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Compile Data Set for Download or QSAR

Found 87 hits of ki 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))
BDBM85771
PNG
(6-(N-benzoylamino)purine, 2)
Show SMILES O=C(Nc1ncnc2nc[nH]c12)c1ccccc1
Show InChI InChI=1S/C12H9N5O/c18-12(8-4-2-1-3-5-8)17-11-9-10(14-6-13-9)15-7-16-11/h1-7H,(H2,13,14,15,16,17,18)
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0.0475n/a 450n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research



Assay Description
Inhibition assay of the xanthine oxidase reaction by various purine based inhibitors was measured in terms of the decrease in uric acid formation at ...


J Enzyme Inhib Med Chem 20: 317-24 (2005)


Article DOI: 10.1080/14756360500112326
BindingDB Entry DOI: 10.7270/Q2F76B3T
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


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



Shenyang Pharmaceutical University

Curated by ChEMBL


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


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


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


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



Shenyang Pharmaceutical University

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50051737
PNG
(2-Hexylsulfanyl-1,9-dihydro-purin-6-one | CHEMBL86...)
Show SMILES CCCCCCSc1nc2nc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H16N4OS/c1-2-3-4-5-6-17-11-14-9-8(10(16)15-11)12-7-13-9/h7H,2-6H2,1H3,(H2,12,13,14,15,16)
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9.80n/an/an/an/an/an/an/an/a



Università di Modena

Curated by ChEMBL


Assay Description
Inhibitory activity against Xanthine Oxidase


J Med Chem 39: 2529-35 (1996)


Article DOI: 10.1021/jm950876u
BindingDB Entry DOI: 10.7270/Q23R0RZS
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016697
PNG
(CHEMBL3277223)
Show SMILES Oc1cc(O)n2ncc(-c3cccc4ccccc34)c2n1
Show InChI InChI=1S/C16H11N3O2/c20-14-8-15(21)19-16(18-14)13(9-17-19)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,21H,(H,18,20)
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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


Article DOI: 10.1021/jm00224a017
BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016697
PNG
(CHEMBL3277223)
Show SMILES Oc1cc(O)n2ncc(-c3cccc4ccccc34)c2n1
Show InChI InChI=1S/C16H11N3O2/c20-14-8-15(21)19-16(18-14)13(9-17-19)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,21H,(H,18,20)
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


Article DOI: 10.1021/jm00224a017
BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016702
PNG
(CHEMBL3276844)
Show SMILES Cc1ccc(cc1)-c1cnn2c(O)cc(O)nc12
Show InChI InChI=1S/C13H11N3O2/c1-8-2-4-9(5-3-8)10-7-14-16-12(18)6-11(17)15-13(10)16/h2-7,18H,1H3,(H,15,17)
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17n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


Article DOI: 10.1021/jm00224a017
BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016707
PNG
(CHEMBL3276846)
Show SMILES Oc1cc(O)n2ncc(-c3ccc4OCOc4c3)c2n1
Show InChI InChI=1S/C13H9N3O4/c17-11-4-12(18)16-13(15-11)8(5-14-16)7-1-2-9-10(3-7)20-6-19-9/h1-5,18H,6H2,(H,15,17)
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


Article DOI: 10.1021/jm00224a017
BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016700
PNG
(CHEMBL3276842)
Show SMILES Oc1cc(O)n2ncc(-c3ccc(Cl)cc3)c2n1
Show InChI InChI=1S/C12H8ClN3O2/c13-8-3-1-7(2-4-8)9-6-14-16-11(18)5-10(17)15-12(9)16/h1-6,18H,(H,15,17)
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19n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


Article DOI: 10.1021/jm00224a017
BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016705
PNG
(CHEMBL3276845)
Show SMILES Cc1cccc(c1)-c1cnn2c(O)cc(O)nc12
Show InChI InChI=1S/C13H11N3O2/c1-8-3-2-4-9(5-8)10-7-14-16-12(18)6-11(17)15-13(10)16/h2-7,18H,1H3,(H,15,17)
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19n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


Article DOI: 10.1021/jm00224a017
BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016705
PNG
(CHEMBL3276845)
Show SMILES Cc1cccc(c1)-c1cnn2c(O)cc(O)nc12
Show InChI InChI=1S/C13H11N3O2/c1-8-3-2-4-9(5-8)10-7-14-16-12(18)6-11(17)15-13(10)16/h2-7,18H,1H3,(H,15,17)
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


Article DOI: 10.1021/jm00224a017
BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016707
PNG
(CHEMBL3276846)
Show SMILES Oc1cc(O)n2ncc(-c3ccc4OCOc4c3)c2n1
Show InChI InChI=1S/C13H9N3O4/c17-11-4-12(18)16-13(15-11)8(5-14-16)7-1-2-9-10(3-7)20-6-19-9/h1-5,18H,6H2,(H,15,17)
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23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


Article DOI: 10.1021/jm00224a017
BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016699
PNG
(CHEMBL3276841)
Show SMILES Oc1cc(O)n2ncc(-c3ccc(Br)cc3)c2n1
Show InChI InChI=1S/C12H8BrN3O2/c13-8-3-1-7(2-4-8)9-6-14-16-11(18)5-10(17)15-12(9)16/h1-6,18H,(H,15,17)
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23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


Article DOI: 10.1021/jm00224a017
BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016700
PNG
(CHEMBL3276842)
Show SMILES Oc1cc(O)n2ncc(-c3ccc(Cl)cc3)c2n1
Show InChI InChI=1S/C12H8ClN3O2/c13-8-3-1-7(2-4-8)9-6-14-16-11(18)5-10(17)15-12(9)16/h1-6,18H,(H,15,17)
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23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


Article DOI: 10.1021/jm00224a017
BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016702
PNG
(CHEMBL3276844)
Show SMILES Cc1ccc(cc1)-c1cnn2c(O)cc(O)nc12
Show InChI InChI=1S/C13H11N3O2/c1-8-2-4-9(5-3-8)10-7-14-16-12(18)6-11(17)15-13(10)16/h2-7,18H,1H3,(H,15,17)
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24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


Article DOI: 10.1021/jm00224a017
BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016699
PNG
(CHEMBL3276841)
Show SMILES Oc1cc(O)n2ncc(-c3ccc(Br)cc3)c2n1
Show InChI InChI=1S/C12H8BrN3O2/c13-8-3-1-7(2-4-8)9-6-14-16-11(18)5-10(17)15-12(9)16/h1-6,18H,(H,15,17)
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26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


Article DOI: 10.1021/jm00224a017
BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016696
PNG
(CHEMBL3276840)
Show SMILES Oc1cc(O)n2ncc(-c3cccnc3)c2n1
Show InChI InChI=1S/C11H8N4O2/c16-9-4-10(17)15-11(14-9)8(6-13-15)7-2-1-3-12-5-7/h1-6,17H,(H,14,16)
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26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


Article DOI: 10.1021/jm00224a017
BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016696
PNG
(CHEMBL3276840)
Show SMILES Oc1cc(O)n2ncc(-c3cccnc3)c2n1
Show InChI InChI=1S/C11H8N4O2/c16-9-4-10(17)15-11(14-9)8(6-13-15)7-2-1-3-12-5-7/h1-6,17H,(H,14,16)
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31n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


Article DOI: 10.1021/jm00224a017
BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016669
PNG
(CHEMBL3276839)
Show SMILES Oc1cc(O)n2ncc(-c3ccccc3)c2n1
Show InChI InChI=1S/C12H9N3O2/c16-10-6-11(17)15-12(14-10)9(7-13-15)8-4-2-1-3-5-8/h1-7,17H,(H,14,16)
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53n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


Article DOI: 10.1021/jm00224a017
BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50135279
PNG
(CHEMBL3747521)
Show SMILES Nc1nc2c(c[nH]c2c(=O)[nH]1)C(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H9N5O4/c14-13-16-9-8(5-15-10(9)12(20)17-13)11(19)6-2-1-3-7(4-6)18(21)22/h1-5,15H,(H3,14,16,17,20)
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55n/an/an/an/an/an/an/an/a



Universidade Estadual de Campinas

Curated by ChEMBL


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


Bioorg Med Chem 24: 226-31 (2016)


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


(Bos taurus (Bovine))
BDBM50016669
PNG
(CHEMBL3276839)
Show SMILES Oc1cc(O)n2ncc(-c3ccccc3)c2n1
Show InChI InChI=1S/C12H9N3O2/c16-10-6-11(17)15-12(14-10)9(7-13-15)8-4-2-1-3-5-8/h1-7,17H,(H,14,16)
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60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


Article DOI: 10.1021/jm00224a017
BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016701
PNG
(CHEMBL3276843)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cnn2c(O)cc(O)nc12
Show InChI InChI=1S/C14H12N4O3/c1-8(19)16-10-4-2-9(3-5-10)11-7-15-18-13(21)6-12(20)17-14(11)18/h2-7,21H,1H3,(H,16,19)(H,17,20)
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77n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


Article DOI: 10.1021/jm00224a017
BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016701
PNG
(CHEMBL3276843)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cnn2c(O)cc(O)nc12
Show InChI InChI=1S/C14H12N4O3/c1-8(19)16-10-4-2-9(3-5-10)11-7-15-18-13(21)6-12(20)17-14(11)18/h2-7,21H,1H3,(H,16,19)(H,17,20)
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85n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


Article DOI: 10.1021/jm00224a017
BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50051727
PNG
(2-Pentylsulfanyl-1,9-dihydro-purin-6-one | CHEMBL8...)
Show SMILES CCCCCSc1nc2nc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C10H14N4OS/c1-2-3-4-5-16-10-13-8-7(9(15)14-10)11-6-12-8/h6H,2-5H2,1H3,(H2,11,12,13,14,15)
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155n/an/an/an/an/an/an/an/a



Università di Modena

Curated by ChEMBL


Assay Description
Inhibitory activity against Xanthine Oxidase


J Med Chem 39: 2529-35 (1996)


Article DOI: 10.1021/jm950876u
BindingDB Entry DOI: 10.7270/Q23R0RZS
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50051734
PNG
(2-Hexylsulfanyl-8-hydroxy-1,9-dihydro-purin-6-one ...)
Show SMILES CCCCCCSc1nc2[nH]c(=O)[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H16N4O2S/c1-2-3-4-5-6-18-11-14-8-7(9(16)15-11)12-10(17)13-8/h2-6H2,1H3,(H3,12,13,14,15,16,17)
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160n/an/an/an/an/an/an/an/a



Università di Modena

Curated by ChEMBL


Assay Description
Inhibitory activity against Xanthine Oxidase


J Med Chem 39: 2529-35 (1996)


Article DOI: 10.1021/jm950876u
BindingDB Entry DOI: 10.7270/Q23R0RZS
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50051711
PNG
(2-Butylsulfanyl-1,9-dihydro-purin-6-one | CHEMBL84...)
Show SMILES CCCCSc1nc2nc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C9H12N4OS/c1-2-3-4-15-9-12-7-6(8(14)13-9)10-5-11-7/h5H,2-4H2,1H3,(H2,10,11,12,13,14)
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176n/an/an/an/an/an/an/an/a



Università di Modena

Curated by ChEMBL


Assay Description
Inhibitory activity against Xanthine Oxidase


J Med Chem 39: 2529-35 (1996)


Article DOI: 10.1021/jm950876u
BindingDB Entry DOI: 10.7270/Q23R0RZS
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50051714
PNG
(CHEMBL85737 | N-(5-Carbamoyl-3H-imidazol-4-yl)-oxa...)
Show SMILES CCCCCCOC(=O)C(=O)Nc1nc[nH]c1C(N)=O
Show InChI InChI=1S/C12H18N4O4/c1-2-3-4-5-6-20-12(19)11(18)16-10-8(9(13)17)14-7-15-10/h7H,2-6H2,1H3,(H2,13,17)(H,14,15)(H,16,18)
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260n/an/an/an/an/an/an/an/a



Università di Modena

Curated by ChEMBL


Assay Description
Inhibitory activity against Xanthine Oxidase


J Med Chem 39: 2529-35 (1996)


Article DOI: 10.1021/jm950876u
BindingDB Entry DOI: 10.7270/Q23R0RZS
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50051732
PNG
(2-Hydroxy-7,8-dihydro-3H,6H-9-thia-1,3,4,5a-tetraa...)
Show SMILES O=c1[nH]c2nc(=O)n3CCCSc3c2[nH]1
Show InChI InChI=1S/C8H8N4O2S/c13-7-9-4-5(10-7)11-8(14)12-2-1-3-15-6(4)12/h1-3H2,(H2,9,10,11,13,14)
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330n/an/an/an/an/an/an/an/a



Università di Modena

Curated by ChEMBL


Assay Description
Inhibitory activity against Xanthine Oxidase


J Med Chem 39: 2529-35 (1996)


Article DOI: 10.1021/jm950876u
BindingDB Entry DOI: 10.7270/Q23R0RZS
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50051739
PNG
(2-Hexylsulfanyl-8-phenyl-1,9-dihydro-purin-6-one |...)
Show SMILES CCCCCCSc1nc2nc([nH]c2c(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C17H20N4OS/c1-2-3-4-8-11-23-17-20-15-13(16(22)21-17)18-14(19-15)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3,(H2,18,19,20,21,22)
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490n/an/an/an/an/an/an/an/a



Università di Modena

Curated by ChEMBL


Assay Description
Inhibitory activity against Xanthine Oxidase


J Med Chem 39: 2529-35 (1996)


Article DOI: 10.1021/jm950876u
BindingDB Entry DOI: 10.7270/Q23R0RZS
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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520n/an/an/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


Eur J Med Chem 84: 206-39 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GH9KMN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50234442
PNG
(CHEMBL4069614)
Show SMILES O=Cc1ccccc1OCc1cn(Cc2ccc3C(=O)c4ccccc4C(=O)c3c2)nn1
Show InChI InChI=1S/C25H17N3O4/c29-14-17-5-1-4-8-23(17)32-15-18-13-28(27-26-18)12-16-9-10-21-22(11-16)25(31)20-7-3-2-6-19(20)24(21)30/h1-11,13-14H,12,15H2
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570n/an/an/an/an/an/an/an/a



China Medical University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine xanthine oxidase assessed as enzyme-inhibitor complex using xanthine as substrate after 60 secs by Lineweaver-Burk pl...


Bioorg Med Chem Lett 27: 729-732 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.049
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50237977
PNG
(CHEMBL3310952)
Show SMILES Oc1ccc(\C=N\NC(=O)c2ccncc2)cc1O
Show InChI InChI=1S/C13H11N3O3/c17-11-2-1-9(7-12(11)18)8-15-16-13(19)10-3-5-14-6-4-10/h1-8,17-18H,(H,16,19)/b15-8+
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820n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Competitive inhibition of bovine xanthine oxidase using varying levels of xanthine as substrate preincubated for 10 mins followed by substrate additi...


Bioorg Med Chem 25: 2351-2371 (2017)

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


(Homo sapiens (Human))
BDBM50051722
PNG
(2-Mercapto-7,8-dihydro-3H,6H-9-thia-1,3,4,5a-tetra...)
Show SMILES O=c1nc2[nH]c(=S)[nH]c2c2SCCCn12
Show InChI InChI=1S/C8H8N4OS2/c13-8-11-5-4(9-7(14)10-5)6-12(8)2-1-3-15-6/h1-3H2,(H2,9,10,11,13,14)
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890n/an/an/an/an/an/an/an/a



Università di Modena

Curated by ChEMBL


Assay Description
Inhibitory activity against Xanthine Oxidase


J Med Chem 39: 2529-35 (1996)


Article DOI: 10.1021/jm950876u
BindingDB Entry DOI: 10.7270/Q23R0RZS
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50234442
PNG
(CHEMBL4069614)
Show SMILES O=Cc1ccccc1OCc1cn(Cc2ccc3C(=O)c4ccccc4C(=O)c3c2)nn1
Show InChI InChI=1S/C25H17N3O4/c29-14-17-5-1-4-8-23(17)32-15-18-13-28(27-26-18)12-16-9-10-21-22(11-16)25(31)20-7-3-2-6-19(20)24(21)30/h1-11,13-14H,12,15H2
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940n/an/an/an/an/an/an/an/a



China Medical University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine xanthine oxidase assessed as enzyme-inhibitor-substrate complex using xanthine as substrate after 60 secs by Lineweav...


Bioorg Med Chem Lett 27: 729-732 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.049
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016784
PNG
(ALLOPURINOL | BW-56-158 | BW-56158 | CHEBI:40279 |...)
Show SMILES O=c1ncnc2[nH][nH]cc12
Show InChI InChI=1S/C5H2N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H
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1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


Article DOI: 10.1021/jm00224a017
BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50051710
PNG
(CHEMBL83530 | N-(5-Carbamoyl-3H-imidazol-4-yl)-oxa...)
Show SMILES CCCCCOC(=O)C(=O)Nc1nc[nH]c1C(N)=O
Show InChI InChI=1S/C11H16N4O4/c1-2-3-4-5-19-11(18)10(17)15-9-7(8(12)16)13-6-14-9/h6H,2-5H2,1H3,(H2,12,16)(H,13,14)(H,15,17)
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1.04E+3n/an/an/an/an/an/an/an/a



Università di Modena

Curated by ChEMBL


Assay Description
Inhibitory activity against Xanthine Oxidase


J Med Chem 39: 2529-35 (1996)


Article DOI: 10.1021/jm950876u
BindingDB Entry DOI: 10.7270/Q23R0RZS
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50051716
PNG
(CHEMBL84643 | N-(5-Carbamoyl-3H-imidazol-4-yl)-oxa...)
Show SMILES CCCCOC(=O)C(=O)Nc1nc[nH]c1C(N)=O
Show InChI InChI=1S/C10H14N4O4/c1-2-3-4-18-10(17)9(16)14-8-6(7(11)15)12-5-13-8/h5H,2-4H2,1H3,(H2,11,15)(H,12,13)(H,14,16)
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1.06E+3n/an/an/an/an/an/an/an/a



Università di Modena

Curated by ChEMBL


Assay Description
Inhibitory activity against Xanthine Oxidase


J Med Chem 39: 2529-35 (1996)


Article DOI: 10.1021/jm950876u
BindingDB Entry DOI: 10.7270/Q23R0RZS
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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1.20E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase


J Nat Prod 72: 725-31 (2009)


Article DOI: 10.1021/np8007123
BindingDB Entry DOI: 10.7270/Q26D5T1W
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016667
PNG
(CHEMBL3276837)
Show SMILES Oc1cc(O)n2ncc(Br)c2n1
Show InChI InChI=1S/C6H4BrN3O2/c7-3-2-8-10-5(12)1-4(11)9-6(3)10/h1-2,12H,(H,9,11)
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1.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


Article DOI: 10.1021/jm00224a017
BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50051725
PNG
(2-Hydroxy-7,8-dihydro-3H-thiazolo[2,3-i]purin-5-on...)
Show SMILES O=c1[nH]c2nc(=O)n3CCSc3c2[nH]1
Show InChI InChI=1S/C7H6N4O2S/c12-6-8-3-4(9-6)10-7(13)11-1-2-14-5(3)11/h1-2H2,(H2,8,9,10,12,13)
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1.26E+3n/an/an/an/an/an/an/an/a



Università di Modena

Curated by ChEMBL


Assay Description
Inhibitory activity against Xanthine Oxidase


J Med Chem 39: 2529-35 (1996)


Article DOI: 10.1021/jm950876u
BindingDB Entry DOI: 10.7270/Q23R0RZS
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016667
PNG
(CHEMBL3276837)
Show SMILES Oc1cc(O)n2ncc(Br)c2n1
Show InChI InChI=1S/C6H4BrN3O2/c7-3-2-8-10-5(12)1-4(11)9-6(3)10/h1-2,12H,(H,9,11)
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1.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


Article DOI: 10.1021/jm00224a017
BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50016784
PNG
(ALLOPURINOL | BW-56-158 | BW-56158 | CHEBI:40279 |...)
Show SMILES O=c1ncnc2[nH][nH]cc12
Show InChI InChI=1S/C5H2N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H
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1.55E+3n/an/an/an/an/an/an/an/a



Universidade Estadual de Campinas

Curated by ChEMBL


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


Bioorg Med Chem 24: 226-31 (2016)


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


(Bos taurus (Bovine))
BDBM50016668
PNG
(CHEMBL3276838)
Show SMILES Oc1cc(O)n2ncc(Cl)c2n1
Show InChI InChI=1S/C6H4ClN3O2/c7-3-2-8-10-5(12)1-4(11)9-6(3)10/h1-2,12H,(H,9,11)
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1.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


Article DOI: 10.1021/jm00224a017
BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50051740
PNG
(2-Mercapto-7,8-dihydro-3H-thiazolo[2,3-i]purin-5-o...)
Show SMILES O=c1nc2[nH]c(=S)[nH]c2c2SCCn12
Show InChI InChI=1S/C7H6N4OS2/c12-7-10-4-3(8-6(13)9-4)5-11(7)1-2-14-5/h1-2H2,(H2,8,9,10,12,13)
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1.86E+3n/an/an/an/an/an/an/an/a



Università di Modena

Curated by ChEMBL


Assay Description
Inhibitory activity against Xanthine Oxidase


J Med Chem 39: 2529-35 (1996)


Article DOI: 10.1021/jm950876u
BindingDB Entry DOI: 10.7270/Q23R0RZS
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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1.90E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase


J Nat Prod 72: 725-31 (2009)


Article DOI: 10.1021/np8007123
BindingDB Entry DOI: 10.7270/Q26D5T1W
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016668
PNG
(CHEMBL3276838)
Show SMILES Oc1cc(O)n2ncc(Cl)c2n1
Show InChI InChI=1S/C6H4ClN3O2/c7-3-2-8-10-5(12)1-4(11)9-6(3)10/h1-2,12H,(H,9,11)
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2.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


Article DOI: 10.1021/jm00224a017
BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50051712
PNG
(2-Mercapto-8-phenyl-1,9-dihydro-purin-6-one | CHEM...)
Show SMILES O=c1[nH]c(=S)[nH]c2nc([nH]c12)-c1ccccc1
Show InChI InChI=1S/C11H8N4OS/c16-10-7-9(14-11(17)15-10)13-8(12-7)6-4-2-1-3-5-6/h1-5H,(H3,12,13,14,15,16,17)
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KEGG

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2.07E+3n/an/an/an/an/an/an/an/a



Università di Modena

Curated by ChEMBL


Assay Description
Inhibitory activity against Xanthine Oxidase


J Med Chem 39: 2529-35 (1996)


Article DOI: 10.1021/jm950876u
BindingDB Entry DOI: 10.7270/Q23R0RZS
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50051738
PNG
(5-Hexanoylamino-1H-imidazole-4-carboxylic acid ami...)
Show SMILES CCCCCC(=O)Nc1nc[nH]c1C(N)=O
Show InChI InChI=1S/C10H16N4O2/c1-2-3-4-5-7(15)14-10-8(9(11)16)12-6-13-10/h6H,2-5H2,1H3,(H2,11,16)(H,12,13)(H,14,15)
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2.56E+3n/an/an/an/an/an/an/an/a



Università di Modena

Curated by ChEMBL


Assay Description
Inhibitory activity against Xanthine Oxidase


J Med Chem 39: 2529-35 (1996)


Article DOI: 10.1021/jm950876u
BindingDB Entry DOI: 10.7270/Q23R0RZS
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016784
PNG
(ALLOPURINOL | BW-56-158 | BW-56158 | CHEBI:40279 |...)
Show SMILES O=c1ncnc2[nH][nH]cc12
Show InChI InChI=1S/C5H2N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H
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2.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


Article DOI: 10.1021/jm00224a017
BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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Article
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2.90E+3n/an/an/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


Eur J Med Chem 84: 206-39 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GH9KMN
More data for this
Ligand-Target Pair
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