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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'Thymidine phosphorylase' and Ligand = 'BDBM50122770'   
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


(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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Article
PubMed
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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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))
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 35n/an/an/an/an/an/a



Universidade Federal do Pampa

Curated by ChEMBL


Assay Description
Inhibition of thymidine phosphorylase (unknown origin)


J Med Chem 62: 1231-1245 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01305
BindingDB Entry DOI: 10.7270/Q2FT8QHC
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))
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)
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
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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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))
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 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


(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 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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Article
PubMed
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))
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 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


(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 3.00E+4n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of thymidine phosphorylase (unknown origin)


Eur J Med Chem 70: 400-10 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.022
BindingDB Entry DOI: 10.7270/Q2CZ38NN
More data for this
Ligand-Target Pair