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PubMed code 16337119

Compile data set for download or QSAR
Found 48 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
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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PubMed
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)
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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PubMed
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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PubMed
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)


(Homo sapiens (Human))
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 3.40E+3n/an/an/an/a6.437



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)


(Homo sapiens (Human))
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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PubMed
n/an/a 3.80E+3n/an/an/an/a6.437



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)


(Homo sapiens (Human))
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 4.00E+3n/an/an/an/a6.437



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)
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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PubMed
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)
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)
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)
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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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)


(Homo sapiens (Human))
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 5.00E+3n/an/an/an/a6.437



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)


(Homo sapiens (Human))
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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n/an/a 5.10E+3n/an/an/an/a6.437



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)


(Homo sapiens (Human))
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 5.20E+3n/an/an/an/a6.437



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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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)
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)
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)
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)
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)
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)


(Homo sapiens (Human))
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 6.80E+3n/an/an/an/a6.437



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)


(Homo sapiens (Human))
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 7.00E+3n/an/an/an/a6.437



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)


(Homo sapiens (Human))
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 7.00E+3n/an/an/an/a6.437



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)


(Homo sapiens (Human))
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 7.20E+3n/an/an/an/a6.437



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)


(Homo sapiens (Human))
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 7.20E+3n/an/an/an/a6.437



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)


(Homo sapiens (Human))
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 7.20E+3n/an/an/an/a6.437



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)


(Homo sapiens (Human))
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 7.50E+3n/an/an/an/a6.437



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)


(Homo sapiens (Human))
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 7.50E+3n/an/an/an/a6.437



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)


(Homo sapiens (Human))
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 8.00E+3n/an/an/an/a6.437



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)


(Homo sapiens (Human))
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 8.00E+3n/an/an/an/a6.437



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)


(Homo sapiens (Human))
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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n/an/a 8.20E+3n/an/an/an/a6.437



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)


(Homo sapiens (Human))
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 8.30E+3n/an/an/an/a6.437



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)


(Homo sapiens (Human))
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 8.50E+3n/an/an/an/a6.437



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)


(Homo sapiens (Human))
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 9.00E+3n/an/an/an/a6.437



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)
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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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)


(Homo sapiens (Human))
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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n/an/a 9.50E+3n/an/an/an/a6.437



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)


(Homo sapiens (Human))
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 1.02E+4n/an/an/an/a6.437



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)


(Homo sapiens (Human))
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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Article
PubMed
n/an/a 1.16E+4n/an/an/an/a6.437



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)
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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PubMed
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)


(Homo sapiens (Human))
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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PubMed
n/an/a 1.57E+4n/an/an/an/a6.437



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
* indicates data uncertainty>20%