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Compile Data Set for Download or QSAR

Found 153 hits of ic50 for UniProtKB: P04183   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118502
PNG
(5-Methyl-1-(2-trityloxymethyl-benzyl)-1H-pyrimidin...)
Show SMILES Cc1cn(Cc2ccccc2COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C32H28N2O3/c1-24-21-34(31(36)33-30(24)35)22-25-13-11-12-14-26(25)23-37-32(27-15-5-2-6-16-27,28-17-7-3-8-18-28)29-19-9-4-10-20-29/h2-21H,22-23H2,1H3,(H,33,35,36)
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n/an/a 2n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 Thymidine kinase in OST-TK-/HSV-1 TK+ cell line in combination with gancicclovir


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118502
PNG
(5-Methyl-1-(2-trityloxymethyl-benzyl)-1H-pyrimidin...)
Show SMILES Cc1cn(Cc2ccccc2COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C32H28N2O3/c1-24-21-34(31(36)33-30(24)35)22-25-13-11-12-14-26(25)23-37-32(27-15-5-2-6-16-27,28-17-7-3-8-18-28)29-19-9-4-10-20-29/h2-21H,22-23H2,1H3,(H,33,35,36)
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n/an/a 8n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 Thymidine kinase in OST-TK-/HSV-1 TK+ cell line in combination with BVAraU


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM1
PNG
(BDBM233149 | thymidine)
Show SMILES CN(C)N\N=C1\N=CN=C1C(N)=O
Show InChI InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3,11H,1-2H3,(H2,7,13)/b10-6+
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n/an/a 16n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory activity (50 uM) against HSV-1 Thymidine kinase in OST-TK-/HSV-1 TK+ cell line in combination with BVAraU


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM1
PNG
(BDBM233149 | thymidine)
Show SMILES CN(C)N\N=C1\N=CN=C1C(N)=O
Show InChI InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3,11H,1-2H3,(H2,7,13)/b10-6+
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n/an/a 26n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory activity (50 uM) against HSV-1 Thymidine kinase in OST-TK-/HSV-1 TK+ cell line in combination with gancicclovir


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118490
PNG
(1-[(Z)-4-(triphenylmethoxy)-2-butenyl]thymine | 5-...)
Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H26N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21H,19-20H2,1H3,(H,29,31,32)/b12-11-
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n/an/a 180n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 Thymidine kinase in OST-TK-/HSV-1 TK+ cell line in combination with gancicclovir


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118491
PNG
(5-Methyl-1-(4-trityloxy-but-2-enyl)-1H-pyrimidine-...)
Show SMILES Cc1cn(C\C=C\COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H26N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21H,19-20H2,1H3,(H,29,31,32)/b12-11+
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n/an/a 230n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 Thymidine kinase in OST-TK-/HSV-1 TK+ cell line in combination with gancicclovir


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118491
PNG
(5-Methyl-1-(4-trityloxy-but-2-enyl)-1H-pyrimidine-...)
Show SMILES Cc1cn(C\C=C\COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H26N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21H,19-20H2,1H3,(H,29,31,32)/b12-11+
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n/an/a 390n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory concentration against HSV-1 TK (WT) catalyzed [3H]-GCV phosphorylation


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118501
PNG
(1-(3-Hydroxy-4-trityloxy-butyl)-5-methyl-1H-pyrimi...)
Show SMILES Cc1cn(CCC(O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H28N2O4/c1-21-19-30(27(33)29-26(21)32)18-17-25(31)20-34-28(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,19,25,31H,17-18,20H2,1H3,(H,29,32,33)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory effect against phosphorylation of [methyl-3H]dThd by HSV-1 Thymidine kinase


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118490
PNG
(1-[(Z)-4-(triphenylmethoxy)-2-butenyl]thymine | 5-...)
Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H26N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21H,19-20H2,1H3,(H,29,31,32)/b12-11-
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n/an/a 1.50E+3n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by HSV-1 Thymidine Kinase


Bioorg Med Chem Lett 13: 3027-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00639-5
BindingDB Entry DOI: 10.7270/Q2T15310
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118490
PNG
(1-[(Z)-4-(triphenylmethoxy)-2-butenyl]thymine | 5-...)
Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H26N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21H,19-20H2,1H3,(H,29,31,32)/b12-11-
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n/an/a 1.50E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory effect against phosphorylation of [methyl-3H]dThd by Thymidine Kinase 2 (TK-2)


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM1
PNG
(BDBM233149 | thymidine)
Show SMILES CN(C)N\N=C1\N=CN=C1C(N)=O
Show InChI InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3,11H,1-2H3,(H2,7,13)/b10-6+
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n/an/a 1.80E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory concentration against HSV-1 TK (WT) catalyzed [3H]-GCV phosphorylation


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118490
PNG
(1-[(Z)-4-(triphenylmethoxy)-2-butenyl]thymine | 5-...)
Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H26N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21H,19-20H2,1H3,(H,29,31,32)/b12-11-
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n/an/a 2.20E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 Thymidine kinase in OST-TK-/HSV-1 TK+ cell line in combination with BVAraU


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50132253
PNG
(5-Methyl-1-[4-(trityl-amino)-but-2-enyl]-1H-pyrimi...)
Show SMILES Cc1cn(C\C=C/CNC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H27N3O2/c1-22-21-31(27(33)30-26(22)32)20-12-11-19-29-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21,29H,19-20H2,1H3,(H,30,32,33)/b12-11-
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n/an/a 2.30E+3n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2


Bioorg Med Chem Lett 13: 3027-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00639-5
BindingDB Entry DOI: 10.7270/Q2T15310
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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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, 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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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HSV-1 Thymidine kinase


Bioorg Med Chem Lett 3: 1571-1576 (1993)


Article DOI: 10.1016/S0960-894X(00)80020-7
BindingDB Entry DOI: 10.7270/Q28P60F3
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118491
PNG
(5-Methyl-1-(4-trityloxy-but-2-enyl)-1H-pyrimidine-...)
Show SMILES Cc1cn(C\C=C\COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H26N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21H,19-20H2,1H3,(H,29,31,32)/b12-11+
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n/an/a 3.00E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory effect against phosphorylation of [methyl-3H]dThd by HSV-1 Thymidine kinase


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118491
PNG
(5-Methyl-1-(4-trityloxy-but-2-enyl)-1H-pyrimidine-...)
Show SMILES Cc1cn(C\C=C\COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H26N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21H,19-20H2,1H3,(H,29,31,32)/b12-11+
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n/an/a 3.10E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 Thymidine kinase in OST-TK-/HSV-1 TK+ cell line in combination with BVAraU


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118498
PNG
(5-Methyl-1-(4-trityloxy-but-2-ynyl)-1H-pyrimidine-...)
Show SMILES Cc1cn(CC#CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H24N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-10,13-18,21H,19-20H2,1H3,(H,29,31,32)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory effect against phosphorylation of [methyl-3H]dThd by HSV-1 Thymidine kinase


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118496
PNG
(5-Methyl-1-(4-trityloxy-butyl)-1H-pyrimidine-2,4-d...)
Show SMILES Cc1cn(CCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H28N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-10,13-18,21H,11-12,19-20H2,1H3,(H,29,31,32)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory effect against phosphorylation of [methyl-3H]dThd by Thymidine Kinase 2 (TK-2)


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50132251
PNG
(1-(4-Dibenzylamino-but-2-enyl)-5-methyl-1H-pyrimid...)
Show SMILES Cc1cn(C\C=C/CN(Cc2ccccc2)Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C23H25N3O2/c1-19-16-26(23(28)24-22(19)27)15-9-8-14-25(17-20-10-4-2-5-11-20)18-21-12-6-3-7-13-21/h2-13,16H,14-15,17-18H2,1H3,(H,24,27,28)/b9-8-
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n/an/a 3.50E+3n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 1


Bioorg Med Chem Lett 13: 3027-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00639-5
BindingDB Entry DOI: 10.7270/Q2T15310
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118501
PNG
(1-(3-Hydroxy-4-trityloxy-butyl)-5-methyl-1H-pyrimi...)
Show SMILES Cc1cn(CCC(O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H28N2O4/c1-21-19-30(27(33)29-26(21)32)18-17-25(31)20-34-28(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,19,25,31H,17-18,20H2,1H3,(H,29,32,33)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory effect against phosphorylation of [methyl-3H]dThd by Thymidine Kinase 2 (TK-2)


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50132252
PNG
(2-Biphenyl-4-yl-N-[4-(5-methyl-2,4-dioxo-3,4-dihyd...)
Show SMILES Cc1cn(C\C=C/CNC(=O)Cc2ccc(cc2)-c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C23H23N3O3/c1-17-16-26(23(29)25-22(17)28)14-6-5-13-24-21(27)15-18-9-11-20(12-10-18)19-7-3-2-4-8-19/h2-12,16H,13-15H2,1H3,(H,24,27)(H,25,28,29)/b6-5-
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n/an/a 4.10E+3n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2


Bioorg Med Chem Lett 13: 3027-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00639-5
BindingDB Entry DOI: 10.7270/Q2T15310
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118506
PNG
(CHEMBL335866 | Diphenyl-acetic acid 4-(5-methyl-2,...)
Show SMILES Cc1cn(C\C=C/COC(=O)C(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C23H22N2O4/c1-17-16-25(23(28)24-21(17)26)14-8-9-15-29-22(27)20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-13,16,20H,14-15H2,1H3,(H,24,26,28)/b9-8-
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n/an/a 4.60E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory effect against phosphorylation of [methyl-3H]dThd by Thymidine Kinase 2 (TK-2)


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118503
PNG
(5-Iodo-1-(3-trityloxy-propenyl)-1H-pyrimidine-2,4-...)
Show SMILES Ic1cn(\C=C/COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C26H21IN2O3/c27-23-19-29(25(31)28-24(23)30)17-10-18-32-26(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-17,19H,18H2,(H,28,30,31)/b17-10-
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n/an/a 4.60E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory effect against phosphorylation of [methyl-3H]dThd by Thymidine Kinase 2 (TK-2)


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
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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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HSV-1 Thymidine kinase


Bioorg Med Chem Lett 3: 1571-1576 (1993)


Article DOI: 10.1016/S0960-894X(00)80020-7
BindingDB Entry DOI: 10.7270/Q28P60F3
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118489
PNG
(1-(4-Hydroxy-5-trityloxymethyl-tetrahydro-furan-2-...)
Show SMILES Cc1cn(C2CC(O)C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C29H28N2O5/c1-20-18-31(28(34)30-27(20)33)26-17-24(32)25(36-26)19-35-29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18,24-26,32H,17,19H2,1H3,(H,30,33,34)
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n/an/a 7.80E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory effect against phosphorylation of [methyl-3H]dThd by HSV-1 Thymidine kinase


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118490
PNG
(1-[(Z)-4-(triphenylmethoxy)-2-butenyl]thymine | 5-...)
Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H26N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21H,19-20H2,1H3,(H,29,31,32)/b12-11-
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n/an/a 8.70E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory concentration against HSV-1 TK (WT) catalyzed [3H]-GCV phosphorylation


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118494
PNG
(5-Methyl-1-(4-trityloxy-but-2-enyl)-dihydro-pyrimi...)
Show SMILES CC1CN(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccccc2)C(O)=NC1=O
Show InChI InChI=1S/C28H28N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,22H,19-21H2,1H3,(H,29,31,32)/b12-11-
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n/an/a 9.80E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory effect against phosphorylation of [methyl-3H]dThd by Thymidine Kinase 2 (TK-2)


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50243089
PNG
(2',3'-Dideoxy-3'-(2-aminoethyldithio)thymidine | C...)
Show SMILES Cc1cn([C@H]2C[C@H](SSCCN)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H19N3O4S2/c1-7-5-15(12(18)14-11(7)17)10-4-9(8(6-16)19-10)21-20-3-2-13/h5,8-10,16H,2-4,6,13H2,1H3,(H,14,17,18)/t8-,9+,10-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Université de Grenoble/CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant TK1 (unknown origin)-mediated phosphorylation of [CH3-3H]deoxythymidine


Bioorg Med Chem 16: 6824-31 (2008)


Article DOI: 10.1016/j.bmc.2008.05.065
BindingDB Entry DOI: 10.7270/Q26H4H62
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118496
PNG
(5-Methyl-1-(4-trityloxy-butyl)-1H-pyrimidine-2,4-d...)
Show SMILES Cc1cn(CCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H28N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-10,13-18,21H,11-12,19-20H2,1H3,(H,29,31,32)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory effect against phosphorylation of [methyl-3H]dThd by HSV-1 Thymidine kinase


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
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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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HSV-1 Thymidine kinase


Bioorg Med Chem Lett 3: 1571-1576 (1993)


Article DOI: 10.1016/S0960-894X(00)80020-7
BindingDB Entry DOI: 10.7270/Q28P60F3
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118497
PNG
(CHEMBL134449 | Heptanoic acid 3-(5-methyl-2,4-diox...)
Show SMILES CCCCCCC(=O)O\C=C/Cn1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H22N2O4/c1-3-4-5-6-8-13(18)21-10-7-9-17-11-12(2)14(19)16-15(17)20/h7,10-11H,3-6,8-9H2,1-2H3,(H,16,19,20)/b10-7-
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n/an/a 1.10E+4n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory effect against phosphorylation of [methyl-3H]dThd by Thymidine Kinase 2 (TK-2)


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50242978
PNG
(2',3'-Dideoxy-3'-(trichloromethyldithio)thymidine ...)
Show SMILES Cc1cn([C@H]2C[C@H](SSC(Cl)(Cl)Cl)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H13Cl3N2O4S2/c1-5-3-16(10(19)15-9(5)18)8-2-7(6(4-17)20-8)21-22-11(12,13)14/h3,6-8,17H,2,4H2,1H3,(H,15,18,19)/t6-,7+,8-/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Université de Grenoble/CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant TK1 (unknown origin)-mediated phosphorylation of [CH3-3H]deoxythymidine


Bioorg Med Chem 16: 6824-31 (2008)


Article DOI: 10.1016/j.bmc.2008.05.065
BindingDB Entry DOI: 10.7270/Q26H4H62
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118488
PNG
(1-(2,3-Dihydroxy-4-trityloxy-butyl)-5-methyl-1H-py...)
Show SMILES Cc1cn(CC(O)C(O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H28N2O5/c1-20-17-30(27(34)29-26(20)33)18-24(31)25(32)19-35-28(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-17,24-25,31-32H,18-19H2,1H3,(H,29,33,34)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory effect against phosphorylation of [methyl-3H]dThd by HSV-1 Thymidine kinase


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118499
PNG
(1-{5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]...)
Show SMILES COc1ccc(cc1)C(OCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccc(OC)cc1
Show InChI InChI=1S/C31H32N2O7/c1-20-18-33(30(36)32-29(20)35)28-17-26(34)27(40-28)19-39-31(21-7-5-4-6-8-21,22-9-13-24(37-2)14-10-22)23-11-15-25(38-3)16-12-23/h4-16,18,26-28,34H,17,19H2,1-3H3,(H,32,35,36)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory effect against phosphorylation of [methyl-3H]dThd by HSV-1 Thymidine kinase


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118488
PNG
(1-(2,3-Dihydroxy-4-trityloxy-butyl)-5-methyl-1H-py...)
Show SMILES Cc1cn(CC(O)C(O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H28N2O5/c1-20-17-30(27(34)29-26(20)33)18-24(31)25(32)19-35-28(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-17,24-25,31-32H,18-19H2,1H3,(H,29,33,34)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory effect against phosphorylation of [methyl-3H]dThd by Thymidine Kinase 2 (TK-2)


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50242983
PNG
(2',3'-Dideoxy-3'-(2-hydroxyethyldithio)thymidine |...)
Show SMILES Cc1cn([C@H]2C[C@H](SSCCO)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H18N2O5S2/c1-7-5-14(12(18)13-11(7)17)10-4-9(8(6-16)19-10)21-20-3-2-15/h5,8-10,15-16H,2-4,6H2,1H3,(H,13,17,18)/t8-,9+,10-/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Université de Grenoble/CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant TK1 (unknown origin)-mediated phosphorylation of [CH3-3H]deoxythymidine


Bioorg Med Chem 16: 6824-31 (2008)


Article DOI: 10.1016/j.bmc.2008.05.065
BindingDB Entry DOI: 10.7270/Q26H4H62
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118495
PNG
(5-Methyl-1-pentadec-2-enyl-1H-pyrimidine-2,4-dione...)
Show SMILES CCCCCCCCCCCC\C=C/Cn1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H34N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-17-18(2)19(23)21-20(22)24/h14-15,17H,3-13,16H2,1-2H3,(H,21,23,24)/b15-14-
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n/an/a 1.90E+4n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory effect against phosphorylation of [methyl-3H]dThd by Thymidine Kinase 2 (TK-2)


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118507
PNG
(5-Ethyl-1-(3-trityloxy-propenyl)-1H-pyrimidine-2,4...)
Show SMILES CCc1cn(\C=C/COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H26N2O3/c1-2-22-21-30(27(32)29-26(22)31)19-12-20-33-28(23-13-6-3-7-14-23,24-15-8-4-9-16-24)25-17-10-5-11-18-25/h3-19,21H,2,20H2,1H3,(H,29,31,32)/b19-12-
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n/an/a 2.00E+4n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory effect against phosphorylation of [methyl-3H]dThd by Thymidine Kinase 2 (TK-2)


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118504
PNG
(1-(4-Benzyloxy-but-2-enyl)-5-methyl-1H-pyrimidine-...)
Show SMILES Cc1cn(C\C=C/COCc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H18N2O3/c1-13-11-18(16(20)17-15(13)19)9-5-6-10-21-12-14-7-3-2-4-8-14/h2-8,11H,9-10,12H2,1H3,(H,17,19,20)/b6-5-
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n/an/a 2.20E+4n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory effect against phosphorylation of [methyl-3H]dThd by Thymidine Kinase 2 (TK-2)


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50132249
PNG
(2-(4-Chloro-phenyl)-N-[4-(5-methyl-2,4-dioxo-3,4-d...)
Show SMILES Cc1cn(C\C=C/CNC(=O)Cc2ccc(Cl)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H18ClN3O3/c1-12-11-21(17(24)20-16(12)23)9-3-2-8-19-15(22)10-13-4-6-14(18)7-5-13/h2-7,11H,8-10H2,1H3,(H,19,22)(H,20,23,24)/b3-2-
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n/an/a 2.30E+4n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2


Bioorg Med Chem Lett 13: 3027-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00639-5
BindingDB Entry DOI: 10.7270/Q2T15310
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118491
PNG
(5-Methyl-1-(4-trityloxy-but-2-enyl)-1H-pyrimidine-...)
Show SMILES Cc1cn(C\C=C\COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H26N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21H,19-20H2,1H3,(H,29,31,32)/b12-11+
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n/an/a 2.50E+4n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory effect against phosphorylation of [methyl-3H]dThd by Thymidine Kinase 2 (TK-2)


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
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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n/an/a 2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HSV-1 Thymidine kinase


Bioorg Med Chem Lett 3: 1571-1576 (1993)


Article DOI: 10.1016/S0960-894X(00)80020-7
BindingDB Entry DOI: 10.7270/Q28P60F3
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50132253
PNG
(5-Methyl-1-[4-(trityl-amino)-but-2-enyl]-1H-pyrimi...)
Show SMILES Cc1cn(C\C=C/CNC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H27N3O2/c1-22-21-31(27(33)30-26(22)32)20-12-11-19-29-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21,29H,19-20H2,1H3,(H,30,32,33)/b12-11-
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n/an/a 2.60E+4n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by HSV-1 Thymidine Kinase


Bioorg Med Chem Lett 13: 3027-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00639-5
BindingDB Entry DOI: 10.7270/Q2T15310
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50132256
PNG
(CHEMBL102986 | N-[4-(5-Methyl-2,4-dioxo-3,4-dihydr...)
Show SMILES Cc1cn(C\C=C/CNC(=O)C(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C23H23N3O3/c1-17-16-26(23(29)25-21(17)27)15-9-8-14-24-22(28)20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-13,16,20H,14-15H2,1H3,(H,24,28)(H,25,27,29)/b9-8-
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n/an/a 2.70E+4n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2


Bioorg Med Chem Lett 13: 3027-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00639-5
BindingDB Entry DOI: 10.7270/Q2T15310
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118493
PNG
(3,3-Dimethyl-butyric acid 3-(5-methyl-2,4-dioxo-3,...)
Show SMILES Cc1cn(C\C=C/OC(=O)CC(C)(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H20N2O4/c1-10-9-16(13(19)15-12(10)18)6-5-7-20-11(17)8-14(2,3)4/h5,7,9H,6,8H2,1-4H3,(H,15,18,19)/b7-5-
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n/an/a 2.80E+4n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory effect against phosphorylation of [methyl-3H]dThd by Thymidine Kinase 2 (TK-2)


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50132255
PNG
(CHEMBL431234 | N-[4-(5-Methyl-2,4-dioxo-3,4-dihydr...)
Show SMILES Cc1cn(C\C=C/CNC(=O)c2cccc(c2)C(F)(F)F)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H16F3N3O3/c1-11-10-23(16(26)22-14(11)24)8-3-2-7-21-15(25)12-5-4-6-13(9-12)17(18,19)20/h2-6,9-10H,7-8H2,1H3,(H,21,25)(H,22,24,26)/b3-2-
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n/an/a 2.80E+4n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2


Bioorg Med Chem Lett 13: 3027-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00639-5
BindingDB Entry DOI: 10.7270/Q2T15310
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118505
PNG
(Benzoic acid 4-(5-methyl-2,4-dioxo-3,4-dihydro-2H-...)
Show SMILES Cc1cn(C\C=C/COC(=O)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H16N2O4/c1-12-11-18(16(21)17-14(12)19)9-5-6-10-22-15(20)13-7-3-2-4-8-13/h2-8,11H,9-10H2,1H3,(H,17,19,21)/b6-5-
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n/an/a 3.00E+4n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory effect against phosphorylation of [methyl-3H]dThd by Thymidine Kinase 2 (TK-2)


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50118489
PNG
(1-(4-Hydroxy-5-trityloxymethyl-tetrahydro-furan-2-...)
Show SMILES Cc1cn(C2CC(O)C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C29H28N2O5/c1-20-18-31(28(34)30-27(20)33)26-17-24(32)25(36-26)19-35-29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18,24-26,32H,17,19H2,1H3,(H,30,33,34)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory effect against phosphorylation of [methyl-3H]dThd by Thymidine Kinase 2 (TK-2)


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50132250
PNG
(9H-Xanthene-9-carboxylic acid [4-(5-methyl-2,4-dio...)
Show SMILES Cc1cn(C\C=C/CNC(=O)C2c3ccccc3Oc3ccccc23)c(=O)[nH]c1=O
Show InChI InChI=1S/C23H21N3O4/c1-15-14-26(23(29)25-21(15)27)13-7-6-12-24-22(28)20-16-8-2-4-10-18(16)30-19-11-5-3-9-17(19)20/h2-11,14,20H,12-13H2,1H3,(H,24,28)(H,25,27,29)/b7-6-
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n/an/a 3.30E+4n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2


Bioorg Med Chem Lett 13: 3027-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00639-5
BindingDB Entry DOI: 10.7270/Q2T15310
More data for this
Ligand-Target Pair
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