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PubMed code 20378362

Compile data set for download or QSAR
Found 20 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 kinase, cytosolic


(Homo sapiens)
BDBM50002692
PNG
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
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Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of human TK1 by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
Thymidine kinase


(Ureaplasma parvum)
BDBM50002692
PNG
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
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PubMed
n/an/a 1.25E+4n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of Ureaplasma parvum thymidine kinase by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50317617
PNG
(3'-(4-(4-Fluorophenyl)-1,2,3-triazole-1-yl)-2'-deo...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccc(F)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H18FN5O4/c1-10-7-23(18(27)20-17(10)26)16-6-14(15(9-25)28-16)24-8-13(21-22-24)11-2-4-12(19)5-3-11/h2-5,7-8,14-16,25H,6,9H2,1H3,(H,20,26,27)/t14-,15+,16+/m0/s1
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PubMed
n/an/a 4.40E+4n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of human TK1 by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50314841
PNG
(3'-(4-(2-Pyridine)-1,2,3-triazole-1-yl)-2'-deoxyth...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccccn2)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H18N6O4/c1-10-7-22(17(26)19-16(10)25)15-6-13(14(9-24)27-15)23-8-12(20-21-23)11-4-2-3-5-18-11/h2-5,7-8,13-15,24H,6,9H2,1H3,(H,19,25,26)/t13-,14+,15+/m0/s1
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n/an/a 5.30E+4n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of human TK1 by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50317618
PNG
(3'-(4-(2-Phenyl-ethyl)-1,2,3-triazole-1-yl)-2'-deo...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(CCc3ccccc3)nn2)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H23N5O4/c1-13-10-24(20(28)21-19(13)27)18-9-16(17(12-26)29-18)25-11-15(22-23-25)8-7-14-5-3-2-4-6-14/h2-6,10-11,16-18,26H,7-9,12H2,1H3,(H,21,27,28)/t16-,17+,18+/m0/s1
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n/an/a 6.00E+4n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of human TK1 by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
Thymidine kinase


(Ureaplasma parvum)
BDBM50317617
PNG
(3'-(4-(4-Fluorophenyl)-1,2,3-triazole-1-yl)-2'-deo...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccc(F)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H18FN5O4/c1-10-7-23(18(27)20-17(10)26)16-6-14(15(9-25)28-16)24-8-13(21-22-24)11-2-4-12(19)5-3-11/h2-5,7-8,14-16,25H,6,9H2,1H3,(H,20,26,27)/t14-,15+,16+/m0/s1
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n/an/a 7.10E+4n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of Ureaplasma parvum thymidine kinase by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
Thymidine kinase


(Ureaplasma parvum)
BDBM50314837
PNG
(3'-(4-Benzyl-1,2,3-triazol-1-yl)-3'-deoxy-beta-D-t...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(Cc3ccccc3)nn2)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H21N5O4/c1-12-9-23(19(27)20-18(12)26)17-8-15(16(11-25)28-17)24-10-14(21-22-24)7-13-5-3-2-4-6-13/h2-6,9-10,15-17,25H,7-8,11H2,1H3,(H,20,26,27)/t15-,16+,17+/m0/s1
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n/an/a 7.30E+4n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of Ureaplasma parvum thymidine kinase by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50314837
PNG
(3'-(4-Benzyl-1,2,3-triazol-1-yl)-3'-deoxy-beta-D-t...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(Cc3ccccc3)nn2)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H21N5O4/c1-12-9-23(19(27)20-18(12)26)17-8-15(16(11-25)28-17)24-10-14(21-22-24)7-13-5-3-2-4-6-13/h2-6,9-10,15-17,25H,7-8,11H2,1H3,(H,20,26,27)/t15-,16+,17+/m0/s1
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PubMed
n/an/a 7.80E+4n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of human TK1 by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50317619
PNG
(3'-(4-Pentyl-1,2,3-triazol-1-yl)-3'-deoxythymidine...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(CCCCl)nn2)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H20ClN5O4/c1-9-6-20(15(24)17-14(9)23)13-5-11(12(8-22)25-13)21-7-10(18-19-21)3-2-4-16/h6-7,11-13,22H,2-5,8H2,1H3,(H,17,23,24)/t11-,12+,13+/m0/s1
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n/an/a 8.60E+4n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of human TK1 by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50314836
PNG
(3'-(4-Phenyl-1,2,3-triazol-1-yl)-3'-deoxythymidine...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H19N5O4/c1-11-8-22(18(26)19-17(11)25)16-7-14(15(10-24)27-16)23-9-13(20-21-23)12-5-3-2-4-6-12/h2-6,8-9,14-16,24H,7,10H2,1H3,(H,19,25,26)/t14-,15+,16+/m0/s1
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n/an/a 9.90E+4n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of human TK1 by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50317622
PNG
(3'-(4-(3-Chloro-propyl)-1,2,3-triazol-1-yl)-3'-deo...)
Show SMILES CCCc1cn(nn1)[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H21N5O4/c1-3-4-10-7-20(18-17-10)11-5-13(24-12(11)8-21)19-6-9(2)14(22)16-15(19)23/h6-7,11-13,21H,3-5,8H2,1-2H3,(H,16,22,23)/t11-,12+,13+/m0/s1
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n/an/a 1.05E+5n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of human TK1 by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50317620
PNG
(3'-(4-tert-Butyl-1,2,3-triazol-1-yl)-3'-deoxythymi...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)C(C)(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H23N5O4/c1-9-6-20(15(24)17-14(9)23)13-5-10(11(8-22)25-13)21-7-12(18-19-21)16(2,3)4/h6-7,10-11,13,22H,5,8H2,1-4H3,(H,17,23,24)/t10-,11+,13+/m0/s1
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PubMed
n/an/a 1.14E+5n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of human TK1 by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
Thymidine kinase


(Ureaplasma parvum)
BDBM50317618
PNG
(3'-(4-(2-Phenyl-ethyl)-1,2,3-triazole-1-yl)-2'-deo...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(CCc3ccccc3)nn2)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H23N5O4/c1-13-10-24(20(28)21-19(13)27)18-9-16(17(12-26)29-18)25-11-15(22-23-25)8-7-14-5-3-2-4-6-14/h2-6,10-11,16-18,26H,7-9,12H2,1H3,(H,21,27,28)/t16-,17+,18+/m0/s1
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n/an/a 1.20E+5n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of Ureaplasma parvum thymidine kinase by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
Thymidine kinase


(Ureaplasma parvum)
BDBM50317619
PNG
(3'-(4-Pentyl-1,2,3-triazol-1-yl)-3'-deoxythymidine...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(CCCCl)nn2)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H20ClN5O4/c1-9-6-20(15(24)17-14(9)23)13-5-11(12(8-22)25-13)21-7-10(18-19-21)3-2-4-16/h6-7,11-13,22H,2-5,8H2,1H3,(H,17,23,24)/t11-,12+,13+/m0/s1
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n/an/a 1.50E+5n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of Ureaplasma parvum thymidine kinase by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
Thymidine kinase


(Ureaplasma parvum)
BDBM50317621
PNG
(3'-(4-Propyl-1,2,3-triazol-1-yl)-3'-deoxythymidine...)
Show SMILES CCCCCc1cn(nn1)[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H25N5O4/c1-3-4-5-6-12-9-22(20-19-12)13-7-15(26-14(13)10-23)21-8-11(2)16(24)18-17(21)25/h8-9,13-15,23H,3-7,10H2,1-2H3,(H,18,24,25)/t13-,14+,15+/m0/s1
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n/an/a 1.89E+5n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of Ureaplasma parvum thymidine kinase by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
Thymidine kinase


(Ureaplasma parvum)
BDBM50314836
PNG
(3'-(4-Phenyl-1,2,3-triazol-1-yl)-3'-deoxythymidine...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H19N5O4/c1-11-8-22(18(26)19-17(11)25)16-7-14(15(10-24)27-16)23-9-13(20-21-23)12-5-3-2-4-6-12/h2-6,8-9,14-16,24H,7,10H2,1H3,(H,19,25,26)/t14-,15+,16+/m0/s1
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n/an/a 2.00E+5n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of Ureaplasma parvum thymidine kinase by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
Thymidine kinase


(Ureaplasma parvum)
BDBM50317622
PNG
(3'-(4-(3-Chloro-propyl)-1,2,3-triazol-1-yl)-3'-deo...)
Show SMILES CCCc1cn(nn1)[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H21N5O4/c1-3-4-10-7-20(18-17-10)11-5-13(24-12(11)8-21)19-6-9(2)14(22)16-15(19)23/h6-7,11-13,21H,3-5,8H2,1-2H3,(H,16,22,23)/t11-,12+,13+/m0/s1
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n/an/a 2.08E+5n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of Ureaplasma parvum thymidine kinase by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
Thymidine kinase


(Ureaplasma parvum)
BDBM50314841
PNG
(3'-(4-(2-Pyridine)-1,2,3-triazole-1-yl)-2'-deoxyth...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccccn2)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H18N6O4/c1-10-7-22(17(26)19-16(10)25)15-6-13(14(9-24)27-15)23-8-12(20-21-23)11-4-2-3-5-18-11/h2-5,7-8,13-15,24H,6,9H2,1H3,(H,19,25,26)/t13-,14+,15+/m0/s1
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n/an/a 2.11E+5n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of Ureaplasma parvum thymidine kinase by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50317621
PNG
(3'-(4-Propyl-1,2,3-triazol-1-yl)-3'-deoxythymidine...)
Show SMILES CCCCCc1cn(nn1)[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H25N5O4/c1-3-4-5-6-12-9-22(20-19-12)13-7-15(26-14(13)10-23)21-8-11(2)16(24)18-17(21)25/h8-9,13-15,23H,3-7,10H2,1-2H3,(H,18,24,25)/t13-,14+,15+/m0/s1
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n/an/a 3.11E+5n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of human TK1 by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
Thymidine kinase


(Ureaplasma parvum)
BDBM50317620
PNG
(3'-(4-tert-Butyl-1,2,3-triazol-1-yl)-3'-deoxythymi...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)C(C)(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H23N5O4/c1-9-6-20(15(24)17-14(9)23)13-5-10(11(8-22)25-13)21-7-12(18-19-21)16(2,3)4/h6-7,10-11,13,22H,5,8H2,1-4H3,(H,17,23,24)/t10-,11+,13+/m0/s1
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n/an/a 3.18E+5n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of Ureaplasma parvum thymidine kinase by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%