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PubMed code 17870212

Compile data set for download or QSAR
Found 7 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))
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
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)
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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PubMed
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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PubMed
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))
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))
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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PubMed
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))
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))
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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PubMed
n/an/a 4.50E+4n/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
* indicates data uncertainty>20%