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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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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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PubMed
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...


Citation and Details
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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PubMed
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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PubMed
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...


Citation and Details
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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PubMed
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


Citation and Details
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...


Citation and Details
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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PubMed
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...


Citation and Details
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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PubMed
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...


Citation and Details
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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PubMed
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...


Citation and Details
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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PubMed
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...


Citation and Details
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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PubMed
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...


Citation and Details
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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PubMed
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...


Citation and Details
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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PubMed
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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PubMed
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...


Citation and Details
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...


Citation and Details
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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PubMed
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...


Citation and Details
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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PubMed
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...


Citation and Details
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...


Citation and Details
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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PubMed
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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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