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Compile Data Set for Download or QSAR

Found 218 hits Enz. Inhib. hit(s) with Target = 'Thymidine phosphorylase (TP)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)


(Homo sapiens (human))
BDBM20079
PNG
(5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]-1,2,3,...)
Show SMILES Clc1c(CN2CCCC2=N)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11ClN4O2/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11/h11H,1-4H2,(H2,12,13,15,16)
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1.30 -52.8n/an/an/an/an/a6.437



Gilead Sciences Inc.



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...


J Med Chem 50: 6016-23 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM50121753
PNG
(1-(5-Chloro-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin...)
Show SMILES NC1=[N+](Cc2[nH]c(=O)[nH]c(=O)c2Cl)CCC1
Show InChI InChI=1S/C9H11ClN4O2/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11/h11H,1-4H2,(H2,12,13,15,16)/p+1
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5n/an/an/an/an/an/an/an/a



Attenuon, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant thymidine phosphorylase TP


Bioorg Med Chem Lett 13: 107-10 (2002)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20079
PNG
(5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]-1,2,3,...)
Show SMILES Clc1c(CN2CCCC2=N)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11ClN4O2/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11/h11H,1-4H2,(H2,12,13,15,16)
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17n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thymidine phosphorylase


Bioorg Med Chem Lett 20: 862-5 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM50121753
PNG
(1-(5-Chloro-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin...)
Show SMILES NC1=[N+](Cc2[nH]c(=O)[nH]c(=O)c2Cl)CCC1
Show InChI InChI=1S/C9H11ClN4O2/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11/h11H,1-4H2,(H2,12,13,15,16)/p+1
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17n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against human thymidine phosphorylase


Bioorg Med Chem Lett 13: 3705-9 (2003)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM50313094
PNG
(5-fluoro-6-[(2-aminoimidazol-1-yl)methyl]uracil | ...)
Show SMILES Nc1nccn1Cc1[nH]c(=O)[nH]c(=O)c1F
Show InChI InChI=1S/C8H8FN5O2/c9-5-4(12-8(16)13-6(5)15)3-14-2-1-11-7(14)10/h1-2H,3H2,(H2,10,11)(H2,12,13,15,16)
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17n/an/an/an/an/an/an/an/a



University at Buffalo

Curated by ChEMBL


Assay Description
Inhibition of human thymidine phosphorylase


Bioorg Med Chem Lett 20: 1648-51 (2010)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20079
PNG
(5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]-1,2,3,...)
Show SMILES Clc1c(CN2CCCC2=N)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11ClN4O2/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11/h11H,1-4H2,(H2,12,13,15,16)
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20n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against thymidine phosphorylase


J Med Chem 48: 392-402 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20079
PNG
(5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]-1,2,3,...)
Show SMILES Clc1c(CN2CCCC2=N)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11ClN4O2/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11/h11H,1-4H2,(H2,12,13,15,16)
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20n/an/an/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thymidine phosphorylase by [3H]thymidine incorporation assay


Eur J Med Chem 43: 1248-60 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20061
PNG
(5-Substituted-6-chlorouracil, 7a | 6-chloro-5-(cyc...)
Show SMILES Clc1[nH]c(=O)[nH]c(=O)c1C1=CCCC1
Show InChI InChI=1S/C9H9ClN2O2/c10-7-6(5-3-1-2-4-5)8(13)12-9(14)11-7/h3H,1-2,4H2,(H2,11,12,13,14)
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200 -39.8n/an/an/an/an/a6.437



Gilead Sciences Inc.



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...


J Med Chem 50: 6016-23 (2007)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM50310201
PNG
((1-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-...)
Show SMILES CC(Cn1cc(C)c(=O)[nH]c1=O)OCP(O)(O)=O
Show InChI InChI=1S/C9H15N2O6P/c1-6-3-11(9(13)10-8(6)12)4-7(2)17-5-18(14,15)16/h3,7H,4-5H2,1-2H3,(H,10,12,13)(H2,14,15,16)
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236n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thymidine phosphorylase


Bioorg Med Chem Lett 20: 862-5 (2010)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM50310203
PNG
(8-(5-bromo-3-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydro...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c(=O)n(CCCCCCCCP(O)(O)=O)c1=O
Show InChI InChI=1S/C17H28BrN2O9P/c18-11-9-20(16-14(23)13(22)12(10-21)29-16)17(25)19(15(11)24)7-5-3-1-2-4-6-8-30(26,27)28/h9,12-14,16,21-23H,1-8,10H2,(H2,26,27,28)/t12-,13-,14-,16-/m1/s1
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236n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thymidine phosphorylase


Bioorg Med Chem Lett 20: 862-5 (2010)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM50310202
PNG
((2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-...)
Show SMILES Cc1cn(CCOCP(O)(O)=O)c(=O)[nH]c1=O
Show InChI InChI=1S/C8H13N2O6P/c1-6-4-10(8(12)9-7(6)11)2-3-16-5-17(13,14)15/h4H,2-3,5H2,1H3,(H,9,11,12)(H2,13,14,15)
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236n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thymidine phosphorylase


Bioorg Med Chem Lett 20: 862-5 (2010)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM50310200
PNG
((1-hydroxy-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimi...)
Show SMILES Cc1cn(CC(CO)OCP(O)(O)=O)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H15N2O7P/c1-6-2-11(9(14)10-8(6)13)3-7(4-12)18-5-19(15,16)17/h2,7,12H,3-5H2,1H3,(H,10,13,14)(H2,15,16,17)
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236n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thymidine phosphorylase


Bioorg Med Chem Lett 20: 862-5 (2010)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM50310199
PNG
((1-fluoro-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimid...)
Show SMILES Cc1cn(CC(CF)OCP(O)(O)=O)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H14FN2O6P/c1-6-3-12(9(14)11-8(6)13)4-7(2-10)18-5-19(15,16)17/h3,7H,2,4-5H2,1H3,(H,11,13,14)(H2,15,16,17)
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236n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thymidine phosphorylase


Bioorg Med Chem Lett 20: 862-5 (2010)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM50201010
PNG
(((2R,3aR,4R,6R,6aR)-4-(hydroxymethyl)-6-(5-methyl-...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@H]3O[C@@H](CP(O)(O)=O)O[C@@H]23)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H17N2O9P/c1-5-2-14(12(17)13-10(5)16)11-9-8(6(3-15)21-11)22-7(23-9)4-24(18,19)20/h2,6-9,11,15H,3-4H2,1H3,(H,13,16,17)(H2,18,19,20)/t6-,7-,8-,9-,11-/m1/s1
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236n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thymidine phosphorylase


Bioorg Med Chem Lett 20: 862-5 (2010)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM50201010
PNG
(((2R,3aR,4R,6R,6aR)-4-(hydroxymethyl)-6-(5-methyl-...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@H]3O[C@@H](CP(O)(O)=O)O[C@@H]23)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H17N2O9P/c1-5-2-14(12(17)13-10(5)16)11-9-8(6(3-15)21-11)22-7(23-9)4-24(18,19)20/h2,6-9,11,15H,3-4H2,1H3,(H,13,16,17)(H2,18,19,20)/t6-,7-,8-,9-,11-/m1/s1
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236n/an/an/an/an/an/an/an/a



Attenuon, LLC

Curated by ChEMBL


Assay Description
Inhibition of human thymidine phosphorylase by continuous spectrophotometric assay


J Med Chem 49: 7807-15 (2006)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20069
PNG
(5-Substituted-6-chlorouracil, 10e | 6-chloro-5-(th...)
Show SMILES Clc1[nH]c(=O)[nH]c(=O)c1-c1cccs1
Show InChI InChI=1S/C8H5ClN2O2S/c9-6-5(4-2-1-3-14-4)7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13)
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280 -38.9n/an/an/an/an/a6.437



Gilead Sciences Inc.



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...


J Med Chem 50: 6016-23 (2007)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20065
PNG
(5-Substituted-6-chlorouracil, 10a | 6-chloro-5-phe...)
Show SMILES Clc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1
Show InChI InChI=1S/C10H7ClN2O2/c11-8-7(6-4-2-1-3-5-6)9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)
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400 -38.0n/an/an/an/an/a6.437



Gilead Sciences Inc.



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...


J Med Chem 50: 6016-23 (2007)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20073
PNG
(5-Substituted-6-chlorouracil, 13c | 6-chloro-5-[(1...)
Show SMILES CCCC=Cc1c(Cl)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11ClN2O2/c1-2-3-4-5-6-7(10)11-9(14)12-8(6)13/h4-5H,2-3H2,1H3,(H2,11,12,13,14)
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410 -37.9n/an/an/an/an/a6.437



Gilead Sciences Inc.



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...


J Med Chem 50: 6016-23 (2007)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20062
PNG
(5-Substituted-6-chlorouracil, 7b | 6-chloro-5-(cyc...)
Show SMILES Clc1[nH]c(=O)[nH]c(=O)c1C1=CCCCC1
Show InChI InChI=1S/C10H11ClN2O2/c11-8-7(6-4-2-1-3-5-6)9(14)13-10(15)12-8/h4H,1-3,5H2,(H2,12,13,14,15)
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420 -37.9n/an/an/an/an/a6.437



Gilead Sciences Inc.



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...


J Med Chem 50: 6016-23 (2007)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20064
PNG
(5-Substituted-6-chlorouracil, 7d | 6-chloro-5-[(2E...)
Show SMILES CCC(=CC)c1c(Cl)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11ClN2O2/c1-3-5(4-2)6-7(10)11-9(14)12-8(6)13/h3H,4H2,1-2H3,(H2,11,12,13,14)
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490 -37.5n/an/an/an/an/a6.437



Gilead Sciences Inc.



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...


J Med Chem 50: 6016-23 (2007)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20075
PNG
(6-Fluoro-5-phenylpyrimidine-2,4(1H,3H)-dione, 21 |...)
Show SMILES Fc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1
Show InChI InChI=1S/C10H7FN2O2/c11-8-7(6-4-2-1-3-5-6)9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)
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500 -37.4n/an/an/an/an/a6.437



Gilead Sciences Inc.



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...


J Med Chem 50: 6016-23 (2007)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20072
PNG
(5-Substituted-6-chlorouracil, 13b | 5-[(1E)-but-1-...)
Show SMILES CCC=Cc1c(Cl)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C8H9ClN2O2/c1-2-3-4-5-6(9)10-8(13)11-7(5)12/h3-4H,2H2,1H3,(H2,10,11,12,13)
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630 -36.8n/an/an/an/an/a6.437



Gilead Sciences Inc.



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...


J Med Chem 50: 6016-23 (2007)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20068
PNG
(5-Substituted-6-chlorouracil, 10d | 6-chloro-5-(4-...)
Show SMILES Fc1ccc(cc1)-c1c(Cl)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C10H6ClFN2O2/c11-8-7(9(15)14-10(16)13-8)5-1-3-6(12)4-2-5/h1-4H,(H2,13,14,15,16)
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710 -36.5n/an/an/an/an/a6.437



Gilead Sciences Inc.



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...


J Med Chem 50: 6016-23 (2007)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM50117689
PNG
(CHEMBL87371 | Thiophene-2-sulfonic acid [(E)-3-(3'...)
Show SMILES Clc1ccc(cc1Cl)-c1ccccc1\C=C\C(=O)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C19H13Cl2NO3S2/c20-16-9-7-14(12-17(16)21)15-5-2-1-4-13(15)8-10-18(23)22-27(24,25)19-6-3-11-26-19/h1-12H,(H,22,23)/b10-8+
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770n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound was determined against Prostanoid TP receptor


Bioorg Med Chem Lett 12: 2583-6 (2002)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20056
PNG
(5-Substituted-6-chlorouracil, 5c | 5-butyl-6-chlor...)
Show SMILES CCCCc1c(Cl)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C8H11ClN2O2/c1-2-3-4-5-6(9)10-8(13)11-7(5)12/h2-4H2,1H3,(H2,10,11,12,13)
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1.03E+3 -35.5n/an/an/an/an/a6.437



Gilead Sciences Inc.



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...


J Med Chem 50: 6016-23 (2007)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM50201013
PNG
(((2S,3aR,4S,6R,6aR)-4-(hydroxymethyl)-6-(5-methyl-...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@H]3C[C@@H](CP(O)(O)=O)O[C@@H]23)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H19N2O8P/c1-6-3-15(13(18)14-11(6)17)12-10-8(9(4-16)23-12)2-7(22-10)5-24(19,20)21/h3,7-10,12,16H,2,4-5H2,1H3,(H,14,17,18)(H2,19,20,21)/t7-,8+,9+,10+,12+/m0/s1
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1.05E+3n/an/an/an/an/an/an/an/a



Attenuon, LLC

Curated by ChEMBL


Assay Description
Inhibition of human thymidine phosphorylase by continuous spectrophotometric assay


J Med Chem 49: 7807-15 (2006)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20059
PNG
(5-Substituted-6-chlorouracil, 5f | 6-chloro-5-hept...)
Show SMILES CCCCCCCc1c(Cl)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C11H17ClN2O2/c1-2-3-4-5-6-7-8-9(12)13-11(16)14-10(8)15/h2-7H2,1H3,(H2,13,14,15,16)
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1.06E+3 -35.5n/an/an/an/an/a6.437



Gilead Sciences Inc.



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...


J Med Chem 50: 6016-23 (2007)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20071
PNG
(5-Substituted-6-chlorouracil, 13a | 6-chloro-5-[(1...)
Show SMILES CC=Cc1c(Cl)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C7H7ClN2O2/c1-2-3-4-5(8)9-7(12)10-6(4)11/h2-3H,1H3,(H2,9,10,11,12)
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1.17E+3 -35.2n/an/an/an/an/a6.437



Gilead Sciences Inc.



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...


J Med Chem 50: 6016-23 (2007)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20076
PNG
(6-Bromo-5-phenylpyrimidine-2,4(1H,3H)-dione, 23 | ...)
Show SMILES Brc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1
Show InChI InChI=1S/C10H7BrN2O2/c11-8-7(6-4-2-1-3-5-6)9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)
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1.21E+3 -35.1n/an/an/an/an/a6.437



Gilead Sciences Inc.



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...


J Med Chem 50: 6016-23 (2007)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM50004462
PNG
(CHEMBL3233329)
Show SMILES NC(=S)Nc1nn2c([nH]c(=S)[nH]c2=O)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N6OS2/c15-14(16,17)7-3-1-6(2-4-7)5-8-9(19-11(18)25)22-23-10(8)20-12(26)21-13(23)24/h1-4H,5H2,(H3,18,19,22,25)(H2,20,21,24,26)
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1.65E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human recombinant thymidine phosphorylase expressed in Escherichia coli assessed as conversion of thymidide to thymine by Li...


Eur J Med Chem 78: 294-303 (2014)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20066
PNG
(5-Substituted-6-chlorouracil, 10b | 6-chloro-5-(3,...)
Show SMILES Cc1cc(C)cc(c1)-c1c(Cl)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C12H11ClN2O2/c1-6-3-7(2)5-8(4-6)9-10(13)14-12(17)15-11(9)16/h3-5H,1-2H3,(H2,14,15,16,17)
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1.74E+3 -34.2n/an/an/an/an/a6.437



Gilead Sciences Inc.



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...


J Med Chem 50: 6016-23 (2007)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM50004460
PNG
(CHEMBL3233327)
Show SMILES Clc1ccc(cc1Cl)-c1cc2[nH]c(=S)[nH]c(=O)n2n1
Show InChI InChI=1S/C11H6Cl2N4OS/c12-6-2-1-5(3-7(6)13)8-4-9-14-10(19)15-11(18)17(9)16-8/h1-4H,(H2,14,15,18,19)
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1.77E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human recombinant thymidine phosphorylase expressed in Escherichia coli assessed as conversion of thymidide to thymine by Li...


Eur J Med Chem 78: 294-303 (2014)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20058
PNG
(5-Substituted-6-chlorouracil, 5e | 6-chloro-5-hexy...)
Show SMILES CCCCCCc1c(Cl)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15ClN2O2/c1-2-3-4-5-6-7-8(11)12-10(15)13-9(7)14/h2-6H2,1H3,(H2,12,13,14,15)
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1.83E+3 -34.1n/an/an/an/an/a6.437



Gilead Sciences Inc.



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...


J Med Chem 50: 6016-23 (2007)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
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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2.60E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli thymidine phosphorylase


Bioorg Med Chem Lett 13: 3705-9 (2003)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20070
PNG
(5-Substituted-6-chlorouracil, 10f | 6-chloro-5-(py...)
Show SMILES Clc1[nH]c(=O)[nH]c(=O)c1-c1cccnc1
Show InChI InChI=1S/C9H6ClN3O2/c10-7-6(5-2-1-3-11-4-5)8(14)13-9(15)12-7/h1-4H,(H2,12,13,14,15)
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3.01E+3 -32.8n/an/an/an/an/a6.437



Gilead Sciences Inc.



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...


J Med Chem 50: 6016-23 (2007)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20063
PNG
(5-Substituted-6-chlorouracil, 7c | 6-chloro-5-(pro...)
Show SMILES CC(=C)c1c(Cl)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C7H7ClN2O2/c1-3(2)4-5(8)9-7(12)10-6(4)11/h1H2,2H3,(H2,9,10,11,12)
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3.34E+3 -32.5n/an/an/an/an/a6.437



Gilead Sciences Inc.



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...


J Med Chem 50: 6016-23 (2007)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20057
PNG
(5-Substituted-6-chlorouracil, 5d | 6-chloro-5-pent...)
Show SMILES CCCCCc1c(Cl)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C9H13ClN2O2/c1-2-3-4-5-6-7(10)11-9(14)12-8(6)13/h2-5H2,1H3,(H2,11,12,13,14)
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3.67E+3 -32.3n/an/an/an/an/a6.437



Gilead Sciences Inc.



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...


J Med Chem 50: 6016-23 (2007)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20067
PNG
(5-Substituted-6-chlorouracil, 10c | 6-chloro-5-(na...)
Show SMILES Clc1[nH]c(=O)[nH]c(=O)c1-c1cccc2ccccc12
Show InChI InChI=1S/C14H9ClN2O2/c15-12-11(13(18)17-14(19)16-12)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,16,17,18,19)
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4.59E+3 -31.7n/an/an/an/an/a6.437



Gilead Sciences Inc.



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...


J Med Chem 50: 6016-23 (2007)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20060
PNG
(5-Substituted-6-chlorouracil, 5g | 5-benzyl-6-chlo...)
Show SMILES Clc1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C11H9ClN2O2/c12-9-8(10(15)14-11(16)13-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,13,14,15,16)
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4.65E+3 -31.7n/an/an/an/an/a6.437



Gilead Sciences Inc.



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...


J Med Chem 50: 6016-23 (2007)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20055
PNG
(5-Substituted-6-chlorouracil, 5b | 6-chloro-5-prop...)
Show SMILES CCCc1c(Cl)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C7H9ClN2O2/c1-2-3-4-5(8)9-7(12)10-6(4)11/h2-3H2,1H3,(H2,9,10,11,12)
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5.81E+3 -31.1n/an/an/an/an/a6.437



Gilead Sciences Inc.



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...


J Med Chem 50: 6016-23 (2007)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM50201015
PNG
(((2R,3aR,4R,6R,6aS)-6-(hydroxymethyl)-4-(5-methyl-...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@H]3O[C@@H](CP(O)(O)=O)C[C@@H]23)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H19N2O8P/c1-6-3-15(13(18)14-11(6)17)12-8-2-7(5-24(19,20)21)22-10(8)9(4-16)23-12/h3,7-10,12,16H,2,4-5H2,1H3,(H,14,17,18)(H2,19,20,21)/t7-,8-,9-,10+,12-/m1/s1
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8.03E+3n/an/an/an/an/an/an/an/a



Attenuon, LLC

Curated by ChEMBL


Assay Description
Inhibition of human thymidine phosphorylase by continuous spectrophotometric assay


J Med Chem 49: 7807-15 (2006)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM50439105
PNG
(CHEMBL2418061)
Show SMILES Clc1ccc(Cc2nc3[nH]c(=S)[nH]c(=O)n3n2)cc1Cl
Show InChI InChI=1S/C11H7Cl2N5OS/c12-6-2-1-5(3-7(6)13)4-8-14-9-15-10(20)16-11(19)18(9)17-8/h1-3H,4H2,(H2,14,15,16,17,19,20)
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1.96E+4n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant thymidine phosphorylase expressed in Escherichia coli using thymidine as substrate by Lineweaver-Burk plot anal...


Eur J Med Chem 67: 325-34 (2013)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20077
PNG
(5-Phenyl-6-pyrrolidin-1-ylpyrimidine-2,4(1H,3H)-di...)
Show SMILES O=c1[nH]c(N2CCCC2)c(-c2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C14H15N3O2/c18-13-11(10-6-2-1-3-7-10)12(15-14(19)16-13)17-8-4-5-9-17/h1-3,6-7H,4-5,8-9H2,(H2,15,16,18,19)
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>2.00E+4>-27.9n/an/an/an/an/a6.437



Gilead Sciences Inc.



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...


J Med Chem 50: 6016-23 (2007)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20078
PNG
(6-[(2-Aminoethyl)amino]-5-phenylpyrimidine-2,4(1H,...)
Show SMILES NCCNc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1
Show InChI InChI=1S/C12H14N4O2/c13-6-7-14-10-9(8-4-2-1-3-5-8)11(17)16-12(18)15-10/h1-5H,6-7,13H2,(H3,14,15,16,17,18)
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>2.00E+4>-27.9n/an/an/an/an/a6.437



Gilead Sciences Inc.



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...


J Med Chem 50: 6016-23 (2007)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20054
PNG
(5-Substituted-6-chlorouracil, 5a | 6-chloro-5-ethy...)
Show SMILES CCc1c(Cl)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C6H7ClN2O2/c1-2-3-4(7)8-6(11)9-5(3)10/h2H2,1H3,(H2,8,9,10,11)
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>2.00E+4>-27.9n/an/an/an/an/a6.437



Gilead Sciences Inc.



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...


J Med Chem 50: 6016-23 (2007)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM20074
PNG
(6-Methyl-5-phenylpyrimidine-2,4(1H,3H)-dione, 16 |...)
Show SMILES Cc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1
Show InChI InChI=1S/C11H10N2O2/c1-7-9(8-5-3-2-4-6-8)10(14)13-11(15)12-7/h2-6H,1H3,(H2,12,13,14,15)
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>2.00E+4>-27.9n/an/an/an/an/a6.437



Gilead Sciences Inc.



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...


J Med Chem 50: 6016-23 (2007)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM50439106
PNG
(CHEMBL2418074)
Show SMILES Clc1ccc(cc1Cl)-c1nc2[nH]c(=S)[nH]c(=O)n2n1
Show InChI InChI=1S/C10H5Cl2N5OS/c11-5-2-1-4(3-6(5)12)7-13-8-14-9(19)15-10(18)17(8)16-7/h1-3H,(H2,13,14,15,16,18,19)
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2.01E+4n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Mixed inhibition of human recombinant thymidine phosphorylase expressed in Escherichia coli using thymidine as substrate by Lineweaver-Burk plot anal...


Eur J Med Chem 67: 325-34 (2013)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM50201012
PNG
(((2R,3aR,4S,6R,6aR)-4-(hydroxymethyl)-6-(5-methyl-...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@H]3C[C@H](CP(O)(O)=O)O[C@@H]23)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H19N2O8P/c1-6-3-15(13(18)14-11(6)17)12-10-8(9(4-16)23-12)2-7(22-10)5-24(19,20)21/h3,7-10,12,16H,2,4-5H2,1H3,(H,14,17,18)(H2,19,20,21)/t7-,8-,9-,10-,12-/m1/s1
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3.34E+4n/an/an/an/an/an/an/an/a



Attenuon, LLC

Curated by ChEMBL


Assay Description
Inhibition of human thymidine phosphorylase by continuous spectrophotometric assay


J Med Chem 49: 7807-15 (2006)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM50201011
PNG
(2-((2R,3aR,4R,6R,6aR)-4-(hydroxymethyl)-6-(5-methy...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@H]3O[C@@H](CC(O)=O)O[C@@H]23)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H16N2O8/c1-5-3-15(13(20)14-11(5)19)12-10-9(6(4-16)21-12)22-8(23-10)2-7(17)18/h3,6,8-10,12,16H,2,4H2,1H3,(H,17,18)(H,14,19,20)/t6-,8-,9-,10-,12-/m1/s1
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4.35E+4n/an/an/an/an/an/an/an/a



Attenuon, LLC

Curated by ChEMBL


Assay Description
Inhibition of human thymidine phosphorylase by continuous spectrophotometric assay


J Med Chem 49: 7807-15 (2006)

More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM50121756
PNG
((benzylamino)[(2,4-dioxo-1,2,3,4-tetrahydrothieno[...)
Show SMILES NC(NCc1ccccc1)=[NH+]c1csc2c1[nH]c(=O)[nH]c2=O
Show InChI InChI=1S/C14H13N5O2S/c15-13(16-6-8-4-2-1-3-5-8)17-9-7-22-11-10(9)18-14(21)19-12(11)20/h1-5,7H,6H2,(H3,15,16,17)(H2,18,19,20,21)/p+1
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6.43E+4n/an/an/an/an/an/an/an/a



Attenuon, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant thymidine phosphorylase TP


Bioorg Med Chem Lett 13: 107-10 (2002)

More data for this
Ligand-Target Pair
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