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PubMed code 26022844

Compile data set for download or QSAR
Found 20 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))		BDBM50098349
PNG
(CHEMBL3594383)
Show SMILES OC(=O)CCCCCCOc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C10H12N2S/c1-2-8-5-13-6-9(8)3-10-4-11-7-12-10/h4-7H,2-3H2,1H3,(H,11,12)
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n/an/a 98n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...

Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50098332
PNG
(CHEMBL3594381)
Show SMILES OC(=O)CCCCOc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C10H12N2S/c1-7-3-9(8(2)13-7)4-10-5-11-6-12-10/h3,5-6H,4H2,1-2H3,(H,11,12)
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n/an/a 220n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...

Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50098348
PNG
(CHEMBL3594384)
Show SMILES OC(=O)CCCCCCCOc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C10H12N2S/c1-2-10-8(3-4-13-10)5-9-6-11-7-12-9/h3-4,6-7H,2,5H2,1H3,(H,11,12)
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n/an/a 250n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...

Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50098331
PNG
(CHEMBL3594382)
Show SMILES OC(=O)CCCCCOc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C12H16N2S/c1-3-11-6-9(12(4-2)15-11)5-10-7-13-8-14-10/h6-8H,3-5H2,1-2H3,(H,13,14)
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n/an/a 320n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...

Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50098333
PNG
(CHEMBL3594380)
Show SMILES OC(=O)CCCOc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C12H10N2S/c1-2-4-12-11(3-1)9(7-15-12)5-10-6-13-8-14-10/h1-4,6-8H,5H2,(H,13,14)
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n/an/a 600n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...

Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50098335
PNG
(CHEMBL3594379)
Show SMILES OC(=O)COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C10H12N2S/c1-7-5-13-10(8(7)2)3-9-4-11-6-12-9/h4-6H,3H2,1-2H3,(H,11,12)
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n/an/a 820n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...

Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
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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n/an/a 2.90E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...

Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
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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n/an/a 3.20E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...

Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50098339
PNG
(CHEMBL3594375)
Show SMILES OC(=O)CCCCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)cc1
Show InChI InChI=1S/C20H18O7/c21-13-6-4-12(5-7-13)17-11-16(23)20-15(22)9-14(10-18(20)27-17)26-8-2-1-3-19(24)25/h4-7,9-11,21-22H,1-3,8H2,(H,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...

Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50098342
PNG
(CHEMBL3594390)
Show SMILES OC(=O)CCCCCCCOc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)cc1
Show InChI InChI=1S/C23H24O7/c24-16-9-7-15(8-10-16)19-14-18(26)23-20(12-17(25)13-21(23)30-19)29-11-5-3-1-2-4-6-22(27)28/h7-10,12-14,24-25H,1-6,11H2,(H,27,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...

Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50098347
PNG
(CHEMBL3594385)
Show SMILES OC(=O)COc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)cc1
Show InChI InChI=1S/C12H14N2S/c1-2-4-12-9(3-1)5-11(15-12)6-10-7-13-8-14-10/h5,7-8H,1-4,6H2,(H,13,14)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...

Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50098337
PNG
(CHEMBL3594377)
Show SMILES OC(=O)CCCCCCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)cc1
Show InChI InChI=1S/C8H7BrN2S/c9-7-1-2-12-8(7)3-6-4-10-5-11-6/h1-2,4-5H,3H2,(H,10,11)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...

Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50098344
PNG
(CHEMBL3594388)
Show SMILES OC(=O)CCCCCOc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)cc1
Show InChI InChI=1S/C21H20O7/c22-14-7-5-13(6-8-14)17-12-16(24)21-18(10-15(23)11-19(21)28-17)27-9-3-1-2-4-20(25)26/h5-8,10-12,22-23H,1-4,9H2,(H,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...

Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50098340
PNG
(CHEMBL3594374)
Show SMILES OC(=O)CCCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)cc1
Show InChI InChI=1S/C8H6Cl2N2S/c9-7-2-5(8(10)13-7)1-6-3-11-4-12-6/h2-4H,1H2,(H,11,12)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...

Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50098343
PNG
(CHEMBL3594389)
Show SMILES OC(=O)CCCCCCOc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)cc1
Show InChI InChI=1S/C22H22O7/c23-15-8-6-14(7-9-15)18-13-17(25)22-19(11-16(24)12-20(22)29-18)28-10-4-2-1-3-5-21(26)27/h6-9,11-13,23-24H,1-5,10H2,(H,26,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...

Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50098341
PNG
(CHEMBL3594373)
Show SMILES OC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)cc1
Show InChI InChI=1S/C9H10N2S/c1-7-8(2-3-12-7)4-9-5-10-6-11-9/h2-3,5-6H,4H2,1H3,(H,10,11)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...

Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50098336
PNG
(CHEMBL3594378)
Show SMILES OC(=O)CCCCCCCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)cc1
Show InChI InChI=1S/C10H12N2S/c1-7-5-13-8(2)10(7)3-9-4-11-6-12-9/h4-6H,3H2,1-2H3,(H,11,12)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...

Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50098345
PNG
(CHEMBL3594387)
Show SMILES OC(=O)CCCCOc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)cc1
Show InChI InChI=1S/C8H8N2S/c1-2-11-5-7(1)3-8-4-9-6-10-8/h1-2,4-6H,3H2,(H,9,10)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...

Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50098346
PNG
(CHEMBL3594386)
Show SMILES OC(=O)CCCOc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)cc1
Show InChI InChI=1S/C9H10N2S/c1-7-4-12-5-8(7)2-9-3-10-6-11-9/h3-6H,2H2,1H3,(H,10,11)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...

Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50098338
PNG
(CHEMBL3594376)
Show SMILES OC(=O)CCCCCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)cc1
Show InChI InChI=1S/C21H20O7/c22-14-7-5-13(6-8-14)18-12-17(24)21-16(23)10-15(11-19(21)28-18)27-9-3-1-2-4-20(25)26/h5-8,10-12,22-23H,1-4,9H2,(H,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...

Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%