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Compile Data Set for Download or QSAR

Found 210 hits Enz. Inhib. hit(s) with Target = 'Thymidine kinase, cytosolic' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
BDBM21866
PNG
(2-phenylamino-9-(4-hydroxybutyl)-6-oxopurine | 9-(...)
Show SMILES OCCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C15H17N5O2/c21-9-5-4-8-20-10-16-12-13(20)18-15(19-14(12)22)17-11-6-2-1-3-7-11/h1-3,6-7,10,21H,4-5,8-9H2,(H2,17,18,19,22)
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50n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards HSV-1 thymidine kinase was determined


J Med Chem 38: 49-57 (1995)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50367489
PNG
(CHEMBL1269499)
Show SMILES CCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H15FN2O5/c1-2-5-3-14(11(18)13-9(5)17)10-7(12)8(16)6(4-15)19-10/h3,6-8,10,15-16H,2,4H2,1H3,(H,13,17,18)/t6-,7+,8-,10-/m1/s1
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90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for Kinetic constant for viral thymidine kinase of Herpes simplex virus (HSV) -1


J Med Chem 30: 867-71 (1987)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50370388
PNG
(5IUDR | Allergan 211 | Allergan-211 | Dendrid | He...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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90n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity constant against HSV-1 thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50366681
PNG
(BRIVUDINE | BVDU | Bridic | Brivox | Brivudin | Br...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C=CBr)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/t7-,8+,9+/m0/s1
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100n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity constant against HSV-1 thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50367488
PNG
(FIALURIDINE)
Show SMILES OC[C@H]1O[C@H]([C@@H](F)[C@@H]1O)n1cc(I)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8-/m1/s1
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140n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for Kinetic constant for viral thymidine kinase of Herpes simplex virus (HSV) -1


J Med Chem 30: 867-71 (1987)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50367487
PNG
(CHEMBL475717)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9-/m1/s1
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180n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for Kinetic constant for viral thymidine kinase of Herpes simplex virus (HSV) -1


J Med Chem 30: 867-71 (1987)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM1
PNG
(thymidine)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
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200n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity constant against HSV-1 thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50422566
PNG
(CHEMBL2311131)
Show SMILES OC[C@H]1C[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H13IN2O4/c11-7-3-13(10(17)12-9(7)16)6-1-5(4-14)8(15)2-6/h3,5-6,8,14-15H,1-2,4H2,(H,12,16,17)/t5-,6-,8+/m1/s1
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210n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity constant against HSV-1 thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50135089
PNG
(C-BVdU | CHEMBL341644)
Show SMILES OC[C@@H]1C[C@@H](C[C@H]1O)n1cc(C=CBr)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H15BrN2O4/c13-2-1-7-5-15(12(19)14-11(7)18)9-3-8(6-16)10(17)4-9/h1-2,5,8-10,16-17H,3-4,6H2,(H,14,18,19)/t8-,9-,10+/m0/s1
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220n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity constant against HSV-1 thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50367489
PNG
(CHEMBL1269499)
Show SMILES CCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H15FN2O5/c1-2-5-3-14(11(18)13-9(5)17)10-7(12)8(16)6(4-15)19-10/h3,6-8,10,15-16H,2,4H2,1H3,(H,13,17,18)/t6-,7+,8-,10-/m1/s1
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440n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for Kinetic constant for viral thymidine kinase of Herpes simplex virus (HSV) -2


J Med Chem 30: 867-71 (1987)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50367488
PNG
(FIALURIDINE)
Show SMILES OC[C@H]1O[C@H]([C@@H](F)[C@@H]1O)n1cc(I)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8-/m1/s1
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950n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for Kinetic constant for viral thymidine kinase of Herpes simplex virus (HSV) -2


J Med Chem 30: 867-71 (1987)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50367487
PNG
(CHEMBL475717)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9-/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for Kinetic constant for viral thymidine kinase of Herpes simplex virus (HSV) -2


J Med Chem 30: 867-71 (1987)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM1
PNG
(thymidine)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Istituto di Genetica Biochimica ed Evoluzionistica

Curated by ChEMBL


Assay Description
Inhibition of HSV-1 thymidine kinase


J Med Chem 35: 4214-20 (1992)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50282061
PNG
(1-((2R,4S,5R)-5-Ethynyl-4-hydroxy-tetrahydro-furan...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@H](O2)C#C)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H12N2O4/c1-3-8-7(14)4-9(17-8)13-5-6(2)10(15)12-11(13)16/h1,5,7-9,14H,4H2,2H3,(H,12,15,16)/t7-,8+,9+/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against HSV-1 Thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50027352
PNG
(1-(4,5-Dihydroxy-tetrahydro-furan-2-yl)-5-methylsu...)
Show SMILES CSc1cnc(=O)n(c1)C1CC(O)C(O)O1
Show InChI InChI=1S/C9H12N2O4S/c1-16-5-3-10-9(14)11(4-5)7-2-6(12)8(13)15-7/h3-4,6-8,12-13H,2H2,1H3
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2.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity to thymidine kinase from HSV-1 infected HeLa Bu


J Med Chem 24: 109-12 (1981)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM21868
PNG
(2-amino-9-(4-hydroxybutyl)-6,9-dihydro-3H-purin-6-...)
Show SMILES Nc1nc2n(CCCCO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C9H13N5O2/c10-9-12-7-6(8(16)13-9)11-5-14(7)3-1-2-4-15/h5,15H,1-4H2,(H3,10,12,13,16)
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2.06E+3n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards HSV-1 thymidine kinase was determined


J Med Chem 38: 49-57 (1995)

More data for this
Ligand-Target Pair
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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2.90E+3n/an/an/an/an/an/an/an/a



Michigan Cancer Foundation

Curated by ChEMBL


Assay Description
Inhibitory affect against rabbit thymus thymidine kinase and represented as molt/4F kinase.


J Med Chem 33: 258-63 (1990)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50282067
PNG
(1-((2R,4S,5S)-4-Hydroxy-5-methoxy-tetrahydro-furan...)
Show SMILES CO[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N2O5/c1-5-4-12(10(15)11-8(5)14)7-3-6(13)9(16-2)17-7/h4,6-7,9,13H,3H2,1-2H3,(H,11,14,15)/t6-,7+,9-/m0/s1
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2.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against HSV-1 Thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50027352
PNG
(1-(4,5-Dihydroxy-tetrahydro-furan-2-yl)-5-methylsu...)
Show SMILES CSc1cnc(=O)n(c1)C1CC(O)C(O)O1
Show InChI InChI=1S/C9H12N2O4S/c1-16-5-3-10-9(14)11(4-5)7-2-6(12)8(13)15-7/h3-4,6-8,12-13H,2H2,1H3
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4.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity to thymidine kinase from Varicella zoster virus infected human cells


J Med Chem 24: 109-12 (1981)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50282063
PNG
(1-[(2R,4S,5S)-4-Hydroxy-5-(3-phenyl-propoxy)-tetra...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](OCCCc3ccccc3)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H22N2O5/c1-12-11-20(18(23)19-16(12)22)15-10-14(21)17(25-15)24-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,11,14-15,17,21H,5,8-10H2,1H3,(H,19,22,23)/t14-,15+,17-/m0/s1
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4.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against HSV-1 Thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50131914
PNG
(Phosphoric acid mono-[3-aminomethyl-5-(5-methyl-2,...)
Show SMILES Cc1cn([C@H]2C[C@H](CN)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H18N3O7P/c1-6-4-14(11(16)13-10(6)15)9-2-7(3-12)8(21-9)5-20-22(17,18)19/h4,7-9H,2-3,5,12H2,1H3,(H,13,15,16)(H2,17,18,19)/p-2/t7-,8-,9-/m1/s1
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4.70E+3n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
In Vitro inhibition of Thymidine Monophosphatase Kinase (TMPKh)


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50207303
PNG
(5-BROMO-2'-DEOXY URIDINE | 5-bromo-1-((2R,4S,5R)-4...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(Br)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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5.06E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against HSV-1(KOS) thymidine kinase


J Med Chem 28: 904-10 (1985)

More data for this
Ligand-Target Pair
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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7.00E+3n/an/an/an/an/an/an/an/a



Michigan Cancer Foundation

Curated by ChEMBL


Assay Description
Inhibitory affect against rabbit thymus thymidine kinase


J Med Chem 33: 258-63 (1990)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50367921
PNG
(CHEMBL1790740)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=S
Show InChI InChI=1S/C10H14N2O4S/c1-5-3-12(10(15)11-9(5)17)8-2-6(14)7(4-13)16-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,17)/t6-,7+,8+/m0/s1
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1.20E+4n/an/an/an/an/an/an/an/a



Michigan Cancer Foundation

Curated by ChEMBL


Assay Description
Iinhibitory affect against rabbit thymus thymidine kinase


J Med Chem 33: 258-63 (1990)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50135091
PNG
(1-((1R,3S,4S,6S)-4-Hydroxy-5-hydroxymethyl-bicyclo...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@]3(CO)C[C@H]23)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)8-2-9(16)12(5-15)3-7(8)12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8+,9+,12+/m1/s1
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1.61E+4n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity constant against HSV-1 thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50375778
PNG
(CHEMBL221982)
Show SMILES CCCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H18N2O5/c1-2-3-7-5-14(12(18)13-11(7)17)10-4-8(16)9(6-15)19-10/h5,8-10,15-16H,2-4,6H2,1H3,(H,13,17,18)/t8-,9+,10+/m0/s1
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2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50021777
PNG
(2-Amino-9-(4-hydroxy-3-hydroxymethyl-but-2-enyl)-1...)
Show SMILES Nc1nc2n(CC=C(CO)CO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C10H13N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h1,5,16-17H,2-4H2,(H3,11,13,14,18)
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2.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity was determined against Herpes simplex virus (HSV) -1 thymidine kinase in vero cell monolayer culture


J Med Chem 30: 943-7 (1987)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50207303
PNG
(5-BROMO-2'-DEOXY URIDINE | 5-bromo-1-((2R,4S,5R)-4...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(Br)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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2.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against HSV-2(333) enzyme thymidine kinase


J Med Chem 28: 904-10 (1985)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50282072
PNG
(1-((2R,4S,5S)-4-Hydroxy-5-phenethyloxy-tetrahydro-...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](OCCc3ccccc3)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H20N2O5/c1-11-10-19(17(22)18-15(11)21)14-9-13(20)16(24-14)23-8-7-12-5-3-2-4-6-12/h2-6,10,13-14,16,20H,7-9H2,1H3,(H,18,21,22)/t13-,14+,16-/m0/s1
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2.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against HSV-1 Thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50131916
PNG
(Phosphoric acid mono-[3-azidomethyl-5-(5-methyl-2,...)
Show SMILES Cc1cn([C@H]2C[C@H](CN=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N5O7P/c1-6-4-16(11(18)14-10(6)17)9-2-7(3-13-15-12)8(23-9)5-22-24(19,20)21/h4,7-9H,2-3,5H2,1H3,(H,14,17,18)(H2,19,20,21)/p-2/t7-,8-,9-/m1/s1
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3.20E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
In Vitro inhibition of Thymidine Monophosphatase Kinase (TMPKh)


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50131912
PNG
(Phosphoric acid mono-[3-fluoromethyl-5-(5-methyl-2...)
Show SMILES Cc1cn([C@H]2C[C@H](CF)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16FN2O7P/c1-6-4-14(11(16)13-10(6)15)9-2-7(3-12)8(21-9)5-20-22(17,18)19/h4,7-9H,2-3,5H2,1H3,(H,13,15,16)(H2,17,18,19)/p-2/t7-,8-,9-/m1/s1
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4.00E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
In Vitro inhibition of Thymidine Monophosphatase Kinase (TMPKh)


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50131910
PNG
(Phosphoric acid mono-[3-hydroxymethyl-5-(5-methyl-...)
Show SMILES Cc1cn([C@H]2C[C@H](CO)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H17N2O8P/c1-6-3-13(11(16)12-10(6)15)9-2-7(4-14)8(21-9)5-20-22(17,18)19/h3,7-9,14H,2,4-5H2,1H3,(H,12,15,16)(H2,17,18,19)/p-2/t7-,8-,9-/m1/s1
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4.35E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
In Vitro inhibition of Thymidine Monophosphatase Kinase (TMPKh)


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50021776
PNG
(2-Amino-9-(2-hydroxy-ethoxymethyl)-5,9-dihydro-pur...)
Show SMILES Nc1nc2n(COCCO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
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4.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for Kinetic constant for viral thymidine kinase of Herpes simplex virus (HSV) -1


J Med Chem 30: 867-71 (1987)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50367920
PNG
(CHEMBL1790742)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=S
Show InChI InChI=1S/C10H13N5O3S/c1-5-3-15(10(17)12-9(5)19)8-2-6(13-14-11)7(4-16)18-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,19)/t6-,7+,8+/m0/s1
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5.40E+4n/an/an/an/an/an/an/an/a



Michigan Cancer Foundation

Curated by ChEMBL


Assay Description
Inhibitory affect against rabbit thymus thymidine kinase


J Med Chem 33: 258-63 (1990)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50135086
PNG
((1S,2S,4S,5R)-5-((1E)-2-Bromovinyl)-1-[4-hydroxy-5...)
Show SMILES OC[C@@]12C[C@@H]1[C@H](C[C@@H]2O)n1cc(C=CBr)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H15BrN2O4/c14-2-1-7-5-16(12(20)15-11(7)19)9-3-10(18)13(6-17)4-8(9)13/h1-2,5,8-10,17-18H,3-4,6H2,(H,15,19,20)/t8-,9+,10+,13+/m1/s1
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6.29E+4n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity constant against HSV-1 thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50135087
PNG
((1S,2S,4S,5R)-5-Bromo-1-[4-hydroxy-5-(hydroxymethy...)
Show SMILES OC[C@@]12C[C@@H]1[C@H](C[C@@H]2O)n1cc(Br)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H13BrN2O4/c12-6-3-14(10(18)13-9(6)17)7-1-8(16)11(4-15)2-5(7)11/h3,5,7-8,15-16H,1-2,4H2,(H,13,17,18)/t5-,7+,8+,11+/m1/s1
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6.98E+4n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity constant against HSV-1 thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50135088
PNG
((1S,2S,4S,5R)-1-[4-Hydroxy-5-(hydroxymethyl)bicycl...)
Show SMILES OC[C@@]12C[C@@H]1[C@H](C[C@@H]2O)n1cc(I)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H13IN2O4/c12-6-3-14(10(18)13-9(6)17)7-1-8(16)11(4-15)2-5(7)11/h3,5,7-8,15-16H,1-2,4H2,(H,13,17,18)/t5-,7+,8+,11+/m1/s1
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8.58E+4n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity constant against HSV-1 thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50131911
PNG
(1-(4-Aminomethyl-3-hydroxy-5-hydroxymethyl-tetrahy...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](CN)[C@H]2O)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H17N3O5/c1-5-3-14(11(18)13-9(5)17)10-8(16)6(2-12)7(4-15)19-10/h3,6-8,10,15-16H,2,4,12H2,1H3,(H,13,17,18)/t6-,7-,8-,10-/m1/s1
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1.10E+5n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
In Vitro inhibition of Thymidine Monophosphatase Kinase (TMPKh)


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50027352
PNG
(1-(4,5-Dihydroxy-tetrahydro-furan-2-yl)-5-methylsu...)
Show SMILES CSc1cnc(=O)n(c1)C1CC(O)C(O)O1
Show InChI InChI=1S/C9H12N2O4S/c1-16-5-3-10-9(14)11(4-5)7-2-6(12)8(13)15-7/h3-4,6-8,12-13H,2H2,1H3
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1.60E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity to thymidine kinase from HeLa mitochondria


J Med Chem 24: 109-12 (1981)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50021776
PNG
(2-Amino-9-(2-hydroxy-ethoxymethyl)-5,9-dihydro-pur...)
Show SMILES Nc1nc2n(COCCO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
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1.80E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for Kinetic constant for viral thymidine kinase of Herpes simplex virus (HSV) -2


J Med Chem 30: 867-71 (1987)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50131909
PNG
(1-((2R,4R,5S)-4-aminomethyl-5-hydroxymethyl-tetrah...)
Show SMILES Cc1cn([C@H]2C[C@H](CN)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H17N3O4/c1-6-4-14(11(17)13-10(6)16)9-2-7(3-12)8(5-15)18-9/h4,7-9,15H,2-3,5,12H2,1H3,(H,13,16,17)/t7-,8-,9-/m1/s1
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2.20E+5n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
In Vitro inhibition of Thymidine Monophosphatase Kinase (TMPKh)


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50131907
PNG
(Phosphoric acid mono-[3-aminomethyl-4-hydroxy-5-(5...)
Show SMILES Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](CN)[C@H]2O)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H18N3O8P/c1-5-3-14(11(17)13-9(5)16)10-8(15)6(2-12)7(22-10)4-21-23(18,19)20/h3,6-8,10,15H,2,4,12H2,1H3,(H,13,16,17)(H2,18,19,20)/p-2/t6-,7-,8-,10-/m1/s1
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2.80E+5n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
In Vitro inhibition of Thymidine Monophosphatase Kinase (TMPKh)


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50027352
PNG
(1-(4,5-Dihydroxy-tetrahydro-furan-2-yl)-5-methylsu...)
Show SMILES CSc1cnc(=O)n(c1)C1CC(O)C(O)O1
Show InChI InChI=1S/C9H12N2O4S/c1-16-5-3-10-9(14)11(4-5)7-2-6(12)8(13)15-7/h3-4,6-8,12-13H,2H2,1H3
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>4.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity to thymidine kinase from HeLa cytosol


J Med Chem 24: 109-12 (1981)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50131913
PNG
(1-(4,5-Bis-hydroxymethyl-tetrahydro-furan-2-yl)-5-...)
Show SMILES Cc1cn([C@H]2C[C@H](CO)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N2O5/c1-6-3-13(11(17)12-10(6)16)9-2-7(4-14)8(5-15)18-9/h3,7-9,14-15H,2,4-5H2,1H3,(H,12,16,17)/t7-,8-,9-/m1/s1
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4.20E+5n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
In Vitro inhibition of Thymidine Monophosphatase Kinase (TMPKh)


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50013114
PNG
(Benzoic acid 5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-...)
Show SMILES Cc1cn([C@H]2CC[C@@H](COC(=O)c3ccccc3)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H18N2O5/c1-11-9-19(17(22)18-15(11)20)14-8-7-13(24-14)10-23-16(21)12-5-3-2-4-6-12/h2-6,9,13-14H,7-8,10H2,1H3,(H,18,20,22)/t13-,14+/m0/s1
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4.25E+5n/an/an/an/an/an/an/an/a



Michigan Cancer Foundation

Curated by ChEMBL


Assay Description
Inhibitory affect against rabbit thymus thymidine kinase


J Med Chem 33: 258-63 (1990)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50013115
PNG
(1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...)
Show SMILES OC[C@H]1O[C@H](C=C1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C9H10N2O4/c12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14/h1-4,6,8,12H,5H2,(H,10,13,14)/t6-,8+/m0/s1
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4.45E+5n/an/an/an/an/an/an/an/a



Michigan Cancer Foundation

Curated by ChEMBL


Assay Description
Inhibitory affect against rabbit thymus thymidine kinase


J Med Chem 33: 258-63 (1990)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50013111
PNG
(1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
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5.80E+5n/an/an/an/an/an/an/an/a



Michigan Cancer Foundation

Curated by ChEMBL


Assay Description
Inhibitory affect against rabbit thymus thymidine kinase and represented as molt/4F kinase.


J Med Chem 33: 258-63 (1990)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50013114
PNG
(Benzoic acid 5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-...)
Show SMILES Cc1cn([C@H]2CC[C@@H](COC(=O)c3ccccc3)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H18N2O5/c1-11-9-19(17(22)18-15(11)20)14-8-7-13(24-14)10-23-16(21)12-5-3-2-4-6-12/h2-6,9,13-14H,7-8,10H2,1H3,(H,18,20,22)/t13-,14+/m0/s1
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5.80E+5n/an/an/an/an/an/an/an/a



Michigan Cancer Foundation

Curated by ChEMBL


Assay Description
Inhibitory affect against rabbit thymus thymidine kinase and represented as molt/4F kinase in two references.


J Med Chem 33: 258-63 (1990)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50013111
PNG
(1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
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6.15E+5n/an/an/an/an/an/an/an/a



Michigan Cancer Foundation

Curated by ChEMBL


Assay Description
Inhibitory affect against rabbit thymus thymidine kinase


J Med Chem 33: 258-63 (1990)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50131915
PNG
(1-(4-Fluoromethyl-5-hydroxymethyl-tetrahydro-furan...)
Show SMILES Cc1cn([C@H]2C[C@H](CF)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H15FN2O4/c1-6-4-14(11(17)13-10(6)16)9-2-7(3-12)8(5-15)18-9/h4,7-9,15H,2-3,5H2,1H3,(H,13,16,17)/t7-,8-,9-/m1/s1
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9.70E+5n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
In Vitro inhibition of Thymidine Monophosphatase Kinase (TMPKh)


Citation and Details
More data for this
Ligand-Target Pair
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