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Compile Data Set for Download or QSAR

Found 61 hits with Last Name = 'gbaj' and Initial = 'a'   
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))
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)


Article DOI: 10.1016/j.ejmech.2007.07.015
BindingDB Entry DOI: 10.7270/Q2Z31ZDP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thymidine phosphorylase


(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)


Article DOI: 10.1021/jm049494r
BindingDB Entry DOI: 10.7270/Q2445N8K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thymidine phosphorylase


(Escherichia coli)
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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800n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli thymidine phosphorylase


J Med Chem 48: 392-402 (2005)


Article DOI: 10.1021/jm049494r
BindingDB Entry DOI: 10.7270/Q2445N8K
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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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
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
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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2.50E+4n/an/an/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase using hypoxanthine as a substrate


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


Article DOI: 10.1016/j.ejmech.2007.07.015
BindingDB Entry DOI: 10.7270/Q2Z31ZDP
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
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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7.00E+4n/an/an/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase using xanthine as a substrate


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


Article DOI: 10.1016/j.ejmech.2007.07.015
BindingDB Entry DOI: 10.7270/Q2Z31ZDP
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 1.90n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against recombinant purified E. coli Thymidine Phosphorylase


J Med Chem 46: 207-9 (2003)


Article DOI: 10.1021/jm020964w
BindingDB Entry DOI: 10.7270/Q24X574R
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 concentration against human thymidine phosphorylase


J Med Chem 48: 392-402 (2005)


Article DOI: 10.1021/jm049494r
BindingDB Entry DOI: 10.7270/Q2445N8K
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


(Escherichia coli)
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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n/an/a 20n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Thymidine phosphorylase from Escherichia coli


Bioorg Med Chem Lett 14: 5247-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.036
BindingDB Entry DOI: 10.7270/Q2PR7VGP
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(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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n/an/a 20n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against recombinant purified E. coli Thymidine Phosphorylase


J Med Chem 46: 207-9 (2003)


Article DOI: 10.1021/jm020964w
BindingDB Entry DOI: 10.7270/Q24X574R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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


(Escherichia coli)
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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n/an/a 20n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against thymidine phosphorylase of Escherichia coli


J Med Chem 48: 392-402 (2005)


Article DOI: 10.1021/jm049494r
BindingDB Entry DOI: 10.7270/Q2445N8K
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 20n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thymidine phosphorylase


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


Article DOI: 10.1016/j.ejmech.2007.07.015
BindingDB Entry DOI: 10.7270/Q2Z31ZDP
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50122771
PNG
(2-Amino-1-(5-chloro-2,6-dioxo-1,2,3,6-tetrahydro-p...)
Show SMILES Nc1[nH+]ccn1Cc1[nH]c(=O)[nH]c(=O)c1Cl
Show InChI InChI=1S/C8H8ClN5O2/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 21n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against recombinant purified E. coli Thymidine Phosphorylase


J Med Chem 46: 207-9 (2003)


Article DOI: 10.1021/jm020964w
BindingDB Entry DOI: 10.7270/Q24X574R
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(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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n/an/a 23n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against human thymidine phosphorylase


J Med Chem 48: 392-402 (2005)


Article DOI: 10.1021/jm049494r
BindingDB Entry DOI: 10.7270/Q2445N8K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thymidine phosphorylase


(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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n/an/a 35n/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)


Article DOI: 10.1016/j.ejmech.2007.07.015
BindingDB Entry DOI: 10.7270/Q2Z31ZDP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50122771
PNG
(2-Amino-1-(5-chloro-2,6-dioxo-1,2,3,6-tetrahydro-p...)
Show SMILES Nc1[nH+]ccn1Cc1[nH]c(=O)[nH]c(=O)c1Cl
Show InChI InChI=1S/C8H8ClN5O2/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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PubMed
n/an/a 49n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against human thymidine phosphorylase


J Med Chem 48: 392-402 (2005)


Article DOI: 10.1021/jm049494r
BindingDB Entry DOI: 10.7270/Q2445N8K
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50122768
PNG
(2-Amino-1-(2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-...)
Show SMILES Nc1[nH+]ccn1Cc1cc(=O)[nH]c(=O)[nH]1
Show InChI InChI=1S/C8H9N5O2/c9-7-10-1-2-13(7)4-5-3-6(14)12-8(15)11-5/h1-3H,4H2,(H2,9,10)(H2,11,12,14,15)/p+1
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PubMed
n/an/a 100n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against human thymidine phosphorylase


J Med Chem 48: 392-402 (2005)


Article DOI: 10.1021/jm049494r
BindingDB Entry DOI: 10.7270/Q2445N8K
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50122768
PNG
(2-Amino-1-(2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-...)
Show SMILES Nc1[nH+]ccn1Cc1cc(=O)[nH]c(=O)[nH]1
Show InChI InChI=1S/C8H9N5O2/c9-7-10-1-2-13(7)4-5-3-6(14)12-8(15)11-5/h1-3H,4H2,(H2,9,10)(H2,11,12,14,15)/p+1
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n/an/a 560n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against recombinant purified E. coli Thymidine Phosphorylase


J Med Chem 46: 207-9 (2003)


Article DOI: 10.1021/jm020964w
BindingDB Entry DOI: 10.7270/Q24X574R
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli)
BDBM50122768
PNG
(2-Amino-1-(2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-...)
Show SMILES Nc1[nH+]ccn1Cc1cc(=O)[nH]c(=O)[nH]1
Show InChI InChI=1S/C8H9N5O2/c9-7-10-1-2-13(7)4-5-3-6(14)12-8(15)11-5/h1-3H,4H2,(H2,9,10)(H2,11,12,14,15)/p+1
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n/an/a 560n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against thymidine phosphorylase of Escherichia coli


J Med Chem 48: 392-402 (2005)


Article DOI: 10.1021/jm049494r
BindingDB Entry DOI: 10.7270/Q2445N8K
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli)
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 1.60E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Thymidine phosphorylase from Escherichia coli


Bioorg Med Chem Lett 14: 5247-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.036
BindingDB Entry DOI: 10.7270/Q2PR7VGP
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50122765
PNG
(6-(2-Nitro-imidazol-1-ylmethyl)-1H-pyrimidine-2,4-...)
Show SMILES [O-][N+](=O)c1nccn1Cc1cc(=[OH+])[n-]c(=[OH+])[n-]1
Show InChI InChI=1S/C8H7N5O4/c14-6-3-5(10-7(15)11-6)4-12-2-1-9-8(12)13(16)17/h1-3H,4H2,(H2,10,11,14,15)
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against recombinant purified E. coli Thymidine Phosphorylase


J Med Chem 46: 207-9 (2003)


Article DOI: 10.1021/jm020964w
BindingDB Entry DOI: 10.7270/Q24X574R
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli)
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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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against thymidine phosphorylase of Escherichia coli


J Med Chem 48: 392-402 (2005)


Article DOI: 10.1021/jm049494r
BindingDB Entry DOI: 10.7270/Q2445N8K
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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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against recombinant purified E. coli Thymidine Phosphorylase


J Med Chem 46: 207-9 (2003)


Article DOI: 10.1021/jm020964w
BindingDB Entry DOI: 10.7270/Q24X574R
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli)
BDBM50122765
PNG
(6-(2-Nitro-imidazol-1-ylmethyl)-1H-pyrimidine-2,4-...)
Show SMILES [O-][N+](=O)c1nccn1Cc1cc(=[OH+])[n-]c(=[OH+])[n-]1
Show InChI InChI=1S/C8H7N5O4/c14-6-3-5(10-7(15)11-6)4-12-2-1-9-8(12)13(16)17/h1-3H,4H2,(H2,10,11,14,15)
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against thymidine phosphorylase of Escherichia coli


J Med Chem 48: 392-402 (2005)


Article DOI: 10.1021/jm049494r
BindingDB Entry DOI: 10.7270/Q2445N8K
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


(Escherichia coli)
BDBM50159217
PNG
(4-Amino-1-(5-bromo-2,6-dioxo-1,2,3,6-tetrahydro-py...)
Show SMILES Nc1c[n+](Cc2[nH]c(=O)[nH]c(=O)c2Br)c[nH]1
Show InChI InChI=1S/C8H8BrN5O2/c9-6-4(12-8(16)13-7(6)15)1-14-2-5(10)11-3-14/h2-3H,1,10H2,(H2,12,13,15,16)/p+1
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PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against thymidine phosphorylase of Escherichia coli


J Med Chem 48: 392-402 (2005)


Article DOI: 10.1021/jm049494r
BindingDB Entry DOI: 10.7270/Q2445N8K
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli)
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 6.50E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Thymidine phosphorylase from Escherichia coli


Bioorg Med Chem Lett 14: 5247-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.036
BindingDB Entry DOI: 10.7270/Q2PR7VGP
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli)
BDBM50159222
PNG
(5-Bromo-6-(4-nitro-imidazol-1-ylmethyl)-1H-pyrimid...)
Show SMILES [O-][N+](=O)c1cn(Cc2[n-]c(=[OH+])[nH]c(=O)c2Br)cn1
Show InChI InChI=1S/C8H6BrN5O4/c9-6-4(11-8(16)12-7(6)15)1-13-2-5(10-3-13)14(17)18/h2-3H,1H2,(H2,11,12,15,16)
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n/an/a 6.60E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against thymidine phosphorylase of Escherichia coli


J Med Chem 48: 392-402 (2005)


Article DOI: 10.1021/jm049494r
BindingDB Entry DOI: 10.7270/Q2445N8K
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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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))
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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n/an/a 6.80E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against human thymidine phosphorylase


J Med Chem 48: 392-402 (2005)


Article DOI: 10.1021/jm049494r
BindingDB Entry DOI: 10.7270/Q2445N8K
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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n/an/a 6.80E+3n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thymidine phosphorylase


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


Article DOI: 10.1016/j.ejmech.2007.07.015
BindingDB Entry DOI: 10.7270/Q2Z31ZDP
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli)
BDBM50159219
PNG
(5-Chloro-6-(4-nitro-imidazol-1-ylmethyl)-1H-pyrimi...)
Show SMILES [O-][N+](=O)c1cn(Cc2[n-]c(=[OH+])[nH]c(=O)c2Cl)cn1
Show InChI InChI=1S/C8H6ClN5O4/c9-6-4(11-8(16)12-7(6)15)1-13-2-5(10-3-13)14(17)18/h2-3H,1H2,(H2,11,12,15,16)
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against thymidine phosphorylase of Escherichia coli


J Med Chem 48: 392-402 (2005)


Article DOI: 10.1021/jm049494r
BindingDB Entry DOI: 10.7270/Q2445N8K
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli)
BDBM50159220
PNG
(4-Amino-1-(5-chloro-2,6-dioxo-1,2,3,6-tetrahydro-p...)
Show SMILES Nc1c[n+](Cc2[nH]c(=O)[nH]c(=O)c2Cl)c[nH]1
Show InChI InChI=1S/C8H8ClN5O2/c9-6-4(12-8(16)13-7(6)15)1-14-2-5(10)11-3-14/h2-3H,1,10H2,(H2,12,13,15,16)/p+1
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against thymidine phosphorylase of Escherichia coli


J Med Chem 48: 392-402 (2005)


Article DOI: 10.1021/jm049494r
BindingDB Entry DOI: 10.7270/Q2445N8K
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli)
BDBM50159218
PNG
(6-(4-Nitro-imidazol-1-ylmethyl)-1H-pyrimidine-2,4-...)
Show SMILES [O-][N+](=O)c1cn(Cc2cc(=[OH+])[n-]c(=[OH+])[n-]2)cn1
Show InChI InChI=1S/C8H7N5O4/c14-7-1-5(10-8(15)11-7)2-12-3-6(9-4-12)13(16)17/h1,3-4H,2H2,(H2,10,11,14,15)
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n/an/a 1.38E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against thymidine phosphorylase of Escherichia coli


J Med Chem 48: 392-402 (2005)


Article DOI: 10.1021/jm049494r
BindingDB Entry DOI: 10.7270/Q2445N8K
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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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against human thymidine phosphorylase


J Med Chem 48: 392-402 (2005)


Article DOI: 10.1021/jm049494r
BindingDB Entry DOI: 10.7270/Q2445N8K
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))
BDBM50122767
PNG
(5-Chloro-6-(2-nitro-imidazol-1-ylmethyl)-1H-pyrimi...)
Show SMILES [O-][N+](=O)c1nccn1Cc1[n-]c(=[OH+])[nH]c(=O)c1Cl
Show InChI InChI=1S/C8H6ClN5O4/c9-5-4(11-7(16)12-6(5)15)3-13-2-1-10-8(13)14(17)18/h1-2H,3H2,(H2,11,12,15,16)
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n/an/a 2.17E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against recombinant purified E. coli Thymidine Phosphorylase


J Med Chem 46: 207-9 (2003)


Article DOI: 10.1021/jm020964w
BindingDB Entry DOI: 10.7270/Q24X574R
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli)
BDBM50122767
PNG
(5-Chloro-6-(2-nitro-imidazol-1-ylmethyl)-1H-pyrimi...)
Show SMILES [O-][N+](=O)c1nccn1Cc1[n-]c(=[OH+])[nH]c(=O)c1Cl
Show InChI InChI=1S/C8H6ClN5O4/c9-5-4(11-7(16)12-6(5)15)3-13-2-1-10-8(13)14(17)18/h1-2H,3H2,(H2,11,12,15,16)
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n/an/a 2.17E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against thymidine phosphorylase of Escherichia coli


J Med Chem 48: 392-402 (2005)


Article DOI: 10.1021/jm049494r
BindingDB Entry DOI: 10.7270/Q2445N8K
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli)
BDBM50122766
PNG
(5-Bromo-6-(2-nitro-imidazol-1-ylmethyl)-1H-pyrimid...)
Show SMILES [O-][N+](=O)c1nccn1Cc1[n-]c(=[OH+])[nH]c(=O)c1Br
Show InChI InChI=1S/C8H6BrN5O4/c9-5-4(11-7(16)12-6(5)15)3-13-2-1-10-8(13)14(17)18/h1-2H,3H2,(H2,11,12,15,16)
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n/an/a 2.44E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against thymidine phosphorylase of Escherichia coli


J Med Chem 48: 392-402 (2005)


Article DOI: 10.1021/jm049494r
BindingDB Entry DOI: 10.7270/Q2445N8K
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50122766
PNG
(5-Bromo-6-(2-nitro-imidazol-1-ylmethyl)-1H-pyrimid...)
Show SMILES [O-][N+](=O)c1nccn1Cc1[n-]c(=[OH+])[nH]c(=O)c1Br
Show InChI InChI=1S/C8H6BrN5O4/c9-5-4(11-7(16)12-6(5)15)3-13-2-1-10-8(13)14(17)18/h1-2H,3H2,(H2,11,12,15,16)
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n/an/a 2.44E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against recombinant purified E. coli Thymidine Phosphorylase


J Med Chem 46: 207-9 (2003)


Article DOI: 10.1021/jm020964w
BindingDB Entry DOI: 10.7270/Q24X574R
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50159220
PNG
(4-Amino-1-(5-chloro-2,6-dioxo-1,2,3,6-tetrahydro-p...)
Show SMILES Nc1c[n+](Cc2[nH]c(=O)[nH]c(=O)c2Cl)c[nH]1
Show InChI InChI=1S/C8H8ClN5O2/c9-6-4(12-8(16)13-7(6)15)1-14-2-5(10)11-3-14/h2-3H,1,10H2,(H2,12,13,15,16)/p+1
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n/an/a 2.60E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against human thymidine phosphorylase


J Med Chem 48: 392-402 (2005)


Article DOI: 10.1021/jm049494r
BindingDB Entry DOI: 10.7270/Q2445N8K
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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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against horse liver thymidine phosphorylase of horse liver


J Med Chem 48: 392-402 (2005)


Article DOI: 10.1021/jm049494r
BindingDB Entry DOI: 10.7270/Q2445N8K
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli)
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 4.00E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against thymidine phosphorylase of Escherichia coli


J Med Chem 48: 392-402 (2005)


Article DOI: 10.1021/jm049494r
BindingDB Entry DOI: 10.7270/Q2445N8K
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50159217
PNG
(4-Amino-1-(5-bromo-2,6-dioxo-1,2,3,6-tetrahydro-py...)
Show SMILES Nc1c[n+](Cc2[nH]c(=O)[nH]c(=O)c2Br)c[nH]1
Show InChI InChI=1S/C8H8BrN5O2/c9-6-4(12-8(16)13-7(6)15)1-14-2-5(10)11-3-14/h2-3H,1,10H2,(H2,12,13,15,16)/p+1
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n/an/a 4.10E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against human thymidine phosphorylase


J Med Chem 48: 392-402 (2005)


Article DOI: 10.1021/jm049494r
BindingDB Entry DOI: 10.7270/Q2445N8K
More data for this
Ligand-Target Pair
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