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PubMed code 26575582

Compile data set for download or QSAR
Found 15 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


(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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Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178040
PNG
(4-methyl-2-{[(2-methylphenyl)methyl]amino}-1,3-thi...)
Show SMILES Cc1nc(NCc2ccccc2C)sc1C(O)=O
Show InChI InChI=1S/C13H14N2O2S/c1-8-5-3-4-6-10(8)7-14-13-15-9(2)11(18-13)12(16)17/h3-6H,7H2,1-2H3,(H,14,15)(H,16,17)
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PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178041
PNG
(2-{[(2,4-dichlorophenyl)methyl]amino}-4-methyl-1,3...)
Show SMILES Cc1nc(NCc2ccc(Cl)cc2Cl)sc1C(O)=O
Show InChI InChI=1S/C12H10Cl2N2O2S/c1-6-10(11(17)18)19-12(16-6)15-5-7-2-3-8(13)4-9(7)14/h2-4H,5H2,1H3,(H,15,16)(H,17,18)
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n/an/a 8.10E+3n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178039
PNG
(2-{[(2-chlorophenyl)methyl]amino}-4-methyl-1,3-thi...)
Show SMILES Cc1nc(NCc2ccccc2Cl)sc1C(O)=O
Show InChI InChI=1S/C12H11ClN2O2S/c1-7-10(11(16)17)18-12(15-7)14-6-8-4-2-3-5-9(8)13/h2-5H,6H2,1H3,(H,14,15)(H,16,17)
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n/an/a 9.90E+3n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178043
PNG
(2-{[(2-methoxyphenyl)methyl]amino}-4-methyl-1,3-th...)
Show SMILES COc1ccccc1CNc1nc(C)c(s1)C(O)=O
Show InChI InChI=1S/C13H14N2O3S/c1-8-11(12(16)17)19-13(15-8)14-7-9-5-3-4-6-10(9)18-2/h3-6H,7H2,1-2H3,(H,14,15)(H,16,17)
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n/an/a 1.47E+4n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178036
PNG
(2-{[(4-hydroxyphenyl)methyl]amino}-4-methyl-1,3-th...)
Show SMILES Cc1nc(NCc2ccc(O)cc2)sc1C(O)=O
Show InChI InChI=1S/C12H12N2O3S/c1-7-10(11(16)17)18-12(14-7)13-6-8-2-4-9(15)5-3-8/h2-5,15H,6H2,1H3,(H,13,14)(H,16,17)
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n/an/a 2.15E+4n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178033
PNG
(2-{[(4-fluorophenyl)methyl]amino}-4-methyl-1,3-thi...)
Show SMILES Cc1nc(NCc2ccc(F)cc2)sc1C(O)=O
Show InChI InChI=1S/C12H11FN2O2S/c1-7-10(11(16)17)18-12(15-7)14-6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,14,15)(H,16,17)
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n/an/a 3.03E+4n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178034
PNG
(2-{[(4-bromophenyl)methyl]amino}-4-methyl-1,3-thia...)
Show SMILES Cc1nc(NCc2ccc(Br)cc2)sc1C(O)=O
Show InChI InChI=1S/C12H11BrN2O2S/c1-7-10(11(16)17)18-12(15-7)14-6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,14,15)(H,16,17)
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n/an/a 4.32E+4n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178044
PNG
(2-{[(3,4-dihydroxyphenyl)methyl]amino}-4-methyl-1,...)
Show SMILES Cc1nc(NCc2ccc(O)c(O)c2)sc1C(O)=O
Show InChI InChI=1S/C12H12N2O4S/c1-6-10(11(17)18)19-12(14-6)13-5-7-2-3-8(15)9(16)4-7/h2-4,15-16H,5H2,1H3,(H,13,14)(H,17,18)
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n/an/a 6.02E+4n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178031
PNG
(2-(Benzylamino)-4-methyl-1,3-thiazole-5-carboxylic...)
Show SMILES Cc1nc(NCc2ccccc2)sc1C(O)=O
Show InChI InChI=1S/C12H12N2O2S/c1-8-10(11(15)16)17-12(14-8)13-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,14)(H,15,16)
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PubMed
n/an/a 9.81E+4n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178038
PNG
(2-{[(2-bromophenyl)methyl]amino}-4-methyl-1,3-thia...)
Show SMILES Cc1nc(NCc2ccccc2Br)sc1C(O)=O
Show InChI InChI=1S/C12H11BrN2O2S/c1-7-10(11(16)17)18-12(15-7)14-6-8-4-2-3-5-9(8)13/h2-5H,6H2,1H3,(H,14,15)(H,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178042
PNG
(2-{[(2-hydroxyphenyl)methyl]amino}-4-methyl-1,3-th...)
Show SMILES Cc1nc(NCc2ccccc2O)sc1C(O)=O
Show InChI InChI=1S/C12H12N2O3S/c1-7-10(11(16)17)18-12(14-7)13-6-8-4-2-3-5-9(8)15/h2-5,15H,6H2,1H3,(H,13,14)(H,16,17)
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Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178037
PNG
(2-{[(4-methoxyphenyl)methyl]amino}-4-methyl-1,3-th...)
Show SMILES COc1ccc(CNc2nc(C)c(s2)C(O)=O)cc1
Show InChI InChI=1S/C13H14N2O3S/c1-8-11(12(16)17)19-13(15-8)14-7-9-3-5-10(18-2)6-4-9/h3-6H,7H2,1-2H3,(H,14,15)(H,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178035
PNG
(4-methyl-2-{[(4-methylphenyl)methyl]amino}-1,3-thi...)
Show SMILES Cc1nc(NCc2ccc(C)cc2)sc1C(O)=O
Show InChI InChI=1S/C13H14N2O2S/c1-8-3-5-10(6-4-8)7-14-13-15-9(2)11(18-13)12(16)17/h3-6H,7H2,1-2H3,(H,14,15)(H,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178032
PNG
(2-{[(4-chlorophenyl)methyl]amino}-4-methyl-1,3-thi...)
Show SMILES Cc1nc(NCc2ccc(Cl)cc2)sc1C(O)=O
Show InChI InChI=1S/C12H11ClN2O2S/c1-7-10(11(16)17)18-12(15-7)14-6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,14,15)(H,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%