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PubMed code 19329330

Compile data set for download or QSAR
Found 13 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)
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 35n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidine phosphorylase


Bioorg Med Chem 17: 2983-8 (2009)


Article DOI: 10.1016/j.bmc.2009.03.020
BindingDB Entry DOI: 10.7270/Q2GX4FC3
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli)
BDBM50131078
PNG
(3-formylchromones | 4-Oxo-4H-chromene-3-carbaldehy...)
Show SMILES O=Cc1coc2ccccc2c1=O
Show InChI InChI=1S/C10H6O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-6H
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidine phosphorylase


Bioorg Med Chem 17: 2983-8 (2009)


Article DOI: 10.1016/j.bmc.2009.03.020
BindingDB Entry DOI: 10.7270/Q2GX4FC3
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli)
BDBM50479924
PNG
(CHEMBL489635)
Show SMILES Cc1coc2cc(O)ccc2c1=O
Show InChI InChI=1S/C10H8O3/c1-6-5-13-9-4-7(11)2-3-8(9)10(6)12/h2-5,11H,1H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidine phosphorylase


Bioorg Med Chem 17: 2983-8 (2009)


Article DOI: 10.1016/j.bmc.2009.03.020
BindingDB Entry DOI: 10.7270/Q2GX4FC3
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli)
BDBM50479927
PNG
(CHEMBL491260)
Show SMILES COc1cc(ccc1C)\N=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C18H15NO3/c1-12-7-8-14(9-17(12)21-2)19-10-13-11-22-16-6-4-3-5-15(16)18(13)20/h3-11H,1-2H3/b19-10+
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n/an/a 1.98E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidine phosphorylase


Bioorg Med Chem 17: 2983-8 (2009)


Article DOI: 10.1016/j.bmc.2009.03.020
BindingDB Entry DOI: 10.7270/Q2GX4FC3
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 3.93E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidine phosphorylase


Bioorg Med Chem 17: 2983-8 (2009)


Article DOI: 10.1016/j.bmc.2009.03.020
BindingDB Entry DOI: 10.7270/Q2GX4FC3
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli)
BDBM50479925
PNG
(CHEMBL490045)
Show SMILES Clc1ccc(\N=C\c2coc3ccccc3c2=O)c(Cl)c1
Show InChI InChI=1S/C16H9Cl2NO2/c17-11-5-6-14(13(18)7-11)19-8-10-9-21-15-4-2-1-3-12(15)16(10)20/h1-9H/b19-8+
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n/an/a 4.03E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidine phosphorylase


Bioorg Med Chem 17: 2983-8 (2009)


Article DOI: 10.1016/j.bmc.2009.03.020
BindingDB Entry DOI: 10.7270/Q2GX4FC3
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli)
BDBM50326126
PNG
(((m-tolylimino)methyl)-4H-chromen-4-one | 3-{[(3-M...)
Show SMILES Cc1cccc(c1)\N=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C17H13NO2/c1-12-5-4-6-14(9-12)18-10-13-11-20-16-8-3-2-7-15(16)17(13)19/h2-11H,1H3/b18-10+
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n/an/a 6.73E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidine phosphorylase


Bioorg Med Chem 17: 2983-8 (2009)


Article DOI: 10.1016/j.bmc.2009.03.020
BindingDB Entry DOI: 10.7270/Q2GX4FC3
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli)
BDBM50479931
PNG
(CHEMBL490853)
Show SMILES Clc1ccc(\N=C\c2coc3ccccc3c2=O)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C23H14ClNO3/c24-17-10-11-20(19(12-17)22(26)15-6-2-1-3-7-15)25-13-16-14-28-21-9-5-4-8-18(21)23(16)27/h1-14H/b25-13+
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n/an/a 7.59E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidine phosphorylase


Bioorg Med Chem 17: 2983-8 (2009)


Article DOI: 10.1016/j.bmc.2009.03.020
BindingDB Entry DOI: 10.7270/Q2GX4FC3
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli)
BDBM50479929
PNG
(CHEMBL453992)
Show SMILES CCC(=O)N\N=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C13H12N2O3/c1-2-12(16)15-14-7-9-8-18-11-6-4-3-5-10(11)13(9)17/h3-8H,2H2,1H3,(H,15,16)/b14-7+
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n/an/a 1.46E+5n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidine phosphorylase


Bioorg Med Chem 17: 2983-8 (2009)


Article DOI: 10.1016/j.bmc.2009.03.020
BindingDB Entry DOI: 10.7270/Q2GX4FC3
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli)
BDBM50479926
PNG
(CHEMBL489045)
Show SMILES O=c1c(\C=N\CC\N=C\c2coc3ccccc3c2=O)coc2ccccc12
Show InChI InChI=1S/C22H16N2O4/c25-21-15(13-27-19-7-3-1-5-17(19)21)11-23-9-10-24-12-16-14-28-20-8-4-2-6-18(20)22(16)26/h1-8,11-14H,9-10H2/b23-11+,24-12+
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n/an/a 1.50E+5n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidine phosphorylase


Bioorg Med Chem 17: 2983-8 (2009)


Article DOI: 10.1016/j.bmc.2009.03.020
BindingDB Entry DOI: 10.7270/Q2GX4FC3
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli)
BDBM50267731
PNG
(CHEMBL457577)
Show SMILES Oc1cccnc1\N=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C15H10N2O3/c18-12-5-3-7-16-15(12)17-8-10-9-20-13-6-2-1-4-11(13)14(10)19/h1-9,18H/b17-8+
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n/an/a 3.40E+5n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidine phosphorylase


Bioorg Med Chem 17: 2983-8 (2009)


Article DOI: 10.1016/j.bmc.2009.03.020
BindingDB Entry DOI: 10.7270/Q2GX4FC3
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli)
BDBM50479928
PNG
(CHEMBL484886)
Show SMILES OCC(Cc1ccccc1)\N=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C19H17NO3/c21-12-16(10-14-6-2-1-3-7-14)20-11-15-13-23-18-9-5-4-8-17(18)19(15)22/h1-9,11,13,16,21H,10,12H2/b20-11+
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n/an/a 4.73E+5n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidine phosphorylase


Bioorg Med Chem 17: 2983-8 (2009)


Article DOI: 10.1016/j.bmc.2009.03.020
BindingDB Entry DOI: 10.7270/Q2GX4FC3
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Escherichia coli)
BDBM50479930
PNG
(CHEMBL489044)
Show SMILES Cc1cccc(c1\N=C\c1coc2ccccc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C17H12N2O4/c1-11-5-4-7-14(19(21)22)16(11)18-9-12-10-23-15-8-3-2-6-13(15)17(12)20/h2-10H,1H3/b18-9+
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n/an/a 4.80E+5n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidine phosphorylase


Bioorg Med Chem 17: 2983-8 (2009)


Article DOI: 10.1016/j.bmc.2009.03.020
BindingDB Entry DOI: 10.7270/Q2GX4FC3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%