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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'Xanthine dehydrogenase' and Ligand = 'BDBM35440'   
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


(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 260n/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Xanthine oxidase


Bioorg Med Chem Lett 11: 879-82 (2001)


BindingDB Entry DOI: 10.7270/Q2251HFC
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(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


(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 1.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cow milk xanthine oxidase


J Nat Prod 52: 210-211 (1989)


Article DOI: 10.1021/np50061a035
BindingDB Entry DOI: 10.7270/Q24749W5
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(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 2.30E+3n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(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 4.20E+3n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 23: 834-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.057
BindingDB Entry DOI: 10.7270/Q28W3FMN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(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 5.50E+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))
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 5.70E+3n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as uric acid formation using xanthine as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem 20: 2930-9 (2012)


Article DOI: 10.1016/j.bmc.2012.03.019
BindingDB Entry DOI: 10.7270/Q2Z320NM
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(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 7.50E+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))
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 8.30E+3n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidase assessed as decrease of uric acid formation preincubated for 5 mins by UV-visible spectrophotometric analy...


Bioorg Med Chem 19: 5569-76 (2011)


Article DOI: 10.1016/j.bmc.2011.07.039
BindingDB Entry DOI: 10.7270/Q22R3S2C
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(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 8.30E+3n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(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 8.50E+3n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XO assessed as decrease in uric acid formation after 5 mins by UV-spectrophotometric analysis


Bioorg Med Chem 20: 5649-57 (2012)


Article DOI: 10.1016/j.bmc.2012.07.001
BindingDB Entry DOI: 10.7270/Q24X5934
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(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 1.11E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidase using xanthine as substrate assessed as decrease in uric acid formation preincubated for 5 mins


Bioorg Med Chem Lett 24: 495-500 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.031
BindingDB Entry DOI: 10.7270/Q22R3T37
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(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 1.12E+4n/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase using xanthine as substrate measured for 6 mins at 25 degC by spectrophotometry


Eur J Med Chem 75: 289-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.058
BindingDB Entry DOI: 10.7270/Q2F76F2M
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(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 3.16E+4n/an/an/an/a7.525



Central University of Punjab



Assay Description
The reaction mixture contained 1.5 mL of 50 mM potassium phosphate buffer (pH 7.5), 1 mL test sample solutions (5, 10, 25, 50, and 100 µM) was d...


Bioorg Chem 57: 57-64 (2014)


Article DOI: 10.1016/j.bioorg.2014.08.007
BindingDB Entry DOI: 10.7270/Q22Z146M
More data for this
Ligand-Target Pair