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Compile Data Set for Download or QSAR

Found 98 hits Enz. Inhib. hit(s) with Target = 'Thymidine Phosphorylase (TP)'   
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
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM50122770
PNG
(6-Amino-5-bromo-1H-pyrimidine-2,4-dione | 6-Amino-...)
Show SMILES Nc1[nH]c(=O)[nH]c(=O)c1Br
Show InChI InChI=1S/C4H4BrN3O2/c5-1-2(6)7-4(10)8-3(1)9/h(H4,6,7,8,9,10)
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Article
PubMed
800n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli thymidine phosphorylase


J Med Chem 48: 392-402 (2005)


Article DOI: 10.1021/jm049494r
BindingDB Entry DOI: 10.7270/Q2445N8K
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM222044
PNG
(5'-O-(4''-Bromobenzoyl)-thymidine-3...)
Show SMILES Cc1cn([C@H]2C[C@H](OC(=O)c3ccc(Br)cc3)[C@@H](COC(=O)c3ccc(Br)cc3)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C24H20Br2N2O7/c1-13-11-28(24(32)27-21(13)29)20-10-18(35-23(31)15-4-8-17(26)9-5-15)19(34-20)12-33-22(30)14-2-6-16(25)7-3-14/h2-9,11,18-20H,10,12H2,1H3,(H,27,29,32)/t18-,19+,20+/m0/s1
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PubMed
7.81E+3n/an/an/an/an/an/an/an/a



University of Karachi



Assay Description
In kinetic assay, the TP enzyme (0.058 U/well) was incu- bated with different concentrations of inhibitor (0.50.001 mM) for 10 min at 30 C. The rea...


Bioorg Chem 70: 44-56 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.007
BindingDB Entry DOI: 10.7270/Q2H70DPM
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM222045
PNG
(5'-O-(3''-Bromobenzoyl)-thymidine (15))
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COC(=O)c3cccc(Br)c3)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H17BrN2O6/c1-9-7-20(17(24)19-15(9)22)14-6-12(21)13(26-14)8-25-16(23)10-3-2-4-11(18)5-10/h2-5,7,12-14,21H,6,8H2,1H3,(H,19,22,24)/t12-,13+,14+/m0/s1
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1.14E+4n/an/an/an/an/an/an/an/a



University of Karachi



Assay Description
In kinetic assay, the TP enzyme (0.058 U/well) was incu- bated with different concentrations of inhibitor (0.50.001 mM) for 10 min at 30 C. The rea...


Bioorg Chem 70: 44-56 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.007
BindingDB Entry DOI: 10.7270/Q2H70DPM
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM222040
PNG
(5'-O-(4''-Methylbenzoyl)-thymidine (4))
Show SMILES Cc1ccc(cc1)C(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H20N2O6/c1-10-3-5-12(6-4-10)17(23)25-9-14-13(21)7-15(26-14)20-8-11(2)16(22)19-18(20)24/h3-6,8,13-15,21H,7,9H2,1-2H3,(H,19,22,24)/t13-,14+,15+/m0/s1
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1.25E+4n/an/an/an/an/an/an/an/a



University of Karachi



Assay Description
In kinetic assay, the TP enzyme (0.058 U/well) was incu- bated with different concentrations of inhibitor (0.50.001 mM) for 10 min at 30 C. The rea...


Bioorg Chem 70: 44-56 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.007
BindingDB Entry DOI: 10.7270/Q2H70DPM
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM222041
PNG
(5'-O-(4''-Methoxybenzoyl)-thymidine (1...)
Show SMILES COc1ccc(cc1)C(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H20N2O7/c1-10-8-20(18(24)19-16(10)22)15-7-13(21)14(27-15)9-26-17(23)11-3-5-12(25-2)6-4-11/h3-6,8,13-15,21H,7,9H2,1-2H3,(H,19,22,24)/t13-,14+,15+/m0/s1
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1.28E+4n/an/an/an/an/an/an/an/a



University of Karachi



Assay Description
In kinetic assay, the TP enzyme (0.058 U/well) was incu- bated with different concentrations of inhibitor (0.50.001 mM) for 10 min at 30 C. The rea...


Bioorg Chem 70: 44-56 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.007
BindingDB Entry DOI: 10.7270/Q2H70DPM
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM50134399
PNG
(1,7-Dihydro-pyrrolo[2,3-d]pyrimidine-2,4-dione | 7...)
Show SMILES O=c1[nH]c2[nH]ccc2c(=O)[nH]1
Show InChI InChI=1S/C6H5N3O2/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H,(H3,7,8,9,10,11)
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4.91E+4n/an/an/an/an/an/an/an/a



University of Karachi



Assay Description
In kinetic assay, the TP enzyme (0.058 U/well) was incu- bated with different concentrations of inhibitor (0.50.001 mM) for 10 min at 30 C. The rea...


Bioorg Chem 70: 44-56 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.007
BindingDB Entry DOI: 10.7270/Q2H70DPM
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20030
PNG
(6-amino-5-chloro-1,3-diazinane-2,4-dione | 6-amino...)
Show SMILES Nc1[nH]c(=O)[nH]c(=O)c1Cl
Show InChI InChI=1S/C4H4ClN3O2/c5-1-2(6)7-4(10)8-3(1)9/h(H4,6,7,8,9,10)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20031
PNG
(5-bromo-6-(piperidin-1-yl)-1,3-diazinane-2,4-dione...)
Show SMILES Brc1c([nH]c(=O)[nH]c1=O)N1CCCCC1
Show InChI InChI=1S/C9H12BrN3O2/c10-6-7(11-9(15)12-8(6)14)13-4-2-1-3-5-13/h1-5H2,(H2,11,12,14,15)
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PubMed
n/an/a 9.10E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20032
PNG
(5-bromo-6-(pyrrolidin-1-yl)-1,3-diazinane-2,4-dion...)
Show SMILES Brc1c([nH]c(=O)[nH]c1=O)N1CCCC1
Show InChI InChI=1S/C8H10BrN3O2/c9-5-6(12-3-1-2-4-12)10-8(14)11-7(5)13/h1-4H2,(H2,10,11,13,14)
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PubMed
n/an/a 5.30E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20033
PNG
(6-(azetidin-1-yl)-5-bromo-1,3-diazinane-2,4-dione ...)
Show SMILES Brc1c([nH]c(=O)[nH]c1=O)N1CCC1
Show InChI InChI=1S/C7H8BrN3O2/c8-4-5(11-2-1-3-11)9-7(13)10-6(4)12/h1-3H2,(H2,9,10,12,13)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20034
PNG
(5-bromo-6-hydrazinyl-1,3-diazinane-2,4-dione | ura...)
Show SMILES NNc1[nH]c(=O)[nH]c(=O)c1Br
Show InChI InChI=1S/C4H5BrN4O2/c5-1-2(9-6)7-4(11)8-3(1)10/h6H2,(H3,7,8,9,10,11)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20035
PNG
(5-bromo-6-(morpholin-4-yl)-1,3-diazinane-2,4-dione...)
Show SMILES Brc1c([nH]c(=O)[nH]c1=O)N1CCOCC1
Show InChI InChI=1S/C8H10BrN3O3/c9-5-6(10-8(14)11-7(5)13)12-1-3-15-4-2-12/h1-4H2,(H2,10,11,13,14)
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n/an/a 1.16E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20036
PNG
(5-bromo-6-(cyclopropylamino)-1,3-diazinane-2,4-dio...)
Show SMILES Brc1c(NC2CC2)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C7H8BrN3O2/c8-4-5(9-3-1-2-3)10-7(13)11-6(4)12/h3H,1-2H2,(H3,9,10,11,12,13)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20037
PNG
(5-bromo-6-[2-(hydroxymethyl)piperidin-1-yl]-1,3-di...)
Show SMILES OCC1CCCCN1c1[nH]c(=O)[nH]c(=O)c1Br
Show InChI InChI=1S/C10H14BrN3O3/c11-7-8(12-10(17)13-9(7)16)14-4-2-1-3-6(14)5-15/h6,15H,1-5H2,(H2,12,13,16,17)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20038
PNG
(5-bromo-6-[3-(hydroxymethyl)piperidin-1-yl]-1,3-di...)
Show SMILES OCC1CCCN(C1)c1[nH]c(=O)[nH]c(=O)c1Br
Show InChI InChI=1S/C10H14BrN3O3/c11-7-8(12-10(17)13-9(7)16)14-3-1-2-6(4-14)5-15/h6,15H,1-5H2,(H2,12,13,16,17)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20039
PNG
(5-bromo-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3-di...)
Show SMILES OCC1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Br
Show InChI InChI=1S/C10H14BrN3O3/c11-7-8(12-10(17)13-9(7)16)14-3-1-6(5-15)2-4-14/h6,15H,1-5H2,(H2,12,13,16,17)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20040
PNG
(5-bromo-6-[4-(2-hydroxyethyl)piperidin-1-yl]-1,3-d...)
Show SMILES OCCC1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Br
Show InChI InChI=1S/C11H16BrN3O3/c12-8-9(13-11(18)14-10(8)17)15-4-1-7(2-5-15)3-6-16/h7,16H,1-6H2,(H2,13,14,17,18)
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n/an/a 6.10E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20041
PNG
(5-chloro-6-(piperidin-1-yl)-1,3-diazinane-2,4-dion...)
Show SMILES Clc1c([nH]c(=O)[nH]c1=O)N1CCCCC1
Show InChI InChI=1S/C9H12ClN3O2/c10-6-7(11-9(15)12-8(6)14)13-4-2-1-3-5-13/h1-5H2,(H2,11,12,14,15)
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n/an/a 7.30E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20042
PNG
(5-chloro-6-(pyrrolidin-1-yl)-1,3-diazinane-2,4-dio...)
Show SMILES Clc1c([nH]c(=O)[nH]c1=O)N1CCCC1
Show InChI InChI=1S/C8H10ClN3O2/c9-5-6(12-3-1-2-4-12)10-8(14)11-7(5)13/h1-4H2,(H2,10,11,13,14)
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PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20043
PNG
(6-(azetidin-1-yl)-5-chloro-1,3-diazinane-2,4-dione...)
Show SMILES Clc1c([nH]c(=O)[nH]c1=O)N1CCC1
Show InChI InChI=1S/C7H8ClN3O2/c8-4-5(11-2-1-3-11)9-7(13)10-6(4)12/h1-3H2,(H2,9,10,12,13)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20044
PNG
(5-chloro-6-hydrazinyl-1,3-diazinane-2,4-dione | ur...)
Show SMILES NNc1[nH]c(=O)[nH]c(=O)c1Cl
Show InChI InChI=1S/C4H5ClN4O2/c5-1-2(9-6)7-4(11)8-3(1)10/h6H2,(H3,7,8,9,10,11)
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n/an/a 9.10E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20045
PNG
(5-chloro-6-(morpholin-4-yl)-1,3-diazinane-2,4-dion...)
Show SMILES Clc1c([nH]c(=O)[nH]c1=O)N1CCOCC1
Show InChI InChI=1S/C8H10ClN3O3/c9-5-6(10-8(14)11-7(5)13)12-1-3-15-4-2-12/h1-4H2,(H2,10,11,13,14)
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n/an/a 1.04E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20046
PNG
(5-chloro-6-(cyclopropylamino)-1,3-diazinane-2,4-di...)
Show SMILES Clc1c(NC2CC2)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C7H8ClN3O2/c8-4-5(9-3-1-2-3)10-7(13)11-6(4)12/h3H,1-2H2,(H3,9,10,11,12,13)
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n/an/a 1.01E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20047
PNG
(5-chloro-6-[2-(hydroxymethyl)piperidin-1-yl]-1,3-d...)
Show SMILES OCC1CCCCN1c1[nH]c(=O)[nH]c(=O)c1Cl
Show InChI InChI=1S/C10H14ClN3O3/c11-7-8(12-10(17)13-9(7)16)14-4-2-1-3-6(14)5-15/h6,15H,1-5H2,(H2,12,13,16,17)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20048
PNG
(5-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]-1,3-d...)
Show SMILES OCC1CCCN(C1)c1[nH]c(=O)[nH]c(=O)c1Cl
Show InChI InChI=1S/C10H14ClN3O3/c11-7-8(12-10(17)13-9(7)16)14-3-1-2-6(4-14)5-15/h6,15H,1-5H2,(H2,12,13,16,17)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20049
PNG
(5-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3-d...)
Show SMILES OCC1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cl
Show InChI InChI=1S/C10H14ClN3O3/c11-7-8(12-10(17)13-9(7)16)14-3-1-6(5-15)2-4-14/h6,15H,1-5H2,(H2,12,13,16,17)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20050
PNG
(5-chloro-6-[4-(2-hydroxyethyl)piperidin-1-yl]-1,3-...)
Show SMILES OCCC1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cl
Show InChI InChI=1S/C11H16ClN3O3/c12-8-9(13-11(18)14-10(8)17)15-4-1-7(2-5-15)3-6-16/h7,16H,1-6H2,(H2,13,14,17,18)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20051
PNG
(5-bromo-6-[4-(5-bromo-2,6-dioxo-1,2,3,6-tetrahydro...)
Show SMILES Brc1c([nH]c(=O)[nH]c1=O)N1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Br
Show InChI InChI=1S/C12H12Br2N6O4/c13-5-7(15-11(23)17-9(5)21)19-1-2-20(4-3-19)8-6(14)10(22)18-12(24)16-8/h1-4H2,(H2,15,17,21,23)(H2,16,18,22,24)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20052
PNG
(5-bromo-6-({2-[(5-bromo-2,6-dioxo-1,2,3,6-tetrahyd...)
Show SMILES Brc1c(NCCNc2[nH]c(=O)[nH]c(=O)c2Br)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C10H10Br2N6O4/c11-3-5(15-9(21)17-7(3)19)13-1-2-14-6-4(12)8(20)18-10(22)16-6/h1-2H2,(H3,13,15,17,19,21)(H3,14,16,18,20,22)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20053
PNG
(5-chloro-6-[4-(5-chloro-2,6-dioxo-1,2,3,6-tetrahyd...)
Show SMILES Clc1c([nH]c(=O)[nH]c1=O)N1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cl
Show InChI InChI=1S/C12H12Cl2N6O4/c13-5-7(15-11(23)17-9(5)21)19-1-2-20(4-3-19)8-6(14)10(22)18-12(24)16-8/h1-4H2,(H2,15,17,21,23)(H2,16,18,22,24)
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n/an/a 8.70E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine phosphorylase (TP)


(Escherichia coli (Enterobacteria))
BDBM152484
PNG
(5-Phenyl-1,3,4-oxadiazole-2(3H)-thione (1))
Show SMILES S=c1[nH]nc(o1)-c1ccccc1
Show InChI InChI=1S/C8H6N2OS/c12-8-10-9-7(11-8)6-4-2-1-3-5-6/h1-5H,(H,10,12)
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n/an/a 5.00E+4n/an/an/an/an/an/a



COMSATS Institute of Information Technology



Assay Description
Briefly, a total reaction mixture of 200 l contained 145 l of potassium phosphate buffer (pH 7.4), 30 l of enzyme at concentration 0.05 and 0.002 ...


Bioorg Chem 60: 37-41 (2015)


Article DOI: 10.1016/j.bioorg.2015.04.003
BindingDB Entry DOI: 10.7270/Q2JH3JW5
More data for this
Ligand-Target Pair
Thymidine phosphorylase (TP)


(Escherichia coli (Enterobacteria))
BDBM152485
PNG
(5-(2'-Hydroxyphenyl)-2,3-dihydro-1,3,4-oxadiaz...)
Show SMILES Oc1ccccc1-c1n[nH]c(=S)o1
Show InChI InChI=1S/C8H6N2O2S/c11-6-4-2-1-3-5(6)7-9-10-8(13)12-7/h1-4,11H,(H,10,13)
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n/an/a 6.84E+4n/an/an/an/an/an/a



COMSATS Institute of Information Technology



Assay Description
Briefly, a total reaction mixture of 200 l contained 145 l of potassium phosphate buffer (pH 7.4), 30 l of enzyme at concentration 0.05 and 0.002 ...


Bioorg Chem 60: 37-41 (2015)


Article DOI: 10.1016/j.bioorg.2015.04.003
BindingDB Entry DOI: 10.7270/Q2JH3JW5
More data for this
Ligand-Target Pair
Thymidine phosphorylase (TP)


(Escherichia coli (Enterobacteria))
BDBM152486
PNG
(5-(2'-Aminophenyl)-1,3,4-oxadiazole-2(3H)-thio...)
Show SMILES Nc1ccccc1-c1n[nH]c(=S)o1
Show InChI InChI=1S/C8H7N3OS/c9-6-4-2-1-3-5(6)7-10-11-8(13)12-7/h1-4H,9H2,(H,11,13)
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n/an/a 7.43E+4n/an/an/an/an/an/a



COMSATS Institute of Information Technology



Assay Description
Briefly, a total reaction mixture of 200 l contained 145 l of potassium phosphate buffer (pH 7.4), 30 l of enzyme at concentration 0.05 and 0.002 ...


Bioorg Chem 60: 37-41 (2015)


Article DOI: 10.1016/j.bioorg.2015.04.003
BindingDB Entry DOI: 10.7270/Q2JH3JW5
More data for this
Ligand-Target Pair
Thymidine phosphorylase (TP)


(Escherichia coli (Enterobacteria))
BDBM152487
PNG
(5-(3'-Methylphenyl)-1,3,4-oxadiazole-2(3H)-thi...)
Show SMILES Cc1cccc(c1)-c1n[nH]c(=S)o1
Show InChI InChI=1S/C9H8N2OS/c1-6-3-2-4-7(5-6)8-10-11-9(13)12-8/h2-5H,1H3,(H,11,13)
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n/an/a 9.18E+4n/an/an/an/an/an/a



COMSATS Institute of Information Technology



Assay Description
Briefly, a total reaction mixture of 200 l contained 145 l of potassium phosphate buffer (pH 7.4), 30 l of enzyme at concentration 0.05 and 0.002 ...


Bioorg Chem 60: 37-41 (2015)


Article DOI: 10.1016/j.bioorg.2015.04.003
BindingDB Entry DOI: 10.7270/Q2JH3JW5
More data for this
Ligand-Target Pair
Thymidine phosphorylase (TP)


(Escherichia coli (Enterobacteria))
BDBM152488
PNG
(5(4'-Hydroxyphenyl)-1,3,4-oxadiazole-2(3H)-thi...)
Show SMILES Oc1ccc(cc1)-c1n[nH]c(=S)o1
Show InChI InChI=1S/C8H6N2O2S/c11-6-3-1-5(2-4-6)7-9-10-8(13)12-7/h1-4,11H,(H,10,13)
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n/an/a 3.82E+4n/an/an/an/an/an/a



COMSATS Institute of Information Technology



Assay Description
Briefly, a total reaction mixture of 200 l contained 145 l of potassium phosphate buffer (pH 7.4), 30 l of enzyme at concentration 0.05 and 0.002 ...


Bioorg Chem 60: 37-41 (2015)


Article DOI: 10.1016/j.bioorg.2015.04.003
BindingDB Entry DOI: 10.7270/Q2JH3JW5
More data for this
Ligand-Target Pair
Thymidine phosphorylase (TP)


(Escherichia coli (Enterobacteria))
BDBM152489
PNG
(5-(4'-Methoxyphenyl)-1,3,4-oxadiazole-2(3H)-th...)
Show SMILES COc1ccc(cc1)-c1n[nH]c(=S)o1
Show InChI InChI=1S/C9H8N2O2S/c1-12-7-4-2-6(3-5-7)8-10-11-9(14)13-8/h2-5H,1H3,(H,11,14)
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n/an/a 7.24E+4n/an/an/an/an/an/a



COMSATS Institute of Information Technology



Assay Description
Briefly, a total reaction mixture of 200 l contained 145 l of potassium phosphate buffer (pH 7.4), 30 l of enzyme at concentration 0.05 and 0.002 ...


Bioorg Chem 60: 37-41 (2015)


Article DOI: 10.1016/j.bioorg.2015.04.003
BindingDB Entry DOI: 10.7270/Q2JH3JW5
More data for this
Ligand-Target Pair
Thymidine phosphorylase (TP)


(Escherichia coli (Enterobacteria))
BDBM152490
PNG
(5-(3',4',5'-Trimethoxyphenyl)-1,3,4-ox...)
Show SMILES COc1cc(cc(OC)c1OC)-c1n[nH]c(=S)o1
Show InChI InChI=1S/C11H12N2O4S/c1-14-7-4-6(10-12-13-11(18)17-10)5-8(15-2)9(7)16-3/h4-5H,1-3H3,(H,13,18)
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n/an/a 6.34E+4n/an/an/an/an/an/a



COMSATS Institute of Information Technology



Assay Description
Briefly, a total reaction mixture of 200 l contained 145 l of potassium phosphate buffer (pH 7.4), 30 l of enzyme at concentration 0.05 and 0.002 ...


Bioorg Chem 60: 37-41 (2015)


Article DOI: 10.1016/j.bioorg.2015.04.003
BindingDB Entry DOI: 10.7270/Q2JH3JW5
More data for this
Ligand-Target Pair
Thymidine phosphorylase (TP)


(Escherichia coli (Enterobacteria))
BDBM152491
PNG
(5-(3'-Chlorophenyl)-1,3,4-oxadiazole-2(3H)-thi...)
Show SMILES Clc1cccc(c1)-c1n[nH]c(=S)o1
Show InChI InChI=1S/C8H5ClN2OS/c9-6-3-1-2-5(4-6)7-10-11-8(13)12-7/h1-4H,(H,11,13)
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n/an/a 2.58E+5n/an/an/an/an/an/a



COMSATS Institute of Information Technology



Assay Description
Briefly, a total reaction mixture of 200 l contained 145 l of potassium phosphate buffer (pH 7.4), 30 l of enzyme at concentration 0.05 and 0.002 ...


Bioorg Chem 60: 37-41 (2015)


Article DOI: 10.1016/j.bioorg.2015.04.003
BindingDB Entry DOI: 10.7270/Q2JH3JW5
More data for this
Ligand-Target Pair
Thymidine phosphorylase (TP)


(Escherichia coli (Enterobacteria))
BDBM152492
PNG
(5-(4'-Chlorophenyl)-1,3,4-oxadiazole-2(3H)-thi...)
Show SMILES Clc1ccc(cc1)-c1n[nH]c(=S)o1
Show InChI InChI=1S/C8H5ClN2OS/c9-6-3-1-5(2-4-6)7-10-11-8(13)12-7/h1-4H,(H,11,13)
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n/an/a 6.40E+4n/an/an/an/an/an/a



COMSATS Institute of Information Technology



Assay Description
Briefly, a total reaction mixture of 200 l contained 145 l of potassium phosphate buffer (pH 7.4), 30 l of enzyme at concentration 0.05 and 0.002 ...


Bioorg Chem 60: 37-41 (2015)


Article DOI: 10.1016/j.bioorg.2015.04.003
BindingDB Entry DOI: 10.7270/Q2JH3JW5
More data for this
Ligand-Target Pair
Thymidine phosphorylase (TP)


(Escherichia coli (Enterobacteria))
BDBM152493
PNG
(5-(4'-Bromophenyl)-1,3,4-oxadiazole-2(3H)-thio...)
Show SMILES Brc1ccc(cc1)-c1n[nH]c(=S)o1
Show InChI InChI=1S/C8H5BrN2OS/c9-6-3-1-5(2-4-6)7-10-11-8(13)12-7/h1-4H,(H,11,13)
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n/an/a 6.40E+4n/an/an/an/an/an/a



COMSATS Institute of Information Technology



Assay Description
Briefly, a total reaction mixture of 200 l contained 145 l of potassium phosphate buffer (pH 7.4), 30 l of enzyme at concentration 0.05 and 0.002 ...


Bioorg Chem 60: 37-41 (2015)


Article DOI: 10.1016/j.bioorg.2015.04.003
BindingDB Entry DOI: 10.7270/Q2JH3JW5
More data for this
Ligand-Target Pair
Thymidine phosphorylase (TP)


(Escherichia coli (Enterobacteria))
BDBM50134399
PNG
(1,7-Dihydro-pyrrolo[2,3-d]pyrimidine-2,4-dione | 7...)
Show SMILES O=c1[nH]c2[nH]ccc2c(=O)[nH]1
Show InChI InChI=1S/C6H5N3O2/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H,(H3,7,8,9,10,11)
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n/an/a 3.87E+4n/an/an/an/an/an/a



COMSATS Institute of Information Technology



Assay Description
Briefly, a total reaction mixture of 200 l contained 145 l of potassium phosphate buffer (pH 7.4), 30 l of enzyme at concentration 0.05 and 0.002 ...


Bioorg Chem 60: 37-41 (2015)


Article DOI: 10.1016/j.bioorg.2015.04.003
BindingDB Entry DOI: 10.7270/Q2JH3JW5
More data for this
Ligand-Target Pair
Thymidine phosphorylase (TP)


(Escherichia coli (Enterobacteria))
BDBM50019165
PNG
(2-(4'-Hydroxyphenyl)quinazolin-4(3H)-one (2) |...)
Show SMILES Oc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)13-15-12-4-2-1-3-11(12)14(18)16-13/h1-8,17H,(H,15,16,18)
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n/an/a 2.34E+5n/an/an/an/an/an/a



University of Karachi



Assay Description
TP inhibition assay was performed spectrophotometrically. The method of Bera et al. was followed with slight modifications. Reaction mixture of 200 ...


Bioorg Chem 63: 142-51 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2C8282R
More data for this
Ligand-Target Pair
Thymidine phosphorylase (TP)


(Escherichia coli (Enterobacteria))
BDBM50019168
PNG
(2-(3'-Hydroxyphenyl)quinazolin-4(3H)-one (3) |...)
Show SMILES Oc1cccc(c1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H10N2O2/c17-10-5-3-4-9(8-10)13-15-12-7-2-1-6-11(12)14(18)16-13/h1-8,17H,(H,15,16,18)
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n/an/a 2.95E+5n/an/an/an/an/an/a



University of Karachi



Assay Description
TP inhibition assay was performed spectrophotometrically. The method of Bera et al. was followed with slight modifications. Reaction mixture of 200 ...


Bioorg Chem 63: 142-51 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2C8282R
More data for this
Ligand-Target Pair
Thymidine phosphorylase (TP)


(Escherichia coli (Enterobacteria))
BDBM50019242
PNG
(2-(3',4'-Dihydroxyphenyl)quinazolin-4(3H)-...)
Show SMILES Oc1ccc(cc1O)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H10N2O3/c17-11-6-5-8(7-12(11)18)13-15-10-4-2-1-3-9(10)14(19)16-13/h1-7,17-18H,(H,15,16,19)
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n/an/a 4.29E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
TP inhibition assay was performed spectrophotometrically. The method of Bera et al. was followed with slight modifications. Reaction mixture of 200 ...


Bioorg Chem 63: 142-51 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2C8282R
More data for this
Ligand-Target Pair
Thymidine phosphorylase (TP)


(Escherichia coli (Enterobacteria))
BDBM50019277
PNG
(2-(2',5'-Dihydroxyphenyl)quinazolin-4(3H)-...)
Show SMILES Oc1ccc(O)c(c1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H10N2O3/c17-8-5-6-12(18)10(7-8)13-15-11-4-2-1-3-9(11)14(19)16-13/h1-7,17-18H,(H,15,16,19)
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n/an/a 5.95E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
TP inhibition assay was performed spectrophotometrically. The method of Bera et al. was followed with slight modifications. Reaction mixture of 200 ...


Bioorg Chem 63: 142-51 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2C8282R
More data for this
Ligand-Target Pair
Thymidine phosphorylase (TP)


(Escherichia coli (Enterobacteria))
BDBM50019170
PNG
(2-(3'-Hydroxy-4'-methoxyphenyl)quinazolin-...)
Show SMILES COc1ccc(cc1O)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C15H12N2O3/c1-20-13-7-6-9(8-12(13)18)14-16-11-5-3-2-4-10(11)15(19)17-14/h2-8,18H,1H3,(H,16,17,19)
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n/an/a 1.69E+5n/an/an/an/an/an/a



University of Karachi



Assay Description
TP inhibition assay was performed spectrophotometrically. The method of Bera et al. was followed with slight modifications. Reaction mixture of 200 ...


Bioorg Chem 63: 142-51 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2C8282R
More data for this
Ligand-Target Pair
Thymidine phosphorylase (TP)


(Escherichia coli (Enterobacteria))
BDBM50019203
PNG
(2-(3'-Ethoxy-4'-hydroxyphenyl)quinazolin-4...)
Show SMILES CCOc1cc(ccc1O)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O3/c1-2-21-14-9-10(7-8-13(14)19)15-17-12-6-4-3-5-11(12)16(20)18-15/h3-9,19H,2H2,1H3,(H,17,18,20)
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n/an/a 2.56E+5n/an/an/an/an/an/a



University of Karachi



Assay Description
TP inhibition assay was performed spectrophotometrically. The method of Bera et al. was followed with slight modifications. Reaction mixture of 200 ...


Bioorg Chem 63: 142-51 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2C8282R
More data for this
Ligand-Target Pair
Thymidine phosphorylase (TP)


(Escherichia coli (Enterobacteria))
BDBM50134399
PNG
(1,7-Dihydro-pyrrolo[2,3-d]pyrimidine-2,4-dione | 7...)
Show SMILES O=c1[nH]c2[nH]ccc2c(=O)[nH]1
Show InChI InChI=1S/C6H5N3O2/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H,(H3,7,8,9,10,11)
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n/an/a 4.10E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
TP inhibition assay was performed spectrophotometrically. The method of Bera et al. was followed with slight modifications. Reaction mixture of 200 ...


Bioorg Chem 63: 142-51 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2C8282R
More data for this
Ligand-Target Pair
Thymidine phosphorylase (TP)


(Escherichia coli (Enterobacteria))
BDBM193748
PNG
((E)-2-(2-(2-fluorobenzylidene)hydrazinyl)quinoxali...)
Show SMILES Fc1ccccc1\C=N\Nc1cnc2ccccc2n1
Show InChI InChI=1S/C15H11FN4/c16-12-6-2-1-5-11(12)9-18-20-15-10-17-13-7-3-4-8-14(13)19-15/h1-10H,(H,19,20)/b18-9+
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n/an/a 3.36E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The Thymidine phosphorylase/PD-ECGF (E. coli) activity was determined by measuring the absorbance at 290 nm spectrophotometrically. In brief, total r...


Bioorg Chem 68: 80-89 (2016)


Article DOI: 10.1016/j.bioorg.2016.07.010
BindingDB Entry DOI: 10.7270/Q2H9940F
More data for this
Ligand-Target Pair
Thymidine phosphorylase (TP)


(Escherichia coli (Enterobacteria))
BDBM193749
PNG
((E)-2-(2-(3-fluorobenzylidene)hydrazinyl)quinoxali...)
Show SMILES Fc1cccc(\C=N\Nc2cnc3ccccc3n2)c1
Show InChI InChI=1S/C15H11FN4/c16-12-5-3-4-11(8-12)9-18-20-15-10-17-13-6-1-2-7-14(13)19-15/h1-10H,(H,19,20)/b18-9+
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n/an/a 6.61E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The Thymidine phosphorylase/PD-ECGF (E. coli) activity was determined by measuring the absorbance at 290 nm spectrophotometrically. In brief, total r...


Bioorg Chem 68: 80-89 (2016)


Article DOI: 10.1016/j.bioorg.2016.07.010
BindingDB Entry DOI: 10.7270/Q2H9940F
More data for this
Ligand-Target Pair
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