InChI InChI=1S/C17H16N4O2/c1-11(2)8-20-9-12(6-18)15-5-14(3-4-16(15)20)21-10-13(7-19-21)17(22)23/h3-5,7,9-11H,8H2,1-2H3,(H,22,23)
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n/an/a 4.5n/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/oxidase


(Bos taurus (Bovine))
BDBM157939
PNG
(US9023882, 228)
Show SMILES CN(Cc1ccccc1)C(=O)c1cn(cc1C#N)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H17N3O3/c1-23(12-15-5-3-2-4-6-15)20(25)19-14-24(13-17(19)11-22)18-9-7-16(8-10-18)21(26)27/h2-10,13-14H,12H2,1H3,(H,26,27)
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n/an/a 4.60n/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/oxidase


(Bos taurus (Bovine))
BDBM157925
PNG
(US9023882, 211)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C#N)c(c1)-c1cccc(c1)C#N
Show InChI InChI=1S/C19H11N3O2/c20-9-13-2-1-3-15(8-13)18-12-22(11-16(18)10-21)17-6-4-14(5-7-17)19(23)24/h1-8,11-12H,(H,23,24)
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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/oxidase


(Bos taurus (Bovine))
BDBM121547
PNG
(US8729273, 17)
Show SMILES CC(C)n1cc([N+]([O-])=O)c2cc(ccc12)-n1cc(cn1)C(O)=O
Show InChI InChI=1S/C15H14N4O4/c1-9(2)17-8-14(19(22)23)12-5-11(3-4-13(12)17)18-7-10(6-16-18)15(20)21/h3-9H,1-2H3,(H,20,21)
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n/an/a 4.60n/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/oxidase


(Bos taurus (Bovine))
BDBM121539
PNG
(US8729273, 9)
Show SMILES OC(=O)c1cnn(c1)-c1ccc2n(cc(C#N)c2c1)C1CCCC1
Show InChI InChI=1S/C18H16N4O2/c19-8-12-10-21(14-3-1-2-4-14)17-6-5-15(7-16(12)17)22-11-13(9-20-22)18(23)24/h5-7,9-11,14H,1-4H2,(H,23,24)
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n/an/a 4.60n/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
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