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Patent code US9802907

Compile Data Set for Download or QSAR
Found 47 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 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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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 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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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 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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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US Patent
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 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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
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UniChem
US Patent
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)
PDB
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US Patent
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
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UniChem
US Patent
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 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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
PC cid
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UniChem
US Patent
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 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)
PDB
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US Patent
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)
PDB
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UniChem
US Patent
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 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)
PDB
MMDB

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UniProtKB/SwissProt

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UniChem
US Patent
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
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UniChem
US Patent
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)
PDB
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UniProtKB/SwissProt

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UniChem
US Patent
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)
PDB
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UniProtKB/SwissProt

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UniChem
US Patent
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)
PDB
MMDB

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UniProtKB/SwissProt

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UniChem
US Patent
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 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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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UniChem
US Patent
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))
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)
PDB
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UniProtKB/SwissProt

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UniChem
US Patent
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))
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)
PDB
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UniProtKB/SwissProt

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US Patent
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))
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)
PDB
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UniProtKB/SwissProt

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UniChem
US Patent
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)
PDB
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UniProtKB/SwissProt

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UniChem

Similars

US Patent
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)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC sid
UniChem

Similars

US Patent
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
PC cid
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US Patent
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 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 oxidase


(Homo sapiens (Human))
BDBM352043
PNG
(US9802907, Compound 22)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(-c2ccc(F)c(F)c2)c(c1)C#N
Show InChI InChI=1S/C18H10F2N2O2Se/c1-9-16(18(23)24)25-17(22-9)11-2-4-13(12(6-11)8-21)10-3-5-14(19)15(20)7-10/h2-7H,1H3,(H,23,24)
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n/an/a 3.24n/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))
BDBM352036
PNG
(US9802907, Compound 15)
Show SMILES COc1ccc(cc1OC)-c1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C20H16N2O4Se/c1-11-18(20(23)24)27-19(22-11)13-4-6-15(14(8-13)10-21)12-5-7-16(25-2)17(9-12)26-3/h4-9H,1-3H3,(H,23,24)
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n/an/a 3.25n/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))
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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US Patent
n/an/a 3.28n/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))
BDBM352046
PNG
(US9802907, Compound 25)
Show SMILES COc1ccc(c(OC)c1)-c1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C20H16N2O4Se/c1-11-18(20(23)24)27-19(22-11)12-4-6-15(13(8-12)10-21)16-7-5-14(25-2)9-17(16)26-3/h4-9H,1-3H3,(H,23,24)
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n/an/a 3.47n/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))
BDBM352054
PNG
(US9802907, Compound 39)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(Sc2ccc(Cl)cc2)c(c1)C#N
Show InChI InChI=1S/C18H11ClN2O2SSe/c1-10-16(18(22)23)25-17(21-10)11-2-7-15(12(8-11)9-20)24-14-5-3-13(19)4-6-14/h2-8H,1H3,(H,22,23)
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n/an/a 3.58n/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))
BDBM352038
PNG
(US9802907, Compound 17)
Show SMILES COc1cc(cc(OC)c1OC)-c1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C21H18N2O5Se/c1-11-19(21(24)25)29-20(23-11)12-5-6-15(14(7-12)10-22)13-8-16(26-2)18(28-4)17(9-13)27-3/h5-9H,1-4H3,(H,24,25)
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n/an/a 3.79n/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))
BDBM352041
PNG
(US9802907, Compound 20)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(-c2cccc(OC(F)(F)F)c2)c(c1)C#N
Show InChI InChI=1S/C19H11F3N2O3Se/c1-10-16(18(25)26)28-17(24-10)12-5-6-15(13(7-12)9-23)11-3-2-4-14(8-11)27-19(20,21)22/h2-8H,1H3,(H,25,26)
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n/an/a 3.92n/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))
BDBM352061
PNG
(US9802907, Compound 46)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(-c2cc3CNCCc3s2)c(c1)C#N
Show InChI InChI=1S/C19H15N3O2SSe/c1-10-17(19(23)24)26-18(22-10)11-2-3-14(12(6-11)8-20)16-7-13-9-21-5-4-15(13)25-16/h2-3,6-7,21H,4-5,9H2,1H3,(H,23,24)
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n/an/a 4.11n/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))
BDBM352040
PNG
(US9802907, Compound 19)
Show SMILES COc1cccc(c1)-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)13-6-7-16(14(8-13)10-20)12-4-3-5-15(9-12)24-2/h3-9H,1-2H3,(H,22,23)
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n/an/a 4.61n/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))
BDBM352050
PNG
(US9802907, Compound 30)
Show SMILES CCc1ccc(cc1)-c1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C20H16N2O2Se/c1-3-13-4-6-14(7-5-13)17-9-8-15(10-16(17)11-21)19-22-12(2)18(25-19)20(23)24/h4-10H,3H2,1-2H3,(H,23,24)
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n/an/a 4.84n/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))
BDBM352056
PNG
(US9802907, Compound 41)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(Sc2ccccn2)c(c1)C#N
Show InChI InChI=1S/C17H11N3O2SSe/c1-10-15(17(21)22)24-16(20-10)11-5-6-13(12(8-11)9-18)23-14-4-2-3-7-19-14/h2-8H,1H3,(H,21,22)
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n/an/a 5.19n/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))
BDBM352068
PNG
(US9802907, Compound 69 | US9802907, Compound 70)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(-c2cccc(c2)C(F)(F)F)c(c1)C#N
Show InChI InChI=1S/C19H11F3N2O2Se/c1-10-16(18(25)26)27-17(24-10)12-5-6-15(13(7-12)9-23)11-3-2-4-14(8-11)19(20,21)22/h2-8H,1H3,(H,25,26)
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n/an/a 6.01n/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))
BDBM352065
PNG
(US9802907, Compound 62)
Show SMILES CC(C)SCc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C16H16N2O2SSe/c1-9(2)21-8-12-5-4-11(6-13(12)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 8.56n/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))
BDBM352060
PNG
(US9802907, Compound 45)
Show SMILES CN1CCN(CC1)c1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C17H18N4O2Se/c1-11-15(17(22)23)24-16(19-11)12-3-4-14(13(9-12)10-18)21-7-5-20(2)6-8-21/h3-4,9H,5-8H2,1-2H3,(H,22,23)
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n/an/a 9.13n/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))
BDBM352070
PNG
(US9802907, Compound 74)
Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(CO)c([se]1)C(O)=O
Show InChI InChI=1S/C16H16N2O4Se/c1-9(2)8-22-13-4-3-10(5-11(13)6-17)15-18-12(7-19)14(23-15)16(20)21/h3-5,9,19H,7-8H2,1-2H3,(H,20,21)
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n/an/a 10.1n/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))
BDBM352063
PNG
(US9802907, Compound 51)
Show SMILES CC(C)COc1ccc(cc1Cl)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C15H16ClNO3Se/c1-8(2)7-20-12-5-4-10(6-11(12)16)14-17-9(3)13(21-14)15(18)19/h4-6,8H,7H2,1-3H3,(H,18,19)
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n/an/a 10.2n/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))
BDBM352055
PNG
(US9802907, Compound 40)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(Sc2cccc(c2)C(F)(F)F)c(c1)C#N
Show InChI InChI=1S/C19H11F3N2O2SSe/c1-10-16(18(25)26)28-17(24-10)11-5-6-15(12(7-11)9-23)27-14-4-2-3-13(8-14)19(20,21)22/h2-8H,1H3,(H,25,26)
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n/an/a 12.1n/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))
BDBM352032
PNG
(US9802907, Compound 10)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(OCC2CCCCC2)c(c1)C#N
Show InChI InChI=1S/C19H20N2O3Se/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/h7-9,13H,2-6,11H2,1H3,(H,22,23)
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n/an/a 12.4n/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))
BDBM352058
PNG
(US9802907, Compound 43)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O
Show InChI InChI=1S/C15H14N2O4SSe/c1-8(2)22(20,21)12-5-4-10(6-11(12)7-16)14-17-9(3)13(23-14)15(18)19/h4-6,8H,1-3H3,(H,18,19)
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n/an/a 13.9n/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))
BDBM352073
PNG
(US9802907, Compound 86)
Show SMILES Cc1nc([se]c1C(O)=O)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C12H8F3NO2Se/c1-6-9(11(17)18)19-10(16-6)7-3-2-4-8(5-7)12(13,14)15/h2-5H,1H3,(H,17,18)
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n/an/a 25.4n/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))
BDBM352068
PNG
(US9802907, Compound 69 | US9802907, Compound 70)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(-c2cccc(c2)C(F)(F)F)c(c1)C#N
Show InChI InChI=1S/C19H11F3N2O2Se/c1-10-16(18(25)26)27-17(24-10)12-5-6-15(13(7-12)9-23)11-3-2-4-14(8-11)19(20,21)22/h2-8H,1H3,(H,25,26)
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MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 31.1n/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))
BDBM352066
PNG
(US9802907, Compound 67)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(C(=O)Nc2ccccc2)c(Br)c1
Show InChI InChI=1S/C18H13BrN2O3Se/c1-10-15(18(23)24)25-17(20-10)11-7-8-13(14(19)9-11)16(22)21-12-5-3-2-4-6-12/h2-9H,1H3,(H,21,22)(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>100n/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
* indicates data uncertainty>20%