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PubMed code 26363870

Compile data set for download or QSAR
Found 32 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))		BDBM50127441
PNG
(CHEMBL3628191)
Show SMILES CCC(C)Oc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
Show InChI InChI=1S/C16H17N3O4/c1-4-9(2)23-13-6-5-11(7-12(13)8-17)15-18-10(3)14(16(20)21)19(15)22/h5-7,9,22H,4H2,1-3H3,(H,20,21)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127486
PNG
(CHEMBL3628190)
Show SMILES CCCCOc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
Show InChI InChI=1S/C16H17N3O4/c1-3-4-7-23-13-6-5-11(8-12(13)9-17)15-18-10(2)14(16(20)21)19(15)22/h5-6,8,22H,3-4,7H2,1-2H3,(H,20,21)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127441
PNG
(CHEMBL3628191)
Show SMILES CCC(C)Oc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
Show InChI InChI=1S/C16H17N3O4/c1-4-9(2)23-13-6-5-11(7-12(13)8-17)15-18-10(3)14(16(20)21)19(15)22/h5-7,9,22H,4H2,1-3H3,(H,20,21)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127486
PNG
(CHEMBL3628190)
Show SMILES CCCCOc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
Show InChI InChI=1S/C16H17N3O4/c1-3-4-7-23-13-6-5-11(8-12(13)9-17)15-18-10(2)14(16(20)21)19(15)22/h5-6,8,22H,3-4,7H2,1-2H3,(H,20,21)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127487
PNG
(CHEMBL3628192)
Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
Show InChI InChI=1S/C16H17N3O4/c1-9(2)8-23-13-5-4-11(6-12(13)7-17)15-18-10(3)14(16(20)21)19(15)22/h4-6,9,22H,8H2,1-3H3,(H,20,21)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127487
PNG
(CHEMBL3628192)
Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
Show InChI InChI=1S/C16H17N3O4/c1-9(2)8-23-13-5-4-11(6-12(13)7-17)15-18-10(3)14(16(20)21)19(15)22/h4-6,9,22H,8H2,1-3H3,(H,20,21)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
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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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127488
PNG
(CHEMBL3628193)
Show SMILES CC(C)CCOc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
Show InChI InChI=1S/C17H19N3O4/c1-10(2)6-7-24-14-5-4-12(8-13(14)9-18)16-19-11(3)15(17(21)22)20(16)23/h4-5,8,10,23H,6-7H2,1-3H3,(H,21,22)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127489
PNG
(CHEMBL3628194)
Show SMILES CCCCCCOc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
Show InChI InChI=1S/C18H21N3O4/c1-3-4-5-6-9-25-15-8-7-13(10-14(15)11-19)17-20-12(2)16(18(22)23)21(17)24/h7-8,10,24H,3-6,9H2,1-2H3,(H,22,23)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127488
PNG
(CHEMBL3628193)
Show SMILES CC(C)CCOc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
Show InChI InChI=1S/C17H19N3O4/c1-10(2)6-7-24-14-5-4-12(8-13(14)9-18)16-19-11(3)15(17(21)22)20(16)23/h4-5,8,10,23H,6-7H2,1-3H3,(H,21,22)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127489
PNG
(CHEMBL3628194)
Show SMILES CCCCCCOc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
Show InChI InChI=1S/C18H21N3O4/c1-3-4-5-6-9-25-15-8-7-13(10-14(15)11-19)17-20-12(2)16(18(22)23)21(17)24/h7-8,10,24H,3-6,9H2,1-2H3,(H,22,23)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127563
PNG
(CHEMBL3628197)
Show SMILES Cc1nc(-c2ccc(Cc3ccc(C)cc3)c(c2)C#N)n(O)c1C(O)=O
Show InChI InChI=1S/C20H17N3O3/c1-12-3-5-14(6-4-12)9-15-7-8-16(10-17(15)11-21)19-22-13(2)18(20(24)25)23(19)26/h3-8,10,26H,9H2,1-2H3,(H,24,25)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127490
PNG
(CHEMBL3628195)
Show SMILES CCCCCCCOc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
Show InChI InChI=1S/C19H23N3O4/c1-3-4-5-6-7-10-26-16-9-8-14(11-15(16)12-20)18-21-13(2)17(19(23)24)22(18)25/h8-9,11,25H,3-7,10H2,1-2H3,(H,23,24)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127563
PNG
(CHEMBL3628197)
Show SMILES Cc1nc(-c2ccc(Cc3ccc(C)cc3)c(c2)C#N)n(O)c1C(O)=O
Show InChI InChI=1S/C20H17N3O3/c1-12-3-5-14(6-4-12)9-15-7-8-16(10-17(15)11-21)19-22-13(2)18(20(24)25)23(19)26/h3-8,10,26H,9H2,1-2H3,(H,24,25)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127490
PNG
(CHEMBL3628195)
Show SMILES CCCCCCCOc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
Show InChI InChI=1S/C19H23N3O4/c1-3-4-5-6-7-10-26-16-9-8-14(11-15(16)12-20)18-21-13(2)17(19(23)24)22(18)25/h8-9,11,25H,3-7,10H2,1-2H3,(H,23,24)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127443
PNG
(CHEMBL3628188)
Show SMILES CCCOc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
Show InChI InChI=1S/C15H15N3O4/c1-3-6-22-12-5-4-10(7-11(12)8-16)14-17-9(2)13(15(19)20)18(14)21/h4-5,7,21H,3,6H2,1-2H3,(H,19,20)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127443
PNG
(CHEMBL3628188)
Show SMILES CCCOc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
Show InChI InChI=1S/C15H15N3O4/c1-3-6-22-12-5-4-10(7-11(12)8-16)14-17-9(2)13(15(19)20)18(14)21/h4-5,7,21H,3,6H2,1-2H3,(H,19,20)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127440
PNG
(CHEMBL3628189)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
Show InChI InChI=1S/C15H15N3O4/c1-8(2)22-12-5-4-10(6-11(12)7-16)14-17-9(3)13(15(19)20)18(14)21/h4-6,8,21H,1-3H3,(H,19,20)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127440
PNG
(CHEMBL3628189)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
Show InChI InChI=1S/C15H15N3O4/c1-8(2)22-12-5-4-10(6-11(12)7-16)14-17-9(3)13(15(19)20)18(14)21/h4-6,8,21H,1-3H3,(H,19,20)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127439
PNG
(CHEMBL3628187)
Show SMILES COc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
Show InChI InChI=1S/C13H11N3O4/c1-7-11(13(17)18)16(19)12(15-7)8-3-4-10(20-2)9(5-8)6-14/h3-5,19H,1-2H3,(H,17,18)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127439
PNG
(CHEMBL3628187)
Show SMILES COc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
Show InChI InChI=1S/C13H11N3O4/c1-7-11(13(17)18)16(19)12(15-7)8-3-4-10(20-2)9(5-8)6-14/h3-5,19H,1-2H3,(H,17,18)
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n/an/a 550n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127567
PNG
(CHEMBL3628208)
Show SMILES COn1c(nc(C)c1C(O)=O)-c1ccc(Cc2ccc(C)cc2)c(c1)C#N
Show InChI InChI=1S/C21H19N3O3/c1-13-4-6-15(7-5-13)10-16-8-9-17(11-18(16)12-22)20-23-14(2)19(21(25)26)24(20)27-3/h4-9,11H,10H2,1-3H3,(H,25,26)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127567
PNG
(CHEMBL3628208)
Show SMILES COn1c(nc(C)c1C(O)=O)-c1ccc(Cc2ccc(C)cc2)c(c1)C#N
Show InChI InChI=1S/C21H19N3O3/c1-13-4-6-15(7-5-13)10-16-8-9-17(11-18(16)12-22)20-23-14(2)19(21(25)26)24(20)27-3/h4-9,11H,10H2,1-3H3,(H,25,26)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127491
PNG
(CHEMBL3628196)
Show SMILES CCCCCCCCOc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
Show InChI InChI=1S/C20H25N3O4/c1-3-4-5-6-7-8-11-27-17-10-9-15(12-16(17)13-21)19-22-14(2)18(20(24)25)23(19)26/h9-10,12,26H,3-8,11H2,1-2H3,(H,24,25)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127491
PNG
(CHEMBL3628196)
Show SMILES CCCCCCCCOc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
Show InChI InChI=1S/C20H25N3O4/c1-3-4-5-6-7-8-11-27-17-10-9-15(12-16(17)13-21)19-22-14(2)18(20(24)25)23(19)26/h9-10,12,26H,3-8,11H2,1-2H3,(H,24,25)
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n/an/a 1.26E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127564
PNG
(CHEMBL3628202)
Show SMILES CCC(C)Oc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1OC
Show InChI InChI=1S/C17H19N3O4/c1-5-10(2)24-14-7-6-12(8-13(14)9-18)16-19-11(3)15(17(21)22)20(16)23-4/h6-8,10H,5H2,1-4H3,(H,21,22)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127564
PNG
(CHEMBL3628202)
Show SMILES CCC(C)Oc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1OC
Show InChI InChI=1S/C17H19N3O4/c1-5-10(2)24-14-7-6-12(8-13(14)9-18)16-19-11(3)15(17(21)22)20(16)23-4/h6-8,10H,5H2,1-4H3,(H,21,22)
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n/an/a 1.59E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127566
PNG
(CHEMBL3628205)
Show SMILES CCCCCCOc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1OC
Show InChI InChI=1S/C19H23N3O4/c1-4-5-6-7-10-26-16-9-8-14(11-15(16)12-20)18-21-13(2)17(19(23)24)22(18)25-3/h8-9,11H,4-7,10H2,1-3H3,(H,23,24)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127566
PNG
(CHEMBL3628205)
Show SMILES CCCCCCOc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1OC
Show InChI InChI=1S/C19H23N3O4/c1-4-5-6-7-10-26-16-9-8-14(11-15(16)12-20)18-21-13(2)17(19(23)24)22(18)25-3/h8-9,11H,4-7,10H2,1-3H3,(H,23,24)
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n/an/a 3.98E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127565
PNG
(CHEMBL3628204)
Show SMILES COn1c(nc(C)c1C(O)=O)-c1ccc(OCCC(C)C)c(c1)C#N
Show InChI InChI=1S/C18H21N3O4/c1-11(2)7-8-25-15-6-5-13(9-14(15)10-19)17-20-12(3)16(18(22)23)21(17)24-4/h5-6,9,11H,7-8H2,1-4H3,(H,22,23)
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n/an/a 7.94E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50127565
PNG
(CHEMBL3628204)
Show SMILES COn1c(nc(C)c1C(O)=O)-c1ccc(OCCC(C)C)c(c1)C#N
Show InChI InChI=1S/C18H21N3O4/c1-11(2)7-8-25-15-6-5-13(9-14(15)10-19)17-20-12(3)16(18(22)23)21(17)24-4/h5-6,9,11H,7-8H2,1-4H3,(H,22,23)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis

Eur J Med Chem 103: 343-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.056
BindingDB Entry DOI: 10.7270/Q2X3509Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%