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Compile Data Set for Download or QSAR

Found 50 hits of ph data with Target = 'Thymidine Phosphorylase (TP)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thymidine Phosphorylase (TP)


(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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Article
PubMed
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)


Article DOI: 10.1021/jm070644i
BindingDB Entry DOI: 10.7270/Q2M043PX
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)


Article DOI: 10.1021/jm070644i
BindingDB Entry DOI: 10.7270/Q2M043PX
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)


Article DOI: 10.1021/jm070644i
BindingDB Entry DOI: 10.7270/Q2M043PX
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)


Article DOI: 10.1021/jm070644i
BindingDB Entry DOI: 10.7270/Q2M043PX
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)


Article DOI: 10.1021/jm070644i
BindingDB Entry DOI: 10.7270/Q2M043PX
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)


Article DOI: 10.1021/jm070644i
BindingDB Entry DOI: 10.7270/Q2M043PX
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)


Article DOI: 10.1021/jm070644i
BindingDB Entry DOI: 10.7270/Q2M043PX
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)


Article DOI: 10.1021/jm070644i
BindingDB Entry DOI: 10.7270/Q2M043PX
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)


Article DOI: 10.1021/jm070644i
BindingDB Entry DOI: 10.7270/Q2M043PX
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)


Article DOI: 10.1021/jm070644i
BindingDB Entry DOI: 10.7270/Q2M043PX
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)


Article DOI: 10.1021/jm070644i
BindingDB Entry DOI: 10.7270/Q2M043PX
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)


Article DOI: 10.1021/jm070644i
BindingDB Entry DOI: 10.7270/Q2M043PX
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)


Article DOI: 10.1021/jm070644i
BindingDB Entry DOI: 10.7270/Q2M043PX
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)


Article DOI: 10.1021/jm070644i
BindingDB Entry DOI: 10.7270/Q2M043PX
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)


Article DOI: 10.1021/jm070644i
BindingDB Entry DOI: 10.7270/Q2M043PX
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)


Article DOI: 10.1021/jm070644i
BindingDB Entry DOI: 10.7270/Q2M043PX
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)


Article DOI: 10.1021/jm070644i
BindingDB Entry DOI: 10.7270/Q2M043PX
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)


Article DOI: 10.1021/jm070644i
BindingDB Entry DOI: 10.7270/Q2M043PX
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...


J Med Chem 50: 6016-23 (2007)


Article DOI: 10.1021/jm070644i
BindingDB Entry DOI: 10.7270/Q2M043PX
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...


J Med Chem 50: 6016-23 (2007)


Article DOI: 10.1021/jm070644i
BindingDB Entry DOI: 10.7270/Q2M043PX
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)


Article DOI: 10.1021/jm070644i
BindingDB Entry DOI: 10.7270/Q2M043PX
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)


Article DOI: 10.1021/jm070644i
BindingDB Entry DOI: 10.7270/Q2M043PX
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)


Article DOI: 10.1021/jm070644i
BindingDB Entry DOI: 10.7270/Q2M043PX
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)


Article DOI: 10.1021/jm070644i
BindingDB Entry DOI: 10.7270/Q2M043PX
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)


Article DOI: 10.1021/jm070644i
BindingDB Entry DOI: 10.7270/Q2M043PX
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)


Article DOI: 10.1021/jm070644i
BindingDB Entry DOI: 10.7270/Q2M043PX
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)


(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)


(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))
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))
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))
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)


(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))
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)


(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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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
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))
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)


(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)


(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))
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)


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


(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))
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))
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)


(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))
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