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PubMed code 8691450

Compile data set for download or QSAR
Found 49 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Xanthine 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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Article
PubMed
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))
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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PubMed
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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PubMed
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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PubMed
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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PubMed
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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PubMed
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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PubMed
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))
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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PubMed
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))
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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Article
PubMed
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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Article
PubMed
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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PubMed
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))
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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PubMed
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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Article
PubMed
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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PubMed
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))
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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PubMed
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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PubMed
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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PubMed
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))
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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PubMed
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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PubMed
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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PubMed
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))
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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PubMed
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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Article
PubMed
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
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50051733
PNG
(8-Hydroxy-2-phenylmethanesulfonyl-1,9-dihydro-puri...)
Show SMILES O=c1[nH]c2nc([nH]c(=O)c2[nH]1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C12H10N4O4S/c17-10-8-9(14-11(18)13-8)15-12(16-10)21(19,20)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,13,14,15,16,17,18)
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7.78E+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))
BDBM50051728
PNG
(2-Phenyl-7,8-dihydro-3H,6H-9-thia-1,3,4,5a-tetraaz...)
Show SMILES O=c1[nH]c2nc(nc2c2SCCCn12)-c1ccccc1
Show InChI InChI=1S/C14H12N4OS/c19-14-17-12-10(13-18(14)7-4-8-20-13)15-11(16-12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,15,16,17,19)
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9.30E+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))
BDBM50051723
PNG
(2-Mercapto-7-methyl-7,8-dihydro-3H,6H-5-thia-1,3,4...)
Show SMILES CC1CSc2nc3[nH]c(=S)[nH]c3c(=O)n2C1
Show InChI InChI=1S/C9H10N4OS2/c1-4-2-13-7(14)5-6(11-8(15)10-5)12-9(13)16-3-4/h4H,2-3H2,1H3,(H2,10,11,15)
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>1.00E+5n/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))
BDBM50051736
PNG
(7,8-Dihydro-3H,6H-9-thia-1,2,3,4,5a-pentaaza-cyclo...)
Show SMILES O=c1[nH]c2nnnc2c2SCCCn12
Show InChI InChI=1S/C7H7N5OS/c13-7-8-5-4(9-11-10-5)6-12(7)2-1-3-14-6/h1-3H2,(H,8,9,10,13)
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>1.00E+5n/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))
BDBM50051741
PNG
(2-Hydroxy-7-methyl-7,8-dihydro-3H,6H-5-thia-1,3,4,...)
Show SMILES CC1CSc2nc3[nH]c(=O)[nH]c3c(=O)n2C1
Show InChI InChI=1S/C9H10N4O2S/c1-4-2-13-7(14)5-6(11-8(15)10-5)12-9(13)16-3-4/h4H,2-3H2,1H3,(H2,10,11,15)
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>1.00E+5n/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))
BDBM50051717
PNG
(2-Mercapto-7,8-dihydro-3H,6H-5-thia-1,3,4,8a-tetra...)
Show SMILES O=c1n2CCCSc2nc2[nH]c(=S)[nH]c12
Show InChI InChI=1S/C8H8N4OS2/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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PubMed
1.31E+5n/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))
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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n/an/a 115n/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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n/an/a 1.11E+3n/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))
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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n/an/a 1.92E+3n/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))
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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n/an/a 2.85E+3n/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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n/an/a 3.88E+3n/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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n/an/a 4.20E+3n/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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n/an/a 4.29E+3n/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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n/an/a 1.26E+4n/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))
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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n/an/a 2.55E+4n/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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n/an/a 2.83E+4n/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))
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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n/an/a 3.05E+4n/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))
BDBM50051742
PNG
(2-Phenyl-7,8-dihydro-3H,6H-5-thia-1,3,4,8a-tetraaz...)
Show SMILES O=c1n2CCCSc2nc2[nH]c(nc12)-c1ccccc1
Show InChI InChI=1S/C14H12N4OS/c19-13-10-12(17-14-18(13)7-4-8-20-14)16-11(15-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,15,16)
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n/an/a 3.65E+4n/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))
BDBM50051721
PNG
(CHEMBL85062 | N-(6-Oxo-6,9-dihydro-1H-purin-2-yl)-...)
Show SMILES CCCC(=O)Nc1nc2nc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C9H11N5O2/c1-2-3-5(15)12-9-13-7-6(8(16)14-9)10-4-11-7/h4H,2-3H2,1H3,(H3,10,11,12,13,14,15,16)
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n/an/a>1.00E+5n/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))
BDBM50051729
PNG
(6-Butyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one...)
Show SMILES CCCCc1nc2n[nH]cc2c(=O)[nH]1
Show InChI InChI=1S/C9H12N4O/c1-2-3-4-7-11-8-6(5-10-13-8)9(14)12-7/h5H,2-4H2,1H3,(H2,10,11,12,13,14)
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n/an/a>1.00E+5n/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))
BDBM50051745
PNG
(6-Pentyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-on...)
Show SMILES CCCCCc1nc2n[nH]cc2c(=O)[nH]1
Show InChI InChI=1S/C10H14N4O/c1-2-3-4-5-8-12-9-7(6-11-14-9)10(15)13-8/h6H,2-5H2,1H3,(H2,11,12,13,14,15)
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n/an/a>1.00E+5n/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))
BDBM50051735
PNG
(6-Ethyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one...)
Show SMILES CCc1nc2n[nH]cc2c(=O)[nH]1
Show InChI InChI=1S/C7H8N4O/c1-2-5-9-6-4(3-8-11-6)7(12)10-5/h3H,2H2,1H3,(H2,8,9,10,11,12)
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Article
PubMed
n/an/a>1.00E+5n/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))
BDBM50051744
PNG
(CHEMBL86132 | N-(4-Amino-2-hexylsulfanyl-6-oxo-1,6...)
Show SMILES CCCCCCSc1nc(N)c(NC=O)c(=O)[nH]1
Show InChI InChI=1S/C11H18N4O2S/c1-2-3-4-5-6-18-11-14-9(12)8(13-7-16)10(17)15-11/h7H,2-6H2,1H3,(H,13,16)(H3,12,14,15,17)
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Article
PubMed
n/an/a>1.00E+5n/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))
BDBM50051730
PNG
(6-Propyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-on...)
Show SMILES CCCc1nc2n[nH]cc2c(=O)[nH]1
Show InChI InChI=1S/C8H10N4O/c1-2-3-6-10-7-5(4-9-12-7)8(13)11-6/h4H,2-3H2,1H3,(H2,9,10,11,12,13)
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Article
PubMed
n/an/a>1.00E+5n/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))
BDBM50051720
PNG
(CHEMBL314120 | N-(4-Amino-2-butylsulfanyl-6-oxo-1,...)
Show SMILES CCCCSc1nc(N)c(NC=O)c(=O)[nH]1
Show InChI InChI=1S/C9H14N4O2S/c1-2-3-4-16-9-12-7(10)6(11-5-14)8(15)13-9/h5H,2-4H2,1H3,(H,11,14)(H3,10,12,13,15)
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Article
PubMed
n/an/a>1.00E+5n/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))
BDBM50051724
PNG
(CHEMBL83516 | N-(4-Amino-6-oxo-2-pentylsulfanyl-1,...)
Show SMILES CCCCCSc1nc(N)c(NC=O)c(=O)[nH]1
Show InChI InChI=1S/C10H16N4O2S/c1-2-3-4-5-17-10-13-8(11)7(12-6-15)9(16)14-10/h6H,2-5H2,1H3,(H,12,15)(H3,11,13,14,16)
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UniChem

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Article
PubMed
n/an/a>1.00E+5n/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
* indicates data uncertainty>20%