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Compile Data Set for Download or QSAR

Found 60 hits of ki 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))
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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0.120n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine xanthine oxidase


J Nat Prod 77: 1693-9 (2014)


Article DOI: 10.1021/np500320g
BindingDB Entry DOI: 10.7270/Q2QJ7M9S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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0.900n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine xanthine oxidase assessed as enzyme-inhibitor complex


J Nat Prod 77: 1693-9 (2014)


Article DOI: 10.1021/np500320g
BindingDB Entry DOI: 10.7270/Q2QJ7M9S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Xanthine dehydrogenase/oxidase


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



Shenyang Pharmaceutical University

Curated by ChEMBL


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


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


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


(Bos taurus (Bovine))
BDBM50497925
PNG
(CHEBI:70981 | CHEMBL3314206)
Show SMILES Nc1nc2ncc(C=O)nc2c(=O)[nH]1
Show InChI InChI=1S/C7H5N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1-2H,(H3,8,9,11,12,14)
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1.80n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidoreductase by spectrophotometry


J Nat Prod 77: 1693-9 (2014)


Article DOI: 10.1021/np500320g
BindingDB Entry DOI: 10.7270/Q2QJ7M9S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


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



Shenyang Pharmaceutical University

Curated by ChEMBL


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


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


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


(Bos taurus (Bovine))
BDBM50253763
PNG
(CHEMBL4067565)
Show SMILES COc1ccc(\C=C2/Oc3cc(OCC(O)=O)ccc3C2=O)c(OC)c1
Show InChI InChI=1S/C19H16O7/c1-23-12-4-3-11(15(8-12)24-2)7-17-19(22)14-6-5-13(9-16(14)26-17)25-10-18(20)21/h3-9H,10H2,1-2H3,(H,20,21)/b17-7-
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2.90n/an/an/an/an/an/an/an/a



National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-inhibitor complex using varying levels of xanthine as substrate by Line-weav...


Bioorg Med Chem 25: 3606-3613 (2017)


Article DOI: 10.1016/j.bmc.2017.04.048
BindingDB Entry DOI: 10.7270/Q22R3V3N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50517021
PNG
(CHEMBL4445985)
Show SMILES CC(C)CCOc1ccc(cc1C#N)-c1ncc(C(O)=O)c(=N)[nH]1
Show InChI InChI=1S/C17H18N4O3/c1-10(2)5-6-24-14-4-3-11(7-12(14)8-18)16-20-9-13(17(22)23)15(19)21-16/h3-4,7,9-10H,5-6H2,1-2H3,(H,22,23)(H2,19,20,21)
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4.20n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Mixed type inhibition of bovine xanthine oxidase using xanthine as substrate preincubated with enzyme for 15 mins followed by substrate addition and ...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.061
BindingDB Entry DOI: 10.7270/Q2ST7T69
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50267750
PNG
(CHEMBL1078685)
Show SMILES N#Cc1cc(ccn1)-c1n[nH]c(n1)-c1ccncc1
Show InChI InChI=1S/C13H8N6/c14-8-11-7-10(3-6-16-11)13-17-12(18-19-13)9-1-4-15-5-2-9/h1-7H,(H,17,18,19)
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5.70n/an/an/an/an/an/an/an/a



Department of Chemistry, Faculty of Medicine, University of Ni?, Bulevar Dr Zorana?in?i?a 81, 18000 Ni?, Serbia.

Curated by ChEMBL


Assay Description
Competitive inhibition of bovine milk xanthine oxidoreductase assessed as reduction in uric acid formation by spectrophotometric assay


Eur J Med Chem 135: 491-516 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.031
BindingDB Entry DOI: 10.7270/Q2VD71XP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Xanthine dehydrogenase/oxidase


(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)


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


(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)


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


(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)


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


(Bos taurus (Bovine))
BDBM50570624
PNG
(CHEMBL4869246)
Show SMILES CC(C)CCOc1ccc(cc1C#N)-c1nccc(O)n1
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18n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed type inhibition of bovine milk xanthine oxidase assessed as inhibitory constant using xanthine as substrate preincubated for 15 mins followed b...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116117
BindingDB Entry DOI: 10.7270/Q261144N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(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)


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


(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)


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


(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)


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


(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)


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


(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)


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


(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)


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


(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)


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


(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)


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


(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)


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


(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)


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


(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)


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


(Bos taurus (Bovine))
BDBM50253763
PNG
(CHEMBL4067565)
Show SMILES COc1ccc(\C=C2/Oc3cc(OCC(O)=O)ccc3C2=O)c(OC)c1
Show InChI InChI=1S/C19H16O7/c1-23-12-4-3-11(15(8-12)24-2)7-17-19(22)14-6-5-13(9-16(14)26-17)25-10-18(20)21/h3-9H,10H2,1-2H3,(H,20,21)/b17-7-
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34n/an/an/an/an/an/an/an/a



National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...


Bioorg Med Chem 25: 3606-3613 (2017)


Article DOI: 10.1016/j.bmc.2017.04.048
BindingDB Entry DOI: 10.7270/Q22R3V3N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(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)


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


(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)


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


(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)


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


(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)


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


(Bos taurus (Bovine))
BDBM50517021
PNG
(CHEMBL4445985)
Show SMILES CC(C)CCOc1ccc(cc1C#N)-c1ncc(C(O)=O)c(=N)[nH]1
Show InChI InChI=1S/C17H18N4O3/c1-10(2)5-6-24-14-4-3-11(7-12(14)8-18)16-20-9-13(17(22)23)15(19)21-16/h3-4,7,9-10H,5-6H2,1-2H3,(H,22,23)(H2,19,20,21)
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127n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Mixed type inhibition of bovine xanthine oxidase using xanthine as substrate preincubated with enzyme for 15 mins followed by substrate addition and ...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.061
BindingDB Entry DOI: 10.7270/Q2ST7T69
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50253764
PNG
(CHEMBL4078467)
Show SMILES CC(=C)COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H16O5/c1-12(2)11-24-15-7-8-16-17(10-15)25-18(19(16)21)9-13-3-5-14(6-4-13)20(22)23/h3-10H,1,11H2,2H3,(H,22,23)/b18-9-
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128n/an/an/an/an/an/an/an/a



National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-inhibitor complex using varying levels of xanthine as substrate by Line-weav...


Bioorg Med Chem 25: 3606-3613 (2017)


Article DOI: 10.1016/j.bmc.2017.04.048
BindingDB Entry DOI: 10.7270/Q22R3V3N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50564058
PNG
(CHEMBL4792232)
Show SMILES O=c1[nH]c(no1)-c1ccc2n(cc(C#N)c2c1)C1CCCC1
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138n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed type inhibition of bovine xanthine oxidase assessed as inhibitory constant using xanthine as substrate preincubated for 25 mins followed by sub...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112077
BindingDB Entry DOI: 10.7270/Q2280CCG
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(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
BindingDB Entry DOI: 10.7270/Q2GX4DS2
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(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)


Article DOI: 10.1016/j.bmc.2017.02.044
BindingDB Entry DOI: 10.7270/Q2C82CKQ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(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
BindingDB Entry DOI: 10.7270/Q2GX4DS2
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(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)


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


(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
3D
3D Structure (crystal)
Xanthine dehydrogenase/oxidase


(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)


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


(Bos taurus (Bovine))
BDBM50253764
PNG
(CHEMBL4078467)
Show SMILES CC(=C)COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H16O5/c1-12(2)11-24-15-7-8-16-17(10-15)25-18(19(16)21)9-13-3-5-14(6-4-13)20(22)23/h3-10H,1,11H2,2H3,(H,22,23)/b18-9-
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1.20E+3n/an/an/an/an/an/an/an/a



National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...


Bioorg Med Chem 25: 3606-3613 (2017)


Article DOI: 10.1016/j.bmc.2017.04.048
BindingDB Entry DOI: 10.7270/Q22R3V3N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(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)


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


(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)


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


(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/oxidase


(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)


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


(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)


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


(Bos taurus (Bovine))
BDBM50028122
PNG
(2-Amino-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one ...)
Show SMILES Nc1nc2[nH]ccc2c(=O)[nH]1
Show InChI InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11)
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3.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound is evaluated for competitive inhibition against xanthine oxidase from cow's milk


J Med Chem 27: 981-5 (1984)


BindingDB Entry DOI: 10.7270/Q2R211ZG
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50028121
PNG
(2-Amino-7-methyl-4a,7-dihydro-pyrrolo[2,3-d]pyrimi...)
Show SMILES Cn1ccc2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C7H8N4O/c1-11-3-2-4-5(11)9-7(8)10-6(4)12/h2-3H,1H3,(H3,8,9,10,12)
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3.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound is evaluated for competitive inhibition against xanthine oxidase from cow's milk


J Med Chem 27: 981-5 (1984)


BindingDB Entry DOI: 10.7270/Q2R211ZG
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50468297
PNG
(CHEMBL4282897)
Show SMILES CNC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C18H15NO5/c1-19-17(23)7-4-10-2-6-14(21)18-12(10)9-16(24-18)11-3-5-13(20)15(22)8-11/h2-9,20-22H,1H3,(H,19,23)/b7-4+
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3.52E+3n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Competitive inhibition of bovine xanthine oxidase using xanthine as substrate preincubated for 3 mins followed by substrate addition by Lineweaver-Bu...


Eur J Med Chem 151: 849-860 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.096
BindingDB Entry DOI: 10.7270/Q2VT1VT4
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50016666
PNG
(CHEMBL3276835)
Show SMILES Oc1cc(O)n2nccc2n1
Show InChI InChI=1S/C6H5N3O2/c10-5-3-6(11)9-4(8-5)1-2-7-9/h1-3,11H,(H,8,10)
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4.20E+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)


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


(Bos taurus (Bovine))
BDBM50028120
PNG
(2-Amino-1-methyl-1,7-dihydro-pyrrolo[2,3-d]pyrimid...)
Show SMILES Cn1c(N)nc(O)c2ccnc12
Show InChI InChI=1S/C7H8N4O/c1-11-5-4(2-3-9-5)6(12)10-7(11)8/h2-3,12H,1H3,(H2,8,10)
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4.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound is evaluated for competitive inhibition against xanthine oxidase from cow's milk


J Med Chem 27: 981-5 (1984)


BindingDB Entry DOI: 10.7270/Q2R211ZG
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50016666
PNG
(CHEMBL3276835)
Show SMILES Oc1cc(O)n2nccc2n1
Show InChI InChI=1S/C6H5N3O2/c10-5-3-6(11)9-4(8-5)1-2-7-9/h1-3,11H,(H,8,10)
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5.40E+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)


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


(Bos taurus (Bovine))
BDBM50237969
PNG
(CHEMBL4059808)
Show SMILES Oc1ccc(\C=N\NC(=O)c2cccnc2)cc1O
Show InChI InChI=1S/C13H11N3O3/c17-11-4-3-9(6-12(11)18)7-15-16-13(19)10-2-1-5-14-8-10/h1-8,17-18H,(H,16,19)/b15-7+
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Article
PubMed
7.27E+3n/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)


Article DOI: 10.1016/j.bmc.2017.02.044
BindingDB Entry DOI: 10.7270/Q2C82CKQ
More data for this
Ligand-Target Pair
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