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Compile Data Set for Download or QSAR

Found 57 hits of ki data for polymerid = 50004657,5030   
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/oxidase


(Homo sapiens (Human))
BDBM50320491
PNG
(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O
Show InChI InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)
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0.100n/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
Non-competitive inhibition of human xanthine oxidase


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


(Homo sapiens (Human))
BDBM50320491
PNG
(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O
Show InChI InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)
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0.100n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114086
BindingDB Entry DOI: 10.7270/Q27085HM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50320491
PNG
(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O
Show InChI InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)
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0.600n/an/an/an/an/an/an/an/a



West China Hospital of Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


Eur J Med Chem 166: 186-196 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.043
BindingDB Entry DOI: 10.7270/Q20C50BS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50320491
PNG
(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O
Show InChI InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)
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3.10n/an/an/an/an/an/an/an/a



West China Hospital of Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of xanthine dehydrogenase (unknown origin)


Eur J Med Chem 166: 186-196 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.043
BindingDB Entry DOI: 10.7270/Q20C50BS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50603070
PNG
(CHEMBL5197177)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1ncc2c(n1)[nH][nH]c2=O
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3.70n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114086
BindingDB Entry DOI: 10.7270/Q27085HM
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
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


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114086
BindingDB Entry DOI: 10.7270/Q27085HM
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
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



West China Hospital of Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


Eur J Med Chem 166: 186-196 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.043
BindingDB Entry DOI: 10.7270/Q20C50BS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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/oxidase


(Homo sapiens (Human))
BDBM50603060
PNG
(CHEMBL5186383)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nccc(n1)C(O)=O
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24n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114086
BindingDB Entry DOI: 10.7270/Q27085HM
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50603046
PNG
(CHEMBL5189353)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1ncc(cn1)C(O)=O
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33n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114086
BindingDB Entry DOI: 10.7270/Q27085HM
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50423777
PNG
(OXYPURINOL | Oxipurinol)
Show SMILES O=c1[nH]c2n[nH]cc2c(=O)[nH]1
Show InChI InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
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35n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human 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
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/oxidase


(Homo sapiens (Human))
BDBM50140241
PNG
(Allopurinol | Aloral | Aluline 100 | Aluline 300 |...)
Show SMILES O=c1[nH]cnc2[nH]ncc12
Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
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100n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human 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
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))
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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280n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) at 37 degC at ph 7..8


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


(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/oxidase


(Homo sapiens (Human))
BDBM50140241
PNG
(Allopurinol | Aloral | Aluline 100 | Aluline 300 |...)
Show SMILES O=c1[nH]cnc2[nH]ncc12
Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
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700n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114086
BindingDB Entry DOI: 10.7270/Q27085HM
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50140241
PNG
(Allopurinol | Aloral | Aluline 100 | Aluline 300 |...)
Show SMILES O=c1[nH]cnc2[nH]ncc12
Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
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700n/an/an/an/an/an/an/an/a



West China Hospital of Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


Eur J Med Chem 166: 186-196 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.043
BindingDB Entry DOI: 10.7270/Q20C50BS
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/oxidase


(Homo sapiens (Human))
BDBM50423777
PNG
(OXYPURINOL | Oxipurinol)
Show SMILES O=c1[nH]c2n[nH]cc2c(=O)[nH]1
Show InChI InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
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1.00E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of oxidized form of human 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
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/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/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/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/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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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/oxidase


(Homo sapiens (Human))
BDBM50460206
PNG
(CHEMBL4228510)
Show SMILES COc1ccc(C\C(=N/O)c2nc3ccc(OC)cc3o2)cc1
Show InChI InChI=1S/C17H16N2O4/c1-21-12-5-3-11(4-6-12)9-15(19-20)17-18-14-8-7-13(22-2)10-16(14)23-17/h3-8,10,20H,9H2,1-2H3/b19-15+
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2.89E+3n/an/an/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Competitive inhibition of Xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 1 to 5 mins followed by substrate addition b...


Bioorg Med Chem 26: 1653-1664 (2018)


Article DOI: 10.1016/j.bmc.2018.02.013
BindingDB Entry DOI: 10.7270/Q2QZ2DK4
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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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
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50233808
PNG
(CHEMBL4086701 | US11021454, Compound 6e)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C26H21NO8/c28-17-6-1-14(2-7-17)11-19(26(33)34)27-24(32)10-5-15-3-9-21(30)25-18(15)13-23(35-25)16-4-8-20(29)22(31)12-16/h1-10,12-13,19,28-31H,11H2,(H,27,32)(H,33,34)/b10-5+/t19-/m0/s1
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3.43E+3n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Mixed-type competitive inhibition of Xanthine oxidase (unknown origin) assessed as enzyme-inhibitor complex preincubated for 3 mins followed by xanth...


Eur J Med Chem 124: 637-648 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.019
BindingDB Entry DOI: 10.7270/Q2SJ1NVQ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50051713
PNG
(2-Benzylsulfanyl-8-hydroxy-1,9-dihydro-purin-6-one...)
Show SMILES O=c1[nH]c2nc(SCc3ccccc3)[nH]c(=O)c2[nH]1
Show InChI InChI=1S/C12H10N4O2S/c17-10-8-9(14-11(18)13-8)15-12(16-10)19-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,13,14,15,16,17,18)
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4.49E+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))
BDBM50051731
PNG
(2-Methylsulfanyl-8-phenyl-1,9-dihydro-purin-6-one ...)
Show SMILES CSc1nc2nc([nH]c2c(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C12H10N4OS/c1-18-12-15-10-8(11(17)16-12)13-9(14-10)7-5-3-2-4-6-7/h2-6H,1H3,(H2,13,14,15,16,17)
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5.70E+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))
BDBM35440
PNG
(ALLOPURINOL | MLS000069453 | SMR000059083 | cid_20...)
Show SMILES O=c1[nH]cnc2n[nH]cc12
Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
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7.00E+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))
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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7.30E+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
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50269378
PNG
(CHEMBL447311 | apigenin-4'-O-(2''-O-p-coumaroyl)-b...)
Show SMILES OC[C@@H]1O[C@H](Oc2ccc(cc2)-c2cc(O)c3c(cc(O)cc3=O)o2)[C@@H](OC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@H]1O |r,w:29.31|
Show InChI InChI=1S/C30H26O12/c31-14-24-27(37)28(38)29(42-25(36)10-3-15-1-6-17(32)7-2-15)30(41-24)39-19-8-4-16(5-9-19)22-13-21(35)26-20(34)11-18(33)12-23(26)40-22/h1-13,24,27-33,35,37-38H,14H2/t24-,27-,28+,29-,30-/m0/s1
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1.44E+4n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) by competitive Lineweaver-burk plot


J Nat Prod 69: 1089-91 (2006)


Article DOI: 10.1021/np060038a
BindingDB Entry DOI: 10.7270/Q2RV0NG6
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50013097
PNG
(2-Butylamino-1,9-dihydro-purin-6-one | 2-Butylamin...)
Show SMILES CCCCNc1nc2nc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C9H13N5O/c1-2-3-4-10-9-13-7-6(8(15)14-9)11-5-12-7/h5H,2-4H2,1H3,(H3,10,11,12,13,14,15)
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1.77E+4n/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))
BDBM50051726
PNG
(2-Mercapto-6,7-dihydro-3H-thiazolo[3,2-a]purin-9-o...)
Show SMILES O=c1n2CCSc2nc2[nH]c(=S)[nH]c12
Show InChI InChI=1S/C7H6N4OS2/c12-5-3-4(9-6(13)8-3)10-7-11(5)1-2-14-7/h1-2H2,(H2,8,9,13)
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2.44E+4n/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))
BDBM50051743
PNG
(2-Pentylamino-1,9-dihydro-purin-6-one | CHEMBL8431...)
Show SMILES CCCCCNc1nc2nc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C10H15N5O/c1-2-3-4-5-11-10-14-8-7(9(16)15-10)12-6-13-8/h6H,2-5H2,1H3,(H3,11,12,13,14,15,16)
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2.57E+4n/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))
BDBM50330722
PNG
(2-(2-chlorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)...)
Show SMILES Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C19H15ClN4O2/c1-12-18-15(10-17(25)23(12)11-13-6-4-5-9-21-13)22-24(19(18)26)16-8-3-2-7-14(16)20/h2-10,22H,11H2,1H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase by invitro enzymatic assay in presence of xanthine


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50359523
PNG
(CHEMBL1927147)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O
Show InChI InChI=1S/C23H21ClN4O2/c24-17-9-4-5-10-19(17)28-23(30)22-18(25-28)13-21(29)27-12-6-11-26(15-20(22)27)14-16-7-2-1-3-8-16/h1-5,7-10,13,25H,6,11-12,14-15H2
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>3.00E+4n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase assessed as inhibition of ROS production after 20 mins by cell-free amplex red assay


Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50330688
PNG
(4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazo...)
Show SMILES Cc1n(Cc2cccnc2)c(=O)cc2[nH]n(-c3ccccc3)c(=O)c12
Show InChI InChI=1S/C19H16N4O2/c1-13-18-16(21-23(19(18)25)15-7-3-2-4-8-15)10-17(24)22(13)12-14-6-5-9-20-11-14/h2-11,21H,12H2,1H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase by invitro enzymatic assay in presence of xanthine


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50013077
PNG
(2-Hexylamino-1,9-dihydro-purin-6-one | 2-Hexylamin...)
Show SMILES CCCCCCNc1nc2nc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H17N5O/c1-2-3-4-5-6-12-11-15-9-8(10(17)16-11)13-7-14-9/h7H,2-6H2,1H3,(H3,12,13,14,15,16,17)
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3.21E+4n/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))
BDBM50051719
PNG
(2-Hydroxy-6,7-dihydro-3H-thiazolo[3,2-a]purin-9-on...)
Show SMILES O=c1[nH]c2nc3SCCn3c(=O)c2[nH]1
Show InChI InChI=1S/C7H6N4O2S/c12-5-3-4(9-6(13)8-3)10-7-11(5)1-2-14-7/h1-2H2,(H2,8,9,13)
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4.03E+4n/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))
BDBM50051715
PNG
(2-Hydroxy-7,8-dihydro-3H,6H-5-thia-1,3,4,8a-tetraa...)
Show SMILES O=c1[nH]c2nc3SCCCn3c(=O)c2[nH]1
Show InChI InChI=1S/C8H8N4O2S/c13-6-4-5(10-7(14)9-4)11-8-12(6)2-1-3-15-8/h1-3H2,(H2,9,10,14)
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6.68E+4n/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
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