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There are 65 purchasable compounds for target: Xanthine oxidase (XO)

Compile data set for download or QSAR
Wt: 164.1
BDBM4374
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Wt: 286.2
BDBM7459
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Wt: 302.2
BDBM7460
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Wt: 286.2
BDBM23411
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Wt: 284.2
BDBM23415
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Wt: 138.1
BDBM26193
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Wt: 316.3
BDBM61780
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Wt: 170.1
BDBM108031
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Wt: 353.2
BDBM106761
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Wt: 316.3
BDBM106765
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Wt: 316.3
BDBM106766
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Wt: 284.3
BDBM106769
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Wt: 344.4
BDBM106773
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Wt: 270.2
BDBM50009001
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Wt: 164.1
BDBM50028121
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Displayed 1 to 15 (of 65 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 4374,7459,7460,23411,23415,26193,61780,108031,106761,106765,106766,106769,106773,50009001,50028121   
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


(Bos taurus (Bovine))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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1.20E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase


J Nat Prod 72: 725-31 (2009)


Article DOI: 10.1021/np8007123
BindingDB Entry DOI: 10.7270/Q26D5T1W
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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1.90E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase


J Nat Prod 72: 725-31 (2009)


Article DOI: 10.1021/np8007123
BindingDB Entry DOI: 10.7270/Q26D5T1W
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


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



TBA

Curated by ChEMBL


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


J Med Chem 27: 981-5 (1984)


Article DOI: 10.1021/jm00374a008
BindingDB Entry DOI: 10.7270/Q2R211ZG
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM26193
PNG
(2-Hydroxybenzoate, I | 2-hydroxybenzoic acid | CHE...)
Show SMILES OC(=O)c1ccccc1O
Show InChI InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
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1.00E+8n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Reversible inhibition of bovine xanthine oxidase


Bioorg Med Chem Lett 24: 1315-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.050
BindingDB Entry DOI: 10.7270/Q2V69M3N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM106773
PNG
(2‐(4‐methoxyphenyl)‐1‐[(4&...)
Show SMILES COc1ccc(Cn2c(nc3ccccc23)-c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C22H20N2O2/c1-25-18-11-7-16(8-12-18)15-24-21-6-4-3-5-20(21)23-22(24)17-9-13-19(26-2)14-10-17/h3-14H,15H2,1-2H3
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n/an/a 8.50E+3n/an/an/an/a7.625



Konkuk University



Assay Description
Bovine milk XO activity was assayed spectrophotometrically by measuring the uric acid formation at 293 nm using a UV-visible spectrophotometer at 25&...


Chem Biol Drug Des 82: 290-5 (2013)


Article DOI: 10.1111/cbdd.12141
BindingDB Entry DOI: 10.7270/Q2TM78SJ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM108031
PNG
(2,4,6-trihydroxybenzoic acid (M3))
Show SMILES OC(=O)c1c(O)cc(O)cc1O
Show InChI InChI=1S/C7H6O5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H,(H,11,12)
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n/an/a 6.50E+3n/an/an/an/a7.625



SRTM University, Nanded, Maharashtra, 431606, India; Department of Molecular Biotechnology, College of Life and Environmental Sciences, Konkuk University, Seoul, 143-701, South Korea.



Assay Description
Inhibition of xanthine oxidase (XO) by each isolated phenolics was measured by following the decrease in the uric acid formation at 293nm at 25°...


Chem Biol Drug Des 83: 119-25 (2014)


Article DOI: 10.1111/cbdd.12205
BindingDB Entry DOI: 10.7270/Q2Z89B2H
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM4374
PNG
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
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n/an/a 6.80E+3n/an/an/an/a7.625



SRTM University, Nanded, Maharashtra, 431606, India; Department of Molecular Biotechnology, College of Life and Environmental Sciences, Konkuk University, Seoul, 143-701, South Korea.



Assay Description
Inhibition of xanthine oxidase (XO) by each isolated phenolics was measured by following the decrease in the uric acid formation at 293nm at 25°...


Chem Biol Drug Des 83: 119-25 (2014)


Article DOI: 10.1111/cbdd.12205
BindingDB Entry DOI: 10.7270/Q2Z89B2H
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM23415
PNG
(5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
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n/an/a 1.41E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cow milk xanthine oxidase


J Nat Prod 51: 345-348 (1988)


Article DOI: 10.1021/np50056a030
BindingDB Entry DOI: 10.7270/Q2DJ5FNN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50009001
PNG
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
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n/an/a 3.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cow milk xanthine oxidase


J Nat Prod 51: 345-348 (1988)


Article DOI: 10.1021/np50056a030
BindingDB Entry DOI: 10.7270/Q2DJ5FNN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM23411
PNG
(5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H
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n/an/a 1.26E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cow milk xanthine oxidase


J Nat Prod 51: 345-348 (1988)


Article DOI: 10.1021/np50056a030
BindingDB Entry DOI: 10.7270/Q2DJ5FNN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM106769
PNG
(1‐benzyl‐2‐phenyl‐1,3̴...)
Show SMILES C(c1ccccc1)n1c(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H16N2/c1-3-9-16(10-4-1)15-22-19-14-8-7-13-18(19)21-20(22)17-11-5-2-6-12-17/h1-14H,15H2
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n/an/a 9.70E+3n/an/an/an/a7.625



Konkuk University



Assay Description
Bovine milk XO activity was assayed spectrophotometrically by measuring the uric acid formation at 293 nm using a UV-visible spectrophotometer at 25&...


Chem Biol Drug Des 82: 290-5 (2013)


Article DOI: 10.1111/cbdd.12141
BindingDB Entry DOI: 10.7270/Q2TM78SJ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM106766
PNG
(3‐{1‐[(3‐hydroxyphenyl)methyl]&#...)
Show SMILES Oc1cccc(Cn2c(nc3ccccc23)-c2cccc(O)c2)c1
Show InChI InChI=1S/C20H16N2O2/c23-16-7-3-5-14(11-16)13-22-19-10-2-1-9-18(19)21-20(22)15-6-4-8-17(24)12-15/h1-12,23-24H,13H2
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n/an/a 5.80E+3n/an/an/an/a7.625



Konkuk University



Assay Description
Bovine milk XO activity was assayed spectrophotometrically by measuring the uric acid formation at 293 nm using a UV-visible spectrophotometer at 25&...


Chem Biol Drug Des 82: 290-5 (2013)


Article DOI: 10.1111/cbdd.12141
BindingDB Entry DOI: 10.7270/Q2TM78SJ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM106765
PNG
(4‐{1‐[(4‐hydroxyphenyl)methyl]&#...)
Show SMILES Oc1ccc(Cn2c(nc3ccccc23)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H16N2O2/c23-16-9-5-14(6-10-16)13-22-19-4-2-1-3-18(19)21-20(22)15-7-11-17(24)12-8-15/h1-12,23-24H,13H2
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n/an/a 4.50E+3n/an/an/an/a7.625



Konkuk University



Assay Description
Bovine milk XO activity was assayed spectrophotometrically by measuring the uric acid formation at 293 nm using a UV-visible spectrophotometer at 25&...


Chem Biol Drug Des 82: 290-5 (2013)


Article DOI: 10.1111/cbdd.12141
BindingDB Entry DOI: 10.7270/Q2TM78SJ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM61780
PNG
((6E)-6-(3-salicyl-1H-benzimidazol-2-ylidene)cycloh...)
Show SMILES Oc1ccccc1Cn1c(nc2ccccc12)-c1ccccc1O
Show InChI InChI=1S/C20H16N2O2/c23-18-11-5-1-7-14(18)13-22-17-10-4-3-9-16(17)21-20(22)15-8-2-6-12-19(15)24/h1-12,23-24H,13H2
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n/an/a 8.70E+3n/an/an/an/a7.625



Konkuk University



Assay Description
Bovine milk XO activity was assayed spectrophotometrically by measuring the uric acid formation at 293 nm using a UV-visible spectrophotometer at 25&...


Chem Biol Drug Des 82: 290-5 (2013)


Article DOI: 10.1111/cbdd.12141
BindingDB Entry DOI: 10.7270/Q2TM78SJ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM106761
PNG
(2‐(4‐chlorophenyl)‐1‐[(4&#...)
Show SMILES Clc1ccc(Cn2c(nc3ccccc23)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H14Cl2N2/c21-16-9-5-14(6-10-16)13-24-19-4-2-1-3-18(19)23-20(24)15-7-11-17(22)12-8-15/h1-12H,13H2
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n/an/a 6.30E+3n/an/an/an/a7.625



Konkuk University



Assay Description
Bovine milk XO activity was assayed spectrophotometrically by measuring the uric acid formation at 293 nm using a UV-visible spectrophotometer at 25&...


Chem Biol Drug Des 82: 290-5 (2013)


Article DOI: 10.1111/cbdd.12141
BindingDB Entry DOI: 10.7270/Q2TM78SJ
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 5 hits for monomerid = 4374,7459,7460,23411,23415,26193,61780,108031,106761,106765,106766,106769,106773,50009001,50028121
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM7460
JPEG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Serine/threonine-protein kinase PIM

(Homo sapiens (Human))
CHEBI
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-9.78-0.257-9.587.597.510



Oxford University





J Med Chem 48: 7604-14 (2005)

Transcriptional Regulator TtgR

(Pseudomonas putida)
BDBM7460
JPEG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
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-8.080.840-8.925.83730



Estacion Experimental del Zaidin





J Biol Chem 281: 7102-9 (2006)

Transcriptional Regulator TtgR

(Pseudomonas putida)
BDBM7460
JPEG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
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-7.40-2.66-4.745.34730



Estacion Experimental del Zaidin





J Biol Chem 281: 7102-9 (2006)

Transcriptional Regulator TtgR

(Pseudomonas putida)
BDBM7459
JPEG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
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-7.12-4.08-3.055.14730



Estacion Experimental del Zaidin





J Biol Chem 281: 7102-9 (2006)

Transcriptional Regulator TtgR-DNA

(Pseudomonas putida)
BDBM7460
JPEG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
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-7.94-2.82-5.125.73730



Estacion Experimental del Zaidin





J Biol Chem 281: 7102-9 (2006)