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PubMed code 12519058

Compile data set for download or QSAR
Found 8 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))
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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Article
PubMed
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))
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
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))
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 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))
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 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


(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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Article
PubMed
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


(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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PubMed
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


(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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PubMed
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


(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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PubMed
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
* indicates data uncertainty>20%