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PubMed code 28545814

Compile data set for download or QSAR
Found 19 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


(Bos taurus (Bovine))
BDBM50253763
PNG
(CHEMBL4067565)
Show SMILES COc1ccc(\C=C2/Oc3cc(OCC(O)=O)ccc3C2=O)c(OC)c1
Show InChI InChI=1S/C19H16O7/c1-23-12-4-3-11(15(8-12)24-2)7-17-19(22)14-6-5-13(9-16(14)26-17)25-10-18(20)21/h3-9H,10H2,1-2H3,(H,20,21)/b17-7-
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2.90n/an/an/an/an/an/an/an/a



National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-inhibitor complex using varying levels of xanthine as substrate by Line-weav...


Bioorg Med Chem 25: 3606-3613 (2017)


Article DOI: 10.1016/j.bmc.2017.04.048
BindingDB Entry DOI: 10.7270/Q22R3V3N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50253763
PNG
(CHEMBL4067565)
Show SMILES COc1ccc(\C=C2/Oc3cc(OCC(O)=O)ccc3C2=O)c(OC)c1
Show InChI InChI=1S/C19H16O7/c1-23-12-4-3-11(15(8-12)24-2)7-17-19(22)14-6-5-13(9-16(14)26-17)25-10-18(20)21/h3-9H,10H2,1-2H3,(H,20,21)/b17-7-
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34n/an/an/an/an/an/an/an/a



National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...


Bioorg Med Chem 25: 3606-3613 (2017)


Article DOI: 10.1016/j.bmc.2017.04.048
BindingDB Entry DOI: 10.7270/Q22R3V3N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50253764
PNG
(CHEMBL4078467)
Show SMILES CC(=C)COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H16O5/c1-12(2)11-24-15-7-8-16-17(10-15)25-18(19(16)21)9-13-3-5-14(6-4-13)20(22)23/h3-10H,1,11H2,2H3,(H,22,23)/b18-9-
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128n/an/an/an/an/an/an/an/a



National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-inhibitor complex using varying levels of xanthine as substrate by Line-weav...


Bioorg Med Chem 25: 3606-3613 (2017)


Article DOI: 10.1016/j.bmc.2017.04.048
BindingDB Entry DOI: 10.7270/Q22R3V3N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50253764
PNG
(CHEMBL4078467)
Show SMILES CC(=C)COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H16O5/c1-12(2)11-24-15-7-8-16-17(10-15)25-18(19(16)21)9-13-3-5-14(6-4-13)20(22)23/h3-10H,1,11H2,2H3,(H,22,23)/b18-9-
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1.20E+3n/an/an/an/an/an/an/an/a



National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...


Bioorg Med Chem 25: 3606-3613 (2017)


Article DOI: 10.1016/j.bmc.2017.04.048
BindingDB Entry DOI: 10.7270/Q22R3V3N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50320491
PNG
(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O
Show InChI InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)
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PubMed
n/an/a 10n/an/an/an/an/an/a



National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...


Bioorg Med Chem 25: 3606-3613 (2017)


Article DOI: 10.1016/j.bmc.2017.04.048
BindingDB Entry DOI: 10.7270/Q22R3V3N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50253764
PNG
(CHEMBL4078467)
Show SMILES CC(=C)COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H16O5/c1-12(2)11-24-15-7-8-16-17(10-15)25-18(19(16)21)9-13-3-5-14(6-4-13)20(22)23/h3-10H,1,11H2,2H3,(H,22,23)/b18-9-
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n/an/a 46n/an/an/an/an/an/a



National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine-oxidase using xanthine as substrate after 5 mins by spectrophotometric method


Bioorg Med Chem 25: 3606-3613 (2017)


Article DOI: 10.1016/j.bmc.2017.04.048
BindingDB Entry DOI: 10.7270/Q22R3V3N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50253766
PNG
(CHEMBL4102721)
Show SMILES OC(=O)c1ccc(\C=C2/Oc3cc(OCc4ccccc4)ccc3C2=O)cc1
Show InChI InChI=1S/C23H16O5/c24-22-19-11-10-18(27-14-16-4-2-1-3-5-16)13-20(19)28-21(22)12-15-6-8-17(9-7-15)23(25)26/h1-13H,14H2,(H,25,26)/b21-12-
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n/an/a 61n/an/an/an/an/an/a



National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...


Bioorg Med Chem 25: 3606-3613 (2017)


Article DOI: 10.1016/j.bmc.2017.04.048
BindingDB Entry DOI: 10.7270/Q22R3V3N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50253837
PNG
(CHEMBL4086326)
Show SMILES Cc1ccc(C)c(COc2ccc3C(=O)\C(Oc3c2)=C\c2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C25H20O5/c1-15-3-4-16(2)19(11-15)14-29-20-9-10-21-22(13-20)30-23(24(21)26)12-17-5-7-18(8-6-17)25(27)28/h3-13H,14H2,1-2H3,(H,27,28)/b23-12-
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n/an/a 62n/an/an/an/an/an/a



National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...


Bioorg Med Chem 25: 3606-3613 (2017)


Article DOI: 10.1016/j.bmc.2017.04.048
BindingDB Entry DOI: 10.7270/Q22R3V3N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50253840
PNG
(CHEMBL4066914)
Show SMILES OC(=O)c1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1
Show InChI InChI=1S/C16H10O5/c17-11-5-6-12-13(8-11)21-14(15(12)18)7-9-1-3-10(4-2-9)16(19)20/h1-8,17H,(H,19,20)/b14-7-
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n/an/a 68n/an/an/an/an/an/a



National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...


Bioorg Med Chem 25: 3606-3613 (2017)


Article DOI: 10.1016/j.bmc.2017.04.048
BindingDB Entry DOI: 10.7270/Q22R3V3N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50253765
PNG
(CHEMBL4064851)
Show SMILES OC(=O)c1ccc(\C=C2/Oc3cc(OCc4cccc5ccccc45)ccc3C2=O)cc1
Show InChI InChI=1S/C27H18O5/c28-26-23-13-12-21(31-16-20-6-3-5-18-4-1-2-7-22(18)20)15-24(23)32-25(26)14-17-8-10-19(11-9-17)27(29)30/h1-15H,16H2,(H,29,30)/b25-14-
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n/an/a 69n/an/an/an/an/an/a



National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...


Bioorg Med Chem 25: 3606-3613 (2017)


Article DOI: 10.1016/j.bmc.2017.04.048
BindingDB Entry DOI: 10.7270/Q22R3V3N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50253838
PNG
(CHEMBL4094987)
Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C17H12O5/c1-21-12-6-7-13-14(9-12)22-15(16(13)18)8-10-2-4-11(5-3-10)17(19)20/h2-9H,1H3,(H,19,20)/b15-8-
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n/an/a 80n/an/an/an/an/an/a



National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...


Bioorg Med Chem 25: 3606-3613 (2017)


Article DOI: 10.1016/j.bmc.2017.04.048
BindingDB Entry DOI: 10.7270/Q22R3V3N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50253799
PNG
(CHEMBL4097460)
Show SMILES OC(=O)COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H12O7/c19-16(20)9-24-12-5-6-13-14(8-12)25-15(17(13)21)7-10-1-3-11(4-2-10)18(22)23/h1-8H,9H2,(H,19,20)(H,22,23)/b15-7-
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n/an/a 150n/an/an/an/an/an/a



National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...


Bioorg Med Chem 25: 3606-3613 (2017)


Article DOI: 10.1016/j.bmc.2017.04.048
BindingDB Entry DOI: 10.7270/Q22R3V3N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50253800
PNG
(CHEMBL4093490)
Show SMILES OC(=O)COc1ccc2C(=O)\C(Oc2c1)=C\c1ccccc1Cl
Show InChI InChI=1S/C17H11ClO5/c18-13-4-2-1-3-10(13)7-15-17(21)12-6-5-11(8-14(12)23-15)22-9-16(19)20/h1-8H,9H2,(H,19,20)/b15-7-
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n/an/a 1.23E+3n/an/an/an/an/an/a



National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...


Bioorg Med Chem 25: 3606-3613 (2017)


Article DOI: 10.1016/j.bmc.2017.04.048
BindingDB Entry DOI: 10.7270/Q22R3V3N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50253763
PNG
(CHEMBL4067565)
Show SMILES COc1ccc(\C=C2/Oc3cc(OCC(O)=O)ccc3C2=O)c(OC)c1
Show InChI InChI=1S/C19H16O7/c1-23-12-4-3-11(15(8-12)24-2)7-17-19(22)14-6-5-13(9-16(14)26-17)25-10-18(20)21/h3-9H,10H2,1-2H3,(H,20,21)/b17-7-
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n/an/a 1.27E+3n/an/an/an/an/an/a



National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine-oxidase using xanthine as substrate after 5 mins by spectrophotometric method


Bioorg Med Chem 25: 3606-3613 (2017)


Article DOI: 10.1016/j.bmc.2017.04.048
BindingDB Entry DOI: 10.7270/Q22R3V3N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50253839
PNG
(CHEMBL4079426)
Show SMILES COc1ccccc1\C=C1/Oc2cc(OCC(O)=O)ccc2C1=O
Show InChI InChI=1S/C18H14O6/c1-22-14-5-3-2-4-11(14)8-16-18(21)13-7-6-12(9-15(13)24-16)23-10-17(19)20/h2-9H,10H2,1H3,(H,19,20)/b16-8-
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n/an/a 1.30E+3n/an/an/an/an/an/a



National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...


Bioorg Med Chem 25: 3606-3613 (2017)


Article DOI: 10.1016/j.bmc.2017.04.048
BindingDB Entry DOI: 10.7270/Q22R3V3N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50253798
PNG
(CHEMBL4105165)
Show SMILES COc1ccc(\C=C2/Oc3cc(OCC(O)=O)ccc3C2=O)cc1
Show InChI InChI=1S/C18H14O6/c1-22-12-4-2-11(3-5-12)8-16-18(21)14-7-6-13(9-15(14)24-16)23-10-17(19)20/h2-9H,10H2,1H3,(H,19,20)/b16-8-
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n/an/a 1.57E+3n/an/an/an/an/an/a



National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...


Bioorg Med Chem 25: 3606-3613 (2017)


Article DOI: 10.1016/j.bmc.2017.04.048
BindingDB Entry DOI: 10.7270/Q22R3V3N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
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n/an/a 3.10E+3n/an/an/an/an/an/a



National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...


Bioorg Med Chem 25: 3606-3613 (2017)


Article DOI: 10.1016/j.bmc.2017.04.048
BindingDB Entry DOI: 10.7270/Q22R3V3N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50253767
PNG
(CHEMBL4087307)
Show SMILES OC(=O)COc1ccc2C(=O)\C(Oc2c1)=C\c1ccccc1C(O)=O
Show InChI InChI=1S/C18H12O7/c19-16(20)9-24-11-5-6-13-14(8-11)25-15(17(13)21)7-10-3-1-2-4-12(10)18(22)23/h1-8H,9H2,(H,19,20)(H,22,23)/b15-7-
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n/an/a 3.84E+3n/an/an/an/an/an/a



National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...


Bioorg Med Chem 25: 3606-3613 (2017)


Article DOI: 10.1016/j.bmc.2017.04.048
BindingDB Entry DOI: 10.7270/Q22R3V3N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50253801
PNG
(CHEMBL4072779)
Show SMILES OC(=O)COc1ccc2C(=O)\C(Oc2c1)=C\c1ccccc1
Show InChI InChI=1S/C17H12O5/c18-16(19)10-21-12-6-7-13-14(9-12)22-15(17(13)20)8-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19)/b15-8-
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n/an/a 4.47E+3n/an/an/an/an/an/a



National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...


Bioorg Med Chem 25: 3606-3613 (2017)


Article DOI: 10.1016/j.bmc.2017.04.048
BindingDB Entry DOI: 10.7270/Q22R3V3N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%