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PubMed code 14552762

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thymidine phosphorylase


(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 |c:1|
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)


BindingDB Entry DOI: 10.7270/Q2SQ90ZZ
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(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)


BindingDB Entry DOI: 10.7270/Q2SQ90ZZ
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50134398
PNG
(1-methyl-2,5-dioxo-4-pentylimidazolidine-4-carbald...)
Show SMILES CCCCCC1(NC(=O)N(C)C1=O)C=NNC(N)=O |w:14.15|
Show InChI InChI=1S/C11H19N5O3/c1-3-4-5-6-11(7-13-15-9(12)18)8(17)16(2)10(19)14-11/h7H,3-6H2,1-2H3,(H,14,19)(H3,12,15,18)
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1.25E+7n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli phosphorylase


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


BindingDB Entry DOI: 10.7270/Q2SQ90ZZ
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50134398
PNG
(1-methyl-2,5-dioxo-4-pentylimidazolidine-4-carbald...)
Show SMILES CCCCCC1(NC(=O)N(C)C1=O)C=NNC(N)=O |w:14.15|
Show InChI InChI=1S/C11H19N5O3/c1-3-4-5-6-11(7-13-15-9(12)18)8(17)16(2)10(19)14-11/h7H,3-6H2,1-2H3,(H,14,19)(H3,12,15,18)
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2.50E+7n/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)


BindingDB Entry DOI: 10.7270/Q2SQ90ZZ
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Mus musculus)
BDBM50134397
PNG
(5-Methyl-1H-pyrimidine-2,4-dione | CHEMBL993 | THY...)
Show SMILES Cc1c[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
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3.47E+8n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse liver thymidine phosphorylase at 0.15 mM thymidine substrate


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


BindingDB Entry DOI: 10.7270/Q2SQ90ZZ
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50122764
PNG
(2-Amino-1-(5-bromo-2,6-dioxo-1,2,3,6-tetrahydro-py...)
Show SMILES Nc1[nH+]ccn1Cc1[nH]c(=O)[nH]c(=O)c1Br
Show InChI InChI=1S/C8H8BrN5O2/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)/p+1
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n/an/a 19n/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)


BindingDB Entry DOI: 10.7270/Q2SQ90ZZ
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(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 |c:1|
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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n/an/a 20n/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)


BindingDB Entry DOI: 10.7270/Q2SQ90ZZ
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50134399
PNG
(1,7-Dihydro-pyrrolo[2,3-d]pyrimidine-2,4-dione | 7...)
Show SMILES O=c1[nH]c2[nH]ccc2c(=O)[nH]1
Show InChI InChI=1S/C6H5N3O2/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H,(H3,7,8,9,10,11)
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n/an/a 6.30E+3n/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)


BindingDB Entry DOI: 10.7270/Q2SQ90ZZ
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(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
n/an/a 6.60E+3n/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)


BindingDB Entry DOI: 10.7270/Q2SQ90ZZ
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50134398
PNG
(1-methyl-2,5-dioxo-4-pentylimidazolidine-4-carbald...)
Show SMILES CCCCCC1(NC(=O)N(C)C1=O)C=NNC(N)=O |w:14.15|
Show InChI InChI=1S/C11H19N5O3/c1-3-4-5-6-11(7-13-15-9(12)18)8(17)16(2)10(19)14-11/h7H,3-6H2,1-2H3,(H,14,19)(H3,12,15,18)
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n/an/a 1.96E+4n/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)


BindingDB Entry DOI: 10.7270/Q2SQ90ZZ
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50134398
PNG
(1-methyl-2,5-dioxo-4-pentylimidazolidine-4-carbald...)
Show SMILES CCCCCC1(NC(=O)N(C)C1=O)C=NNC(N)=O |w:14.15|
Show InChI InChI=1S/C11H19N5O3/c1-3-4-5-6-11(7-13-15-9(12)18)8(17)16(2)10(19)14-11/h7H,3-6H2,1-2H3,(H,14,19)(H3,12,15,18)
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n/an/a 7.70E+4n/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)


BindingDB Entry DOI: 10.7270/Q2SQ90ZZ
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50134396
PNG
(1-Allyl-3-(2,4,6-trioxo-tetrahydro-pyrimidin-5-yli...)
Show SMILES [#6]=[#6]-[#6]-[#7]-[#6](=S)-[#7]\[#6]=[#6]-1\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-1=O
Show InChI InChI=1S/C9H10N4O3S/c1-2-3-10-9(17)11-4-5-6(14)12-8(16)13-7(5)15/h2,4H,1,3H2,(H2,10,11,17)(H2,12,13,14,15,16)
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PubMed
n/an/a 9.48E+4n/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)


BindingDB Entry DOI: 10.7270/Q2SQ90ZZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%