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Compile Data Set for Download or QSAR

Found 26 hits with Last Name = 'ayisha' and Initial = 'f'   
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


(Bos taurus (Bovine))
BDBM50333138
PNG
(2-((4-methoxyphenoxy)methyl)-7-methyl-5H-[1,3,4]th...)
Show SMILES COc1ccc(OCc2nn3c(nc(C)cc3=O)s2)cc1
Show InChI InChI=1S/C14H13N3O3S/c1-9-7-13(18)17-14(15-9)21-12(16-17)8-20-11-5-3-10(19-2)4-6-11/h3-7H,8H2,1-2H3
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n/an/a 269n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333138
PNG
(2-((4-methoxyphenoxy)methyl)-7-methyl-5H-[1,3,4]th...)
Show SMILES COc1ccc(OCc2nn3c(nc(C)cc3=O)s2)cc1
Show InChI InChI=1S/C14H13N3O3S/c1-9-7-13(18)17-14(15-9)21-12(16-17)8-20-11-5-3-10(19-2)4-6-11/h3-7H,8H2,1-2H3
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n/an/a 289n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50333141
PNG
(7-methyl-2-(o-tolyloxymethyl)-5H-[1,3,4]thiadiazol...)
Show SMILES Cc1cc(=O)n2nc(COc3ccccc3C)sc2n1
Show InChI InChI=1S/C14H13N3O2S/c1-9-5-3-4-6-11(9)19-8-12-16-17-13(18)7-10(2)15-14(17)20-12/h3-7H,8H2,1-2H3
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n/an/a 326n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333141
PNG
(7-methyl-2-(o-tolyloxymethyl)-5H-[1,3,4]thiadiazol...)
Show SMILES Cc1cc(=O)n2nc(COc3ccccc3C)sc2n1
Show InChI InChI=1S/C14H13N3O2S/c1-9-5-3-4-6-11(9)19-8-12-16-17-13(18)7-10(2)15-14(17)20-12/h3-7H,8H2,1-2H3
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n/an/a 362n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333140
PNG
(2-((2-bromophenoxy)methyl)-7-methyl-5H-[1,3,4]thia...)
Show SMILES Cc1cc(=O)n2nc(COc3ccccc3Br)sc2n1
Show InChI InChI=1S/C13H10BrN3O2S/c1-8-6-12(18)17-13(15-8)20-11(16-17)7-19-10-5-3-2-4-9(10)14/h2-6H,7H2,1H3
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n/an/a 413n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333139
PNG
(2-((4-chlorophenoxy)methyl)-7-methyl-5H-[1,3,4]thi...)
Show SMILES Cc1cc(=O)n2nc(COc3ccc(Cl)cc3)sc2n1
Show InChI InChI=1S/C13H10ClN3O2S/c1-8-6-12(18)17-13(15-8)20-11(16-17)7-19-10-4-2-9(14)3-5-10/h2-6H,7H2,1H3
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n/an/a 449n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50333139
PNG
(2-((4-chlorophenoxy)methyl)-7-methyl-5H-[1,3,4]thi...)
Show SMILES Cc1cc(=O)n2nc(COc3ccc(Cl)cc3)sc2n1
Show InChI InChI=1S/C13H10ClN3O2S/c1-8-6-12(18)17-13(15-8)20-11(16-17)7-19-10-4-2-9(14)3-5-10/h2-6H,7H2,1H3
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n/an/a 461n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333137
PNG
(7-methyl-2-(phenoxymethyl)-5H-[1,3,4]thiadiazolo[3...)
Show SMILES Cc1cc(=O)n2nc(COc3ccccc3)sc2n1
Show InChI InChI=1S/C13H11N3O2S/c1-9-7-12(17)16-13(14-9)19-11(15-16)8-18-10-5-3-2-4-6-10/h2-7H,8H2,1H3
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n/an/a 555n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333147
PNG
(2-((2-fluorophenoxy)methyl)-7-methyl-5H-[1,3,4]thi...)
Show SMILES Cc1cc(=O)n2nc(COc3ccccc3F)sc2n1
Show InChI InChI=1S/C13H10FN3O2S/c1-8-6-12(18)17-13(15-8)20-11(16-17)7-19-10-5-3-2-4-9(10)14/h2-6H,7H2,1H3
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n/an/a 590n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50333140
PNG
(2-((2-bromophenoxy)methyl)-7-methyl-5H-[1,3,4]thia...)
Show SMILES Cc1cc(=O)n2nc(COc3ccccc3Br)sc2n1
Show InChI InChI=1S/C13H10BrN3O2S/c1-8-6-12(18)17-13(15-8)20-11(16-17)7-19-10-5-3-2-4-9(10)14/h2-6H,7H2,1H3
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n/an/a 603n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333143
PNG
(2-((4-chloro-3-methylphenoxy)methyl)-7-methyl-5H-[...)
Show SMILES Cc1cc(=O)n2nc(COc3ccc(Cl)c(C)c3)sc2n1
Show InChI InChI=1S/C14H12ClN3O2S/c1-8-5-10(3-4-11(8)15)20-7-12-17-18-13(19)6-9(2)16-14(18)21-12/h3-6H,7H2,1-2H3
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n/an/a 623n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50333143
PNG
(2-((4-chloro-3-methylphenoxy)methyl)-7-methyl-5H-[...)
Show SMILES Cc1cc(=O)n2nc(COc3ccc(Cl)c(C)c3)sc2n1
Show InChI InChI=1S/C14H12ClN3O2S/c1-8-5-10(3-4-11(8)15)20-7-12-17-18-13(19)6-9(2)16-14(18)21-12/h3-6H,7H2,1-2H3
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n/an/a 634n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
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 730n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
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 753n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333133
PNG
(7-methyl-2-(p-tolyloxymethyl)-5H-[1,3,4]thiadiazol...)
Show SMILES Cc1ccc(OCc2nn3c(nc(C)cc3=O)s2)cc1
Show InChI InChI=1S/C14H13N3O2S/c1-9-3-5-11(6-4-9)19-8-12-16-17-13(18)7-10(2)15-14(17)20-12/h3-7H,8H2,1-2H3
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n/an/a 1.02E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50333144
PNG
(7-methyl-2-(m-tolyloxymethyl)-5H-[1,3,4]thiadiazol...)
Show SMILES Cc1cccc(OCc2nn3c(nc(C)cc3=O)s2)c1
Show InChI InChI=1S/C14H13N3O2S/c1-9-4-3-5-11(6-9)19-8-12-16-17-13(18)7-10(2)15-14(17)20-12/h3-7H,8H2,1-2H3
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n/an/a 1.03E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333144
PNG
(7-methyl-2-(m-tolyloxymethyl)-5H-[1,3,4]thiadiazol...)
Show SMILES Cc1cccc(OCc2nn3c(nc(C)cc3=O)s2)c1
Show InChI InChI=1S/C14H13N3O2S/c1-9-4-3-5-11(6-9)19-8-12-16-17-13(18)7-10(2)15-14(17)20-12/h3-7H,8H2,1-2H3
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n/an/a 1.07E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50333142
PNG
(2-((2-chlorophenoxy)methyl)-7-methyl-5H-[1,3,4]thi...)
Show SMILES Cc1cc(=O)n2nc(COc3ccccc3Cl)sc2n1
Show InChI InChI=1S/C13H10ClN3O2S/c1-8-6-12(18)17-13(15-8)20-11(16-17)7-19-10-5-3-2-4-9(10)14/h2-6H,7H2,1H3
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n/an/a 1.65E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333146
PNG
(2-((2,4-dimethylphenoxy)methyl)-7-methyl-5H-[1,3,4...)
Show SMILES Cc1ccc(OCc2nn3c(nc(C)cc3=O)s2)c(C)c1
Show InChI InChI=1S/C15H15N3O2S/c1-9-4-5-12(10(2)6-9)20-8-13-17-18-14(19)7-11(3)16-15(18)21-13/h4-7H,8H2,1-3H3
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n/an/a 1.76E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50333146
PNG
(2-((2,4-dimethylphenoxy)methyl)-7-methyl-5H-[1,3,4...)
Show SMILES Cc1ccc(OCc2nn3c(nc(C)cc3=O)s2)c(C)c1
Show InChI InChI=1S/C15H15N3O2S/c1-9-4-5-12(10(2)6-9)20-8-13-17-18-14(19)7-11(3)16-15(18)21-13/h4-7H,8H2,1-3H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333142
PNG
(2-((2-chlorophenoxy)methyl)-7-methyl-5H-[1,3,4]thi...)
Show SMILES Cc1cc(=O)n2nc(COc3ccccc3Cl)sc2n1
Show InChI InChI=1S/C13H10ClN3O2S/c1-8-6-12(18)17-13(15-8)20-11(16-17)7-19-10-5-3-2-4-9(10)14/h2-6H,7H2,1H3
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n/an/a 1.83E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333136
PNG
(2-((3-fluorophenoxy)methyl)-7-methyl-5H-[1,3,4]thi...)
Show SMILES Cc1cc(=O)n2nc(COc3cccc(F)c3)sc2n1
Show InChI InChI=1S/C13H10FN3O2S/c1-8-5-12(18)17-13(15-8)20-11(16-17)7-19-10-4-2-3-9(14)6-10/h2-6H,7H2,1H3
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n/an/a 1.98E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333145
PNG
(7-methyl-2-((4-nitrophenoxy)methyl)-5H-[1,3,4]thia...)
Show SMILES Cc1cc(=O)n2nc(COc3ccc(cc3)[N+]([O-])=O)sc2n1
Show InChI InChI=1S/C13H10N4O4S/c1-8-6-12(18)16-13(14-8)22-11(15-16)7-21-10-4-2-9(3-5-10)17(19)20/h2-6H,7H2,1H3
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PubMed
n/an/a 2.03E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50333145
PNG
(7-methyl-2-((4-nitrophenoxy)methyl)-5H-[1,3,4]thia...)
Show SMILES Cc1cc(=O)n2nc(COc3ccc(cc3)[N+]([O-])=O)sc2n1
Show InChI InChI=1S/C13H10N4O4S/c1-8-6-12(18)16-13(14-8)22-11(15-16)7-21-10-4-2-9(3-5-10)17(19)20/h2-6H,7H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333135
PNG
(2-((3-bromophenoxy)methyl)-7-methyl-5H-[1,3,4]thia...)
Show SMILES Cc1cc(=O)n2nc(COc3cccc(Br)c3)sc2n1
Show InChI InChI=1S/C13H10BrN3O2S/c1-8-5-12(18)17-13(15-8)20-11(16-17)7-19-10-4-2-3-9(14)6-10/h2-6H,7H2,1H3
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n/an/a 2.56E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333134
PNG
(2-((3-chlorophenoxy)methyl)-7-methyl-5H-[1,3,4]thi...)
Show SMILES Cc1cc(=O)n2nc(COc3cccc(Cl)c3)sc2n1
Show InChI InChI=1S/C13H10ClN3O2S/c1-8-5-12(18)17-13(15-8)20-11(16-17)7-19-10-4-2-3-9(14)6-10/h2-6H,7H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 6.18E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair