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PubMed code 26547232

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


(Escherichia coli (Enterobacteria))
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 4.10E+4n/an/an/an/a7.0n/a



University of Karachi



Assay Description
TP inhibition assay was performed spectrophotometrically. The method of Bera et al. was followed with slight modifications. Reaction mixture of 200 µ...


Bioorg Chem 63: 142-51 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2C8282R
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli (Enterobacteria))
BDBM50019242
PNG
(2-(3',4'-Dihydroxyphenyl)quinazolin-4(3H)-...)
Show SMILES Oc1ccc(cc1O)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H10N2O3/c17-11-6-5-8(7-12(11)18)13-15-10-4-2-1-3-9(10)14(19)16-13/h1-7,17-18H,(H,15,16,19)
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Article
PubMed
n/an/a 4.29E+4n/an/an/an/a7.0n/a



University of Karachi



Assay Description
TP inhibition assay was performed spectrophotometrically. The method of Bera et al. was followed with slight modifications. Reaction mixture of 200 µ...


Bioorg Chem 63: 142-51 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2C8282R
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli (Enterobacteria))
BDBM50019277
PNG
(2-(2',5'-Dihydroxyphenyl)quinazolin-4(3H)-...)
Show SMILES Oc1ccc(O)c(c1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H10N2O3/c17-8-5-6-12(18)10(7-8)13-15-11-4-2-1-3-9(11)14(19)16-13/h1-7,17-18H,(H,15,16,19)
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n/an/a 5.95E+4n/an/an/an/a7.0n/a



University of Karachi



Assay Description
TP inhibition assay was performed spectrophotometrically. The method of Bera et al. was followed with slight modifications. Reaction mixture of 200 µ...


Bioorg Chem 63: 142-51 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2C8282R
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli (Enterobacteria))
BDBM50019170
PNG
(2-(3'-Hydroxy-4'-methoxyphenyl)quinazolin-...)
Show SMILES COc1ccc(cc1O)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C15H12N2O3/c1-20-13-7-6-9(8-12(13)18)14-16-11-5-3-2-4-10(11)15(19)17-14/h2-8,18H,1H3,(H,16,17,19)
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n/an/a 1.69E+5n/an/an/an/a7.0n/a



University of Karachi



Assay Description
TP inhibition assay was performed spectrophotometrically. The method of Bera et al. was followed with slight modifications. Reaction mixture of 200 µ...


Bioorg Chem 63: 142-51 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2C8282R
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli (Enterobacteria))
BDBM50019165
PNG
(2-(4'-Hydroxyphenyl)quinazolin-4(3H)-one (2) |...)
Show SMILES Oc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)13-15-12-4-2-1-3-11(12)14(18)16-13/h1-8,17H,(H,15,16,18)
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PubMed
n/an/a 2.34E+5n/an/an/an/a7.0n/a



University of Karachi



Assay Description
TP inhibition assay was performed spectrophotometrically. The method of Bera et al. was followed with slight modifications. Reaction mixture of 200 µ...


Bioorg Chem 63: 142-51 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2C8282R
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli (Enterobacteria))
BDBM50019203
PNG
(2-(3'-Ethoxy-4'-hydroxyphenyl)quinazolin-4...)
Show SMILES CCOc1cc(ccc1O)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O3/c1-2-21-14-9-10(7-8-13(14)19)15-17-12-6-4-3-5-11(12)16(20)18-15/h3-9,19H,2H2,1H3,(H,17,18,20)
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PubMed
n/an/a 2.56E+5n/an/an/an/a7.0n/a



University of Karachi



Assay Description
TP inhibition assay was performed spectrophotometrically. The method of Bera et al. was followed with slight modifications. Reaction mixture of 200 µ...


Bioorg Chem 63: 142-51 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2C8282R
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli (Enterobacteria))
BDBM50019168
PNG
(2-(3'-Hydroxyphenyl)quinazolin-4(3H)-one (3) |...)
Show SMILES Oc1cccc(c1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H10N2O2/c17-10-5-3-4-9(8-10)13-15-12-7-2-1-6-11(12)14(18)16-13/h1-8,17H,(H,15,16,18)
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MCE
PC cid
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Article
PubMed
n/an/a 2.95E+5n/an/an/an/a7.0n/a



University of Karachi



Assay Description
TP inhibition assay was performed spectrophotometrically. The method of Bera et al. was followed with slight modifications. Reaction mixture of 200 µ...


Bioorg Chem 63: 142-51 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2C8282R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%