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PubMed code 17181158

Compile data set for download or QSAR
Found 52 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 2, mitochondrial


(Homo sapiens (Human))
BDBM50200995
PNG
(1-[6-[1,1-(diphenyl)-1-(4-pyridyl)methoxy]hexyl]th...)
Show SMILES Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2ccncc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C29H31N3O3/c1-23-22-32(28(34)31-27(23)33)20-10-2-3-11-21-35-29(24-12-6-4-7-13-24,25-14-8-5-9-15-25)26-16-18-30-19-17-26/h4-9,12-19,22H,2-3,10-11,20-21H2,1H3,(H,31,33,34)
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290n/an/an/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of TK2


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))
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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500n/an/an/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of TK2


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))
BDBM50201000
PNG
(4-[1,1-(diphenyl)-1-[(6-thymin-1-yl)hexyloxy]methy...)
Show SMILES CNC(=O)c1ccc(cc1)C(OCCCCCCn1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H35N3O4/c1-24-23-35(31(38)34-29(24)36)21-11-3-4-12-22-39-32(26-13-7-5-8-14-26,27-15-9-6-10-16-27)28-19-17-25(18-20-28)30(37)33-2/h5-10,13-20,23H,3-4,11-12,21-22H2,1-2H3,(H,33,37)(H,34,36,38)
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n/an/a 390n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))
BDBM50200995
PNG
(1-[6-[1,1-(diphenyl)-1-(4-pyridyl)methoxy]hexyl]th...)
Show SMILES Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2ccncc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C29H31N3O3/c1-23-22-32(28(34)31-27(23)33)20-10-2-3-11-21-35-29(24-12-6-4-7-13-24,25-14-8-5-9-15-25)26-16-18-30-19-17-26/h4-9,12-19,22H,2-3,10-11,20-21H2,1H3,(H,31,33,34)
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n/an/a 470n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))
BDBM50200990
PNG
(1-[6-(triphenylmethoxy)hexyl]thymine | CHEMBL21699...)
Show SMILES Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C30H32N2O3/c1-24-23-32(29(34)31-28(24)33)21-13-2-3-14-22-35-30(25-15-7-4-8-16-25,26-17-9-5-10-18-26)27-19-11-6-12-20-27/h4-12,15-20,23H,2-3,13-14,21-22H2,1H3,(H,31,33,34)
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n/an/a 500n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50201000
PNG
(4-[1,1-(diphenyl)-1-[(6-thymin-1-yl)hexyloxy]methy...)
Show SMILES CNC(=O)c1ccc(cc1)C(OCCCCCCn1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H35N3O4/c1-24-23-35(31(38)34-29(24)36)21-11-3-4-12-22-39-32(26-13-7-5-8-14-26,27-15-9-6-10-16-27)28-19-17-25(18-20-28)30(37)33-2/h5-10,13-20,23H,3-4,11-12,21-22H2,1-2H3,(H,33,37)(H,34,36,38)
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n/an/a 700n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by HSV1 TK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50201004
PNG
(1-[6-[1-(4-chlorophenyl)-1,1-(diphenyl)methoxy]hex...)
Show SMILES Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C30H31ClN2O3/c1-23-22-33(29(35)32-28(23)34)20-10-2-3-11-21-36-30(24-12-6-4-7-13-24,25-14-8-5-9-15-25)26-16-18-27(31)19-17-26/h4-9,12-19,22H,2-3,10-11,20-21H2,1H3,(H,32,34,35)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by HSV1 TK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))
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 (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)
BDBM50200992
PNG
(4-[1,1-(diphenyl)-1-(Z)-[4-(thymin-1-yl)but-2-enox...)
Show SMILES CNC(=O)c1ccc(cc1)C(OC\C=C/Cn1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H29N3O4/c1-22-21-33(29(36)32-27(22)34)19-9-10-20-37-30(24-11-5-3-6-12-24,25-13-7-4-8-14-25)26-17-15-23(16-18-26)28(35)31-2/h3-18,21H,19-20H2,1-2H3,(H,31,35)(H,32,34,36)/b10-9-
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n/an/a 1.60E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by Drosophila melanogaster dNK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))
BDBM50200999
PNG
(1-[(Z)-4-[1,1-(diphenyl)-1-(4-pyridyl)methoxy]-2-b...)
Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccncc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C27H25N3O3/c1-21-20-30(26(32)29-25(21)31)18-8-9-19-33-27(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24-14-16-28-17-15-24/h2-17,20H,18-19H2,1H3,(H,29,31,32)/b9-8-
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n/an/a 1.80E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))
BDBM50200992
PNG
(4-[1,1-(diphenyl)-1-(Z)-[4-(thymin-1-yl)but-2-enox...)
Show SMILES CNC(=O)c1ccc(cc1)C(OC\C=C/Cn1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H29N3O4/c1-22-21-33(29(36)32-27(22)34)19-9-10-20-37-30(24-11-5-3-6-12-24,25-13-7-4-8-14-25)26-17-15-23(16-18-26)28(35)31-2/h3-18,21H,19-20H2,1-2H3,(H,31,35)(H,32,34,36)/b10-9-
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n/an/a 1.90E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))
BDBM50201004
PNG
(1-[6-[1-(4-chlorophenyl)-1,1-(diphenyl)methoxy]hex...)
Show SMILES Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C30H31ClN2O3/c1-23-22-33(29(35)32-28(23)34)20-10-2-3-11-21-36-30(24-12-6-4-7-13-24,25-14-8-5-9-15-25)26-16-18-27(31)19-17-26/h4-9,12-19,22H,2-3,10-11,20-21H2,1H3,(H,32,34,35)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50200995
PNG
(1-[6-[1,1-(diphenyl)-1-(4-pyridyl)methoxy]hexyl]th...)
Show SMILES Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2ccncc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C29H31N3O3/c1-23-22-32(28(34)31-27(23)33)20-10-2-3-11-21-35-29(24-12-6-4-7-13-24,25-14-8-5-9-15-25)26-16-18-30-19-17-26/h4-9,12-19,22H,2-3,10-11,20-21H2,1H3,(H,31,33,34)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by HSV1 TK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))
BDBM50200998
PNG
(1-[(Z)-4-[1-(4-chlorophenyl)-1,1-(diphenyl)methoxy...)
Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H25ClN2O3/c1-21-20-31(27(33)30-26(21)32)18-8-9-19-34-28(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24-14-16-25(29)17-15-24/h2-17,20H,18-19H2,1H3,(H,30,32,33)/b9-8-
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n/an/a 2.40E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))
BDBM50201001
PNG
(1-[5-(triphenylmethoxy)pentyl]thymine | CHEMBL2169...)
Show SMILES Cc1cn(CCCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C29H30N2O3/c1-23-22-31(28(33)30-27(23)32)20-12-5-13-21-34-29(24-14-6-2-7-15-24,25-16-8-3-9-17-25)26-18-10-4-11-19-26/h2-4,6-11,14-19,22H,5,12-13,20-21H2,1H3,(H,30,32,33)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)
BDBM50200995
PNG
(1-[6-[1,1-(diphenyl)-1-(4-pyridyl)methoxy]hexyl]th...)
Show SMILES Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2ccncc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C29H31N3O3/c1-23-22-32(28(34)31-27(23)33)20-10-2-3-11-21-35-29(24-12-6-4-7-13-24,25-14-8-5-9-15-25)26-16-18-30-19-17-26/h4-9,12-19,22H,2-3,10-11,20-21H2,1H3,(H,31,33,34)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by Drosophila melanogaster dNK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50200996
PNG
(1-[2-[2-[1-(4-chlorophenyl)-1,1-(diphenyl)methoxy]...)
Show SMILES Cc1cn(CCOCCOC(c2ccccc2)(c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H27ClN2O4/c1-21-20-31(27(33)30-26(21)32)16-17-34-18-19-35-28(22-8-4-2-5-9-22,23-10-6-3-7-11-23)24-12-14-25(29)15-13-24/h2-15,20H,16-19H2,1H3,(H,30,32,33)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by HSV1 TK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)
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 3.30E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by Drosophila melanogaster dNK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)
BDBM50200999
PNG
(1-[(Z)-4-[1,1-(diphenyl)-1-(4-pyridyl)methoxy]-2-b...)
Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccncc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C27H25N3O3/c1-21-20-30(26(32)29-25(21)31)18-8-9-19-33-27(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24-14-16-28-17-15-24/h2-17,20H,18-19H2,1H3,(H,29,31,32)/b9-8-
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n/an/a 3.40E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by Drosophila melanogaster dNK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)
BDBM50201000
PNG
(4-[1,1-(diphenyl)-1-[(6-thymin-1-yl)hexyloxy]methy...)
Show SMILES CNC(=O)c1ccc(cc1)C(OCCCCCCn1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H35N3O4/c1-24-23-35(31(38)34-29(24)36)21-11-3-4-12-22-39-32(26-13-7-5-8-14-26,27-15-9-6-10-16-27)28-19-17-25(18-20-28)30(37)33-2/h5-10,13-20,23H,3-4,11-12,21-22H2,1-2H3,(H,33,37)(H,34,36,38)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by Drosophila melanogaster dNK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50200990
PNG
(1-[6-(triphenylmethoxy)hexyl]thymine | CHEMBL21699...)
Show SMILES Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C30H32N2O3/c1-24-23-32(29(34)31-28(24)33)21-13-2-3-14-22-35-30(25-15-7-4-8-16-25,26-17-9-5-10-18-26)27-19-11-6-12-20-27/h4-12,15-20,23H,2-3,13-14,21-22H2,1H3,(H,31,33,34)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by HSV1 TK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))
BDBM50200997
PNG
(1-[7-(triphenylmethoxy)heptyl]thymine | CHEMBL2193...)
Show SMILES Cc1cn(CCCCCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C31H34N2O3/c1-25-24-33(30(35)32-29(25)34)22-14-3-2-4-15-23-36-31(26-16-8-5-9-17-26,27-18-10-6-11-19-27)28-20-12-7-13-21-28/h5-13,16-21,24H,2-4,14-15,22-23H2,1H3,(H,32,34,35)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))
BDBM50200996
PNG
(1-[2-[2-[1-(4-chlorophenyl)-1,1-(diphenyl)methoxy]...)
Show SMILES Cc1cn(CCOCCOC(c2ccccc2)(c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H27ClN2O4/c1-21-20-31(27(33)30-26(21)32)16-17-34-18-19-35-28(22-8-4-2-5-9-22,23-10-6-3-7-11-23)24-12-14-25(29)15-13-24/h2-15,20H,16-19H2,1H3,(H,30,32,33)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)
BDBM50200998
PNG
(1-[(Z)-4-[1-(4-chlorophenyl)-1,1-(diphenyl)methoxy...)
Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H25ClN2O3/c1-21-20-31(27(33)30-26(21)32)18-8-9-19-34-28(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24-14-16-25(29)17-15-24/h2-17,20H,18-19H2,1H3,(H,30,32,33)/b9-8-
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n/an/a 5.70E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by Drosophila melanogaster dNK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))
BDBM50200994
PNG
(1-[2-(2-triphenylmethoxyethoxy)ethyl]thymine | CHE...)
Show SMILES Cc1cn(CCOCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H28N2O4/c1-22-21-30(27(32)29-26(22)31)17-18-33-19-20-34-28(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,21H,17-20H2,1H3,(H,29,31,32)
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n/an/a 9.70E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)
BDBM50201001
PNG
(1-[5-(triphenylmethoxy)pentyl]thymine | CHEMBL2169...)
Show SMILES Cc1cn(CCCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C29H30N2O3/c1-23-22-31(28(33)30-27(23)32)20-12-5-13-21-34-29(24-14-6-2-7-15-24,25-16-8-3-9-17-25)26-18-10-4-11-19-26/h2-4,6-11,14-19,22H,5,12-13,20-21H2,1H3,(H,30,32,33)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by Drosophila melanogaster dNK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)
BDBM50200990
PNG
(1-[6-(triphenylmethoxy)hexyl]thymine | CHEMBL21699...)
Show SMILES Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C30H32N2O3/c1-24-23-32(29(34)31-28(24)33)21-13-2-3-14-22-35-30(25-15-7-4-8-16-25,26-17-9-5-10-18-26)27-19-11-6-12-20-27/h4-12,15-20,23H,2-3,13-14,21-22H2,1H3,(H,31,33,34)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by Drosophila melanogaster dNK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50200994
PNG
(1-[2-(2-triphenylmethoxyethoxy)ethyl]thymine | CHE...)
Show SMILES Cc1cn(CCOCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H28N2O4/c1-22-21-30(27(32)29-26(22)31)17-18-33-19-20-34-28(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,21H,17-20H2,1H3,(H,29,31,32)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by HSV1 TK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50200998
PNG
(1-[(Z)-4-[1-(4-chlorophenyl)-1,1-(diphenyl)methoxy...)
Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H25ClN2O3/c1-21-20-31(27(33)30-26(21)32)18-8-9-19-34-28(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24-14-16-25(29)17-15-24/h2-17,20H,18-19H2,1H3,(H,30,32,33)/b9-8-
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n/an/a 1.80E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by HSV1 TK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50200991
PNG
(1-[2-[2-[1,1-(diphenyl)-1-(4-pyridyl)methoxy]ethox...)
Show SMILES Cc1cn(CCOCCOC(c2ccccc2)(c2ccccc2)c2ccncc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C27H27N3O4/c1-21-20-30(26(32)29-25(21)31)16-17-33-18-19-34-27(22-8-4-2-5-9-22,23-10-6-3-7-11-23)24-12-14-28-15-13-24/h2-15,20H,16-19H2,1H3,(H,29,31,32)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by HSV1 TK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)
BDBM50200993
PNG
(1-[3-(triphenylmethoxy)propyl]thymine | CHEMBL3844...)
Show SMILES Cc1cn(CCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C27H26N2O3/c1-21-20-29(26(31)28-25(21)30)18-11-19-32-27(22-12-5-2-6-13-22,23-14-7-3-8-15-23)24-16-9-4-10-17-24/h2-10,12-17,20H,11,18-19H2,1H3,(H,28,30,31)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by Drosophila melanogaster dNK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))
BDBM50200991
PNG
(1-[2-[2-[1,1-(diphenyl)-1-(4-pyridyl)methoxy]ethox...)
Show SMILES Cc1cn(CCOCCOC(c2ccccc2)(c2ccccc2)c2ccncc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C27H27N3O4/c1-21-20-30(26(32)29-25(21)31)16-17-33-18-19-34-27(22-8-4-2-5-9-22,23-10-6-3-7-11-23)24-12-14-28-15-13-24/h2-15,20H,16-19H2,1H3,(H,29,31,32)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))
BDBM50201005
PNG
(CHEMBL438603 | N-methyl-4-[1,1-(diphenyl)-1-[6-(th...)
Show SMILES Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2cc[n+](C)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C30H33N3O3/c1-24-23-33(29(35)31-28(24)34)19-11-3-4-12-22-36-30(25-13-7-5-8-14-25,26-15-9-6-10-16-26)27-17-20-32(2)21-18-27/h5-10,13-18,20-21,23H,3-4,11-12,19,22H2,1-2H3/p+1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50200999
PNG
(1-[(Z)-4-[1,1-(diphenyl)-1-(4-pyridyl)methoxy]-2-b...)
Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccncc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C27H25N3O3/c1-21-20-30(26(32)29-25(21)31)18-8-9-19-33-27(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24-14-16-28-17-15-24/h2-17,20H,18-19H2,1H3,(H,29,31,32)/b9-8-
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n/an/a 2.50E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by HSV1 TK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)
BDBM50201005
PNG
(CHEMBL438603 | N-methyl-4-[1,1-(diphenyl)-1-[6-(th...)
Show SMILES Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2cc[n+](C)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C30H33N3O3/c1-24-23-33(29(35)31-28(24)34)19-11-3-4-12-22-36-30(25-13-7-5-8-14-25,26-15-9-6-10-16-26)27-17-20-32(2)21-18-27/h5-10,13-18,20-21,23H,3-4,11-12,19,22H2,1-2H3/p+1
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n/an/a 2.90E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by Drosophila melanogaster dNK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)
BDBM50201002
PNG
(1-[8-(triphenylmethoxy)octyl]thymine | CHEMBL37424...)
Show SMILES Cc1cn(CCCCCCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C32H36N2O3/c1-26-25-34(31(36)33-30(26)35)23-15-4-2-3-5-16-24-37-32(27-17-9-6-10-18-27,28-19-11-7-12-20-28)29-21-13-8-14-22-29/h6-14,17-22,25H,2-5,15-16,23-24H2,1H3,(H,33,35,36)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by Drosophila melanogaster dNK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50201001
PNG
(1-[5-(triphenylmethoxy)pentyl]thymine | CHEMBL2169...)
Show SMILES Cc1cn(CCCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C29H30N2O3/c1-23-22-31(28(33)30-27(23)32)20-12-5-13-21-34-29(24-14-6-2-7-15-24,25-16-8-3-9-17-25)26-18-10-4-11-19-26/h2-4,6-11,14-19,22H,5,12-13,20-21H2,1H3,(H,30,32,33)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by HSV1 TK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)
BDBM50200997
PNG
(1-[7-(triphenylmethoxy)heptyl]thymine | CHEMBL2193...)
Show SMILES Cc1cn(CCCCCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C31H34N2O3/c1-25-24-33(30(35)32-29(25)34)22-14-3-2-4-15-23-36-31(26-16-8-5-9-17-26,27-18-10-6-11-19-27)28-20-12-7-13-21-28/h5-13,16-21,24H,2-4,14-15,22-23H2,1H3,(H,32,34,35)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by Drosophila melanogaster dNK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)
BDBM50200991
PNG
(1-[2-[2-[1,1-(diphenyl)-1-(4-pyridyl)methoxy]ethox...)
Show SMILES Cc1cn(CCOCCOC(c2ccccc2)(c2ccccc2)c2ccncc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C27H27N3O4/c1-21-20-30(26(32)29-25(21)31)16-17-33-18-19-34-27(22-8-4-2-5-9-22,23-10-6-3-7-11-23)24-12-14-28-15-13-24/h2-15,20H,16-19H2,1H3,(H,29,31,32)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by Drosophila melanogaster dNK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50201005
PNG
(CHEMBL438603 | N-methyl-4-[1,1-(diphenyl)-1-[6-(th...)
Show SMILES Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2cc[n+](C)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C30H33N3O3/c1-24-23-33(29(35)31-28(24)34)19-11-3-4-12-22-36-30(25-13-7-5-8-14-25,26-15-9-6-10-16-26)27-17-20-32(2)21-18-27/h5-10,13-18,20-21,23H,3-4,11-12,19,22H2,1-2H3/p+1
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n/an/a 4.10E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by HSV1 TK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50200992
PNG
(4-[1,1-(diphenyl)-1-(Z)-[4-(thymin-1-yl)but-2-enox...)
Show SMILES CNC(=O)c1ccc(cc1)C(OC\C=C/Cn1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H29N3O4/c1-22-21-33(29(36)32-27(22)34)19-9-10-20-37-30(24-11-5-3-6-12-24,25-13-7-4-8-14-25)26-17-15-23(16-18-26)28(35)31-2/h3-18,21H,19-20H2,1-2H3,(H,31,35)(H,32,34,36)/b10-9-
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n/an/a 4.20E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by HSV1 TK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))
BDBM50200993
PNG
(1-[3-(triphenylmethoxy)propyl]thymine | CHEMBL3844...)
Show SMILES Cc1cn(CCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C27H26N2O3/c1-21-20-29(26(31)28-25(21)30)18-11-19-32-27(22-12-5-2-6-13-22,23-14-7-3-8-15-23)24-16-9-4-10-17-24/h2-10,12-17,20H,11,18-19H2,1H3,(H,28,30,31)
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n/an/a 4.50E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)
BDBM50200996
PNG
(1-[2-[2-[1-(4-chlorophenyl)-1,1-(diphenyl)methoxy]...)
Show SMILES Cc1cn(CCOCCOC(c2ccccc2)(c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H27ClN2O4/c1-21-20-31(27(33)30-26(21)32)16-17-34-18-19-35-28(22-8-4-2-5-9-22,23-10-6-3-7-11-23)24-12-14-25(29)15-13-24/h2-15,20H,16-19H2,1H3,(H,30,32,33)
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n/an/a 4.50E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by Drosophila melanogaster dNK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))
BDBM50201002
PNG
(1-[8-(triphenylmethoxy)octyl]thymine | CHEMBL37424...)
Show SMILES Cc1cn(CCCCCCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C32H36N2O3/c1-26-25-34(31(36)33-30(26)35)23-15-4-2-3-5-16-24-37-32(27-17-9-6-10-18-27,28-19-11-7-12-20-28)29-21-13-8-14-22-29/h6-14,17-22,25H,2-5,15-16,23-24H2,1H3,(H,33,35,36)
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n/an/a 4.50E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
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 4.50E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by HSV1 TK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50200993
PNG
(1-[3-(triphenylmethoxy)propyl]thymine | CHEMBL3844...)
Show SMILES Cc1cn(CCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C27H26N2O3/c1-21-20-29(26(31)28-25(21)30)18-11-19-32-27(22-12-5-2-6-13-22,23-14-7-3-8-15-23)24-16-9-4-10-17-24/h2-10,12-17,20H,11,18-19H2,1H3,(H,28,30,31)
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n/an/a 4.60E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by HSV1 TK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)
BDBM50201004
PNG
(1-[6-[1-(4-chlorophenyl)-1,1-(diphenyl)methoxy]hex...)
Show SMILES Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C30H31ClN2O3/c1-23-22-33(29(35)32-28(23)34)20-10-2-3-11-21-36-30(24-12-6-4-7-13-24,25-14-8-5-9-15-25)26-16-18-27(31)19-17-26/h4-9,12-19,22H,2-3,10-11,20-21H2,1H3,(H,32,34,35)
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n/an/a 4.70E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by Drosophila melanogaster dNK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)
BDBM50200994
PNG
(1-[2-(2-triphenylmethoxyethoxy)ethyl]thymine | CHE...)
Show SMILES Cc1cn(CCOCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H28N2O4/c1-22-21-30(27(32)29-26(22)31)17-18-33-19-20-34-28(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,21H,17-20H2,1H3,(H,29,31,32)
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n/an/a 5.60E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by Drosophila melanogaster dNK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))
BDBM50201003
PNG
(CHEMBL219908 | N-methyl-4-[1,1-(diphenyl)-1-(Z)-[4...)
Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2cc[n+](C)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H27N3O3/c1-22-21-31(27(33)29-26(22)32)17-9-10-20-34-28(23-11-5-3-6-12-23,24-13-7-4-8-14-24)25-15-18-30(2)19-16-25/h3-16,18-19,21H,17,20H2,1-2H3/p+1/b10-9-
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n/an/a 1.14E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)
BDBM50201003
PNG
(CHEMBL219908 | N-methyl-4-[1,1-(diphenyl)-1-(Z)-[4...)
Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2cc[n+](C)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H27N3O3/c1-22-21-31(27(33)29-26(22)32)17-9-10-20-34-28(23-11-5-3-6-12-23,24-13-7-4-8-14-24)25-15-18-30(2)19-16-25/h3-16,18-19,21H,17,20H2,1-2H3/p+1/b10-9-
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n/an/a 1.44E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by Drosophila melanogaster dNK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50201003
PNG
(CHEMBL219908 | N-methyl-4-[1,1-(diphenyl)-1-(Z)-[4...)
Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2cc[n+](C)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H27N3O3/c1-22-21-31(27(33)29-26(22)32)17-9-10-20-34-28(23-11-5-3-6-12-23,24-13-7-4-8-14-24)25-15-18-30(2)19-16-25/h3-16,18-19,21H,17,20H2,1-2H3/p+1/b10-9-
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n/an/a>5.00E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by HSV1 TK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50201002
PNG
(1-[8-(triphenylmethoxy)octyl]thymine | CHEMBL37424...)
Show SMILES Cc1cn(CCCCCCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C32H36N2O3/c1-26-25-34(31(36)33-30(26)35)23-15-4-2-3-5-16-24-37-32(27-17-9-6-10-18-27,28-19-11-7-12-20-28)29-21-13-8-14-22-29/h6-14,17-22,25H,2-5,15-16,23-24H2,1H3,(H,33,35,36)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by HSV1 TK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%