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PubMed code 1323680

Compile data set for download or QSAR
Found 71 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


(Human herpesvirus 2)		BDBM50210810
PNG
(2-(3-Trifluoromethyl-phenylamino)-1,9-dihydro-puri...)
Show SMILES FC(F)(F)c1cccc(Nc2nc3nc[nH]c3c(=O)[nH]2)c1
Show InChI InChI=1S/C12H8F3N5O/c13-12(14,15)6-2-1-3-7(4-6)18-11-19-9-8(10(21)20-11)16-5-17-9/h1-5H,(H3,16,17,18,19,20,21)
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n/an/a 100n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50210810
PNG
(2-(3-Trifluoromethyl-phenylamino)-1,9-dihydro-puri...)
Show SMILES FC(F)(F)c1cccc(Nc2nc3nc[nH]c3c(=O)[nH]2)c1
Show InChI InChI=1S/C12H8F3N5O/c13-12(14,15)6-2-1-3-7(4-6)18-11-19-9-8(10(21)20-11)16-5-17-9/h1-5H,(H3,16,17,18,19,20,21)
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n/an/a 151n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50013098
PNG
(2-(3-Chloro-phenylamino)-1,9-dihydro-purin-6-one |...)
Show SMILES Clc1cccc(Nc2nc3nc[nH]c3c(=O)[nH]2)c1
Show InChI InChI=1S/C11H8ClN5O/c12-6-2-1-3-7(4-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)
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n/an/a 347n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50229853
PNG
(CHEMBL406058)
Show SMILES Oc1[nH]c(Nc2cccc(c2)C#N)nc2ncnc12
Show InChI InChI=1S/C12H8N6O/c13-5-7-2-1-3-8(4-7)16-12-17-10-9(11(19)18-12)14-6-15-10/h1-4,6H,(H3,14,15,16,17,18,19)
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n/an/a 398n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50229850
PNG
(CHEMBL406300)
Show SMILES Oc1[nH]c(Nc2cccc(Br)c2)nc2ncnc12
Show InChI InChI=1S/C11H8BrN5O/c12-6-2-1-3-7(4-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)
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n/an/a 603n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50013086
PNG
(2-(4-Bromo-phenylamino)-1,9-dihydro-purin-6-one | ...)
Show SMILES Brc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1
Show InChI InChI=1S/C11H8BrN5O/c12-6-1-3-7(4-2-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)
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n/an/a 603n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50229856
PNG
(CHEMBL102001)
Show SMILES Oc1[nH]c(Nc2cccc(CN=[N+]=[N-])c2)nc2ncnc12
Show InChI InChI=1S/C12H10N8O/c13-20-16-5-7-2-1-3-8(4-7)17-12-18-10-9(11(21)19-12)14-6-15-10/h1-4,6H,5H2,(H3,14,15,17,18,19,21)
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n/an/a 794n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50229865
PNG
(CHEMBL103645)
Show SMILES Oc1[nH]c(Nc2cccc(CBr)c2)nc2ncnc12
Show InChI InChI=1S/C12H10BrN5O/c13-5-7-2-1-3-8(4-7)16-12-17-10-9(11(19)18-12)14-6-15-10/h1-4,6H,5H2,(H3,14,15,16,17,18,19)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50013086
PNG
(2-(4-Bromo-phenylamino)-1,9-dihydro-purin-6-one | ...)
Show SMILES Brc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1
Show InChI InChI=1S/C11H8BrN5O/c12-6-1-3-7(4-2-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50229854
PNG
(CHEMBL103810)
Show SMILES Oc1[nH]c(Nc2cccc(I)c2)nc2ncnc12
Show InChI InChI=1S/C11H8IN5O/c12-6-2-1-3-7(4-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50229854
PNG
(CHEMBL103810)
Show SMILES Oc1[nH]c(Nc2cccc(I)c2)nc2ncnc12
Show InChI InChI=1S/C11H8IN5O/c12-6-2-1-3-7(4-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50229865
PNG
(CHEMBL103645)
Show SMILES Oc1[nH]c(Nc2cccc(CBr)c2)nc2ncnc12
Show InChI InChI=1S/C12H10BrN5O/c13-5-7-2-1-3-8(4-7)16-12-17-10-9(11(19)18-12)14-6-15-10/h1-4,6H,5H2,(H3,14,15,16,17,18,19)
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50013088
PNG
(2-(3,4-Dibromo-phenylamino)-1,9-dihydro-purin-6-on...)
Show SMILES Brc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1Br
Show InChI InChI=1S/C11H7Br2N5O/c12-6-2-1-5(3-7(6)13)16-11-17-9-8(10(19)18-11)14-4-15-9/h1-4H,(H3,14,15,16,17,18,19)
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n/an/a 1.29E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50229862
PNG
(CHEMBL101020)
Show SMILES Oc1[nH]c(Nc2cccc(CCl)c2)nc2ncnc12
Show InChI InChI=1S/C12H10ClN5O/c13-5-7-2-1-3-8(4-7)16-12-17-10-9(11(19)18-12)14-6-15-10/h1-4,6H,5H2,(H3,14,15,16,17,18,19)
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n/an/a 1.35E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50229862
PNG
(CHEMBL101020)
Show SMILES Oc1[nH]c(Nc2cccc(CCl)c2)nc2ncnc12
Show InChI InChI=1S/C12H10ClN5O/c13-5-7-2-1-3-8(4-7)16-12-17-10-9(11(19)18-12)14-6-15-10/h1-4,6H,5H2,(H3,14,15,16,17,18,19)
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n/an/a 1.41E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50229856
PNG
(CHEMBL102001)
Show SMILES Oc1[nH]c(Nc2cccc(CN=[N+]=[N-])c2)nc2ncnc12
Show InChI InChI=1S/C12H10N8O/c13-20-16-5-7-2-1-3-8(4-7)17-12-18-10-9(11(21)19-12)14-6-15-10/h1-4,6H,5H2,(H3,14,15,17,18,19,21)
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n/an/a 1.51E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50013098
PNG
(2-(3-Chloro-phenylamino)-1,9-dihydro-purin-6-one |...)
Show SMILES Clc1cccc(Nc2nc3nc[nH]c3c(=O)[nH]2)c1
Show InChI InChI=1S/C11H8ClN5O/c12-6-2-1-3-7(4-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)
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n/an/a 1.51E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50229850
PNG
(CHEMBL406300)
Show SMILES Oc1[nH]c(Nc2cccc(Br)c2)nc2ncnc12
Show InChI InChI=1S/C11H8BrN5O/c12-6-2-1-3-7(4-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)
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n/an/a 1.51E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50013094
PNG
(2-Phenylamino-1,9-dihydro-purin-6-one | 2-Phenylam...)
Show SMILES O=c1[nH]c(Nc2ccccc2)nc2nc[nH]c12
Show InChI InChI=1S/C11H9N5O/c17-10-8-9(13-6-12-8)15-11(16-10)14-7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15,16,17)
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n/an/a 1.59E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50013096
PNG
(2-(3,4-Difluoro-phenylamino)-1,9-dihydro-purin-6-o...)
Show SMILES Fc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1F
Show InChI InChI=1S/C11H7F2N5O/c12-6-2-1-5(3-7(6)13)16-11-17-9-8(10(19)18-11)14-4-15-9/h1-4H,(H3,14,15,16,17,18,19)
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n/an/a 2.19E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50013089
PNG
(2-(3-Chloro-4-methyl-phenylamino)-1,9-dihydro-puri...)
Show SMILES Cc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1Cl
Show InChI InChI=1S/C12H10ClN5O/c1-6-2-3-7(4-8(6)13)16-12-17-10-9(11(19)18-12)14-5-15-10/h2-5H,1H3,(H3,14,15,16,17,18,19)
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n/an/a 2.51E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50013099
PNG
(2-(3-Ethyl-phenylamino)-1,9-dihydro-purin-6-one | ...)
Show SMILES CCc1cccc(Nc2nc3nc[nH]c3c(=O)[nH]2)c1
Show InChI InChI=1S/C13H13N5O/c1-2-8-4-3-5-9(6-8)16-13-17-11-10(12(19)18-13)14-7-15-11/h3-7H,2H2,1H3,(H3,14,15,16,17,18,19)
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n/an/a 2.51E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50013087
PNG
(2-(3-Chloro-4-fluoro-phenylamino)-1,9-dihydro-puri...)
Show SMILES Fc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1Cl
Show InChI InChI=1S/C11H7ClFN5O/c12-6-3-5(1-2-7(6)13)16-11-17-9-8(10(19)18-11)14-4-15-9/h1-4H,(H3,14,15,16,17,18,19)
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n/an/a 2.51E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50013088
PNG
(2-(3,4-Dibromo-phenylamino)-1,9-dihydro-purin-6-on...)
Show SMILES Brc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1Br
Show InChI InChI=1S/C11H7Br2N5O/c12-6-2-1-5(3-7(6)13)16-11-17-9-8(10(19)18-11)14-4-15-9/h1-4H,(H3,14,15,16,17,18,19)
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n/an/a 3.02E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50013085
PNG
(2-(3-Propyl-phenylamino)-1,9-dihydro-purin-6-one |...)
Show SMILES CCCc1cccc(Nc2nc3nc[nH]c3c(=O)[nH]2)c1
Show InChI InChI=1S/C14H15N5O/c1-2-4-9-5-3-6-10(7-9)17-14-18-12-11(13(20)19-14)15-8-16-12/h3,5-8H,2,4H2,1H3,(H3,15,16,17,18,19,20)
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n/an/a 3.02E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50013085
PNG
(2-(3-Propyl-phenylamino)-1,9-dihydro-purin-6-one |...)
Show SMILES CCCc1cccc(Nc2nc3nc[nH]c3c(=O)[nH]2)c1
Show InChI InChI=1S/C14H15N5O/c1-2-4-9-5-3-6-10(7-9)17-14-18-12-11(13(20)19-14)15-8-16-12/h3,5-8H,2,4H2,1H3,(H3,15,16,17,18,19,20)
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n/an/a 3.31E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50013099
PNG
(2-(3-Ethyl-phenylamino)-1,9-dihydro-purin-6-one | ...)
Show SMILES CCc1cccc(Nc2nc3nc[nH]c3c(=O)[nH]2)c1
Show InChI InChI=1S/C13H13N5O/c1-2-8-4-3-5-9(6-8)16-13-17-11-10(12(19)18-13)14-7-15-11/h3-7H,2H2,1H3,(H3,14,15,16,17,18,19)
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n/an/a 3.98E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50229853
PNG
(CHEMBL406058)
Show SMILES Oc1[nH]c(Nc2cccc(c2)C#N)nc2ncnc12
Show InChI InChI=1S/C12H8N6O/c13-5-7-2-1-3-8(4-7)16-12-17-10-9(11(19)18-12)14-6-15-10/h1-4,6H,(H3,14,15,16,17,18,19)
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n/an/a 5.01E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50229857
PNG
(CHEMBL318027)
Show SMILES Oc1[nH]c(Nc2ccc(Cl)c(c2)C(F)(F)F)nc2ncnc12
Show InChI InChI=1S/C12H7ClF3N5O/c13-7-2-1-5(3-6(7)12(14,15)16)19-11-20-9-8(10(22)21-11)17-4-18-9/h1-4H,(H3,17,18,19,20,21,22)
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n/an/a 5.01E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50013095
PNG
(2-p-Tolylamino-1,9-dihydro-purin-6-one | CHEMBL368...)
Show SMILES Cc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1
Show InChI InChI=1S/C12H11N5O/c1-7-2-4-8(5-3-7)15-12-16-10-9(11(18)17-12)13-6-14-10/h2-6H,1H3,(H3,13,14,15,16,17,18)
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n/an/a 6.03E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50013093
PNG
(2-(3-Ethyl-4-methyl-phenylamino)-1,9-dihydro-purin...)
Show SMILES CCc1cc(Nc2nc3nc[nH]c3c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C14H15N5O/c1-3-9-6-10(5-4-8(9)2)17-14-18-12-11(13(20)19-14)15-7-16-12/h4-7H,3H2,1-2H3,(H3,15,16,17,18,19,20)
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n/an/a 6.92E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50013093
PNG
(2-(3-Ethyl-4-methyl-phenylamino)-1,9-dihydro-purin...)
Show SMILES CCc1cc(Nc2nc3nc[nH]c3c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C14H15N5O/c1-3-9-6-10(5-4-8(9)2)17-14-18-12-11(13(20)19-14)15-7-16-12/h4-7H,3H2,1-2H3,(H3,15,16,17,18,19,20)
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n/an/a 7.94E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50013094
PNG
(2-Phenylamino-1,9-dihydro-purin-6-one | 2-Phenylam...)
Show SMILES O=c1[nH]c(Nc2ccccc2)nc2nc[nH]c12
Show InChI InChI=1S/C11H9N5O/c17-10-8-9(13-6-12-8)15-11(16-10)14-7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15,16,17)
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n/an/a 7.94E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50013087
PNG
(2-(3-Chloro-4-fluoro-phenylamino)-1,9-dihydro-puri...)
Show SMILES Fc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1Cl
Show InChI InChI=1S/C11H7ClFN5O/c12-6-3-5(1-2-7(6)13)16-11-17-9-8(10(19)18-11)14-4-15-9/h1-4H,(H3,14,15,16,17,18,19)
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n/an/a 7.94E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50229864
PNG
(CHEMBL420269)
Show SMILES Oc1[nH]c(Nc2ccc(I)cc2)nc2ncnc12
Show InChI InChI=1S/C11H8IN5O/c12-6-1-3-7(4-2-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)
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n/an/a 8.91E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50013075
PNG
(2-(Indan-5-ylamino)-1,9-dihydro-purin-6-one | CHEM...)
Show SMILES O=c1[nH]c(Nc2ccc3CCCc3c2)nc2nc[nH]c12
Show InChI InChI=1S/C14H13N5O/c20-13-11-12(16-7-15-11)18-14(19-13)17-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H3,15,16,17,18,19,20)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50013073
PNG
(2-(Naphthalen-2-ylamino)-1,9-dihydro-purin-6-one |...)
Show SMILES O=c1[nH]c(Nc2ccc3ccccc3c2)nc2nc[nH]c12
Show InChI InChI=1S/C15H11N5O/c21-14-12-13(17-8-16-12)19-15(20-14)18-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H3,16,17,18,19,20,21)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50013089
PNG
(2-(3-Chloro-4-methyl-phenylamino)-1,9-dihydro-puri...)
Show SMILES Cc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1Cl
Show InChI InChI=1S/C12H10ClN5O/c1-6-2-3-7(4-8(6)13)16-12-17-10-9(11(19)18-12)14-5-15-10/h2-5H,1H3,(H3,14,15,16,17,18,19)
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50013075
PNG
(2-(Indan-5-ylamino)-1,9-dihydro-purin-6-one | CHEM...)
Show SMILES O=c1[nH]c(Nc2ccc3CCCc3c2)nc2nc[nH]c12
Show InChI InChI=1S/C14H13N5O/c20-13-11-12(16-7-15-11)18-14(19-13)17-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H3,15,16,17,18,19,20)
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n/an/a 1.51E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50229857
PNG
(CHEMBL318027)
Show SMILES Oc1[nH]c(Nc2ccc(Cl)c(c2)C(F)(F)F)nc2ncnc12
Show InChI InChI=1S/C12H7ClF3N5O/c13-7-2-1-5(3-6(7)12(14,15)16)19-11-20-9-8(10(22)21-11)17-4-18-9/h1-4H,(H3,17,18,19,20,21,22)
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50013082
PNG
(2-(3-Hydroxymethyl-phenylamino)-1,9-dihydro-purin-...)
Show SMILES OCc1cccc(Nc2nc3nc[nH]c3c(=O)[nH]2)c1
Show InChI InChI=1S/C12H11N5O2/c18-5-7-2-1-3-8(4-7)15-12-16-10-9(11(19)17-12)13-6-14-10/h1-4,6,18H,5H2,(H3,13,14,15,16,17,19)
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50013100
PNG
(2-(4-Ethyl-phenylamino)-1,9-dihydro-purin-6-one | ...)
Show SMILES CCc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1
Show InChI InChI=1S/C13H13N5O/c1-2-8-3-5-9(6-4-8)16-13-17-11-10(12(19)18-13)14-7-15-11/h3-7H,2H2,1H3,(H3,14,15,16,17,18,19)
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50013084
PNG
(2-(4-Hydroxy-phenylamino)-1,9-dihydro-purin-6-one ...)
Show SMILES Oc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1
Show InChI InChI=1S/C11H9N5O2/c17-7-3-1-6(2-4-7)14-11-15-9-8(10(18)16-11)12-5-13-9/h1-5,17H,(H3,12,13,14,15,16,18)
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50229858
PNG
(CHEMBL101730)
Show SMILES NCc1cccc(Nc2nc(O)c3[nH]cnc3n2)c1
Show InChI InChI=1S/C12H12N6O/c13-5-7-2-1-3-8(4-7)16-12-17-10-9(11(19)18-12)14-6-15-10/h1-4,6H,5,13H2,(H3,14,15,16,17,18,19)
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50013082
PNG
(2-(3-Hydroxymethyl-phenylamino)-1,9-dihydro-purin-...)
Show SMILES OCc1cccc(Nc2nc3nc[nH]c3c(=O)[nH]2)c1
Show InChI InChI=1S/C12H11N5O2/c18-5-7-2-1-3-8(4-7)15-12-16-10-9(11(19)17-12)13-6-14-10/h1-4,6,18H,5H2,(H3,13,14,15,16,17,19)
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n/an/a 2.51E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50013100
PNG
(2-(4-Ethyl-phenylamino)-1,9-dihydro-purin-6-one | ...)
Show SMILES CCc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1
Show InChI InChI=1S/C13H13N5O/c1-2-8-3-5-9(6-4-8)16-13-17-11-10(12(19)18-13)14-7-15-11/h3-7H,2H2,1H3,(H3,14,15,16,17,18,19)
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n/an/a 2.51E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50229855
PNG
(CHEMBL101651)
Show SMILES CCCc1ccc(Nc2nc(O)c3[nH]cnc3n2)cc1
Show InChI InChI=1S/C14H15N5O/c1-2-3-9-4-6-10(7-5-9)17-14-18-12-11(13(20)19-14)15-8-16-12/h4-8H,2-3H2,1H3,(H3,15,16,17,18,19,20)
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n/an/a 3.02E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50229858
PNG
(CHEMBL101730)
Show SMILES NCc1cccc(Nc2nc(O)c3[nH]cnc3n2)c1
Show InChI InChI=1S/C12H12N6O/c13-5-7-2-1-3-8(4-7)16-12-17-10-9(11(19)18-12)14-6-15-10/h1-4,6H,5,13H2,(H3,14,15,16,17,18,19)
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n/an/a 3.02E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50013076
PNG
(2-(4-Trifluoromethyl-phenylamino)-1,9-dihydro-puri...)
Show SMILES FC(F)(F)c1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1
Show InChI InChI=1S/C12H8F3N5O/c13-12(14,15)6-1-3-7(4-2-6)18-11-19-9-8(10(21)20-11)16-5-17-9/h1-5H,(H3,16,17,18,19,20,21)
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n/an/a 3.02E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50013091
PNG
(2-(3,4-Dichloro-phenylamino)-1,9-dihydro-purin-6-o...)
Show SMILES Clc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1Cl
Show InChI InChI=1S/C11H7Cl2N5O/c12-6-2-1-5(3-7(6)13)16-11-17-9-8(10(19)18-11)14-4-15-9/h1-4H,(H3,14,15,16,17,18,19)
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n/an/a 3.02E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50013073
PNG
(2-(Naphthalen-2-ylamino)-1,9-dihydro-purin-6-one |...)
Show SMILES O=c1[nH]c(Nc2ccc3ccccc3c2)nc2nc[nH]c12
Show InChI InChI=1S/C15H11N5O/c21-14-12-13(17-8-16-12)19-15(20-14)18-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H3,16,17,18,19,20,21)
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n/an/a 3.98E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50229859
PNG
(CHEMBL319254)
Show SMILES CCCCc1ccc(Nc2nc(O)c3[nH]cnc3n2)cc1C
Show InChI InChI=1S/C16H19N5O/c1-3-4-5-11-6-7-12(8-10(11)2)19-16-20-14-13(15(22)21-16)17-9-18-14/h6-9H,3-5H2,1-2H3,(H3,17,18,19,20,21,22)
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n/an/a 3.98E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50013076
PNG
(2-(4-Trifluoromethyl-phenylamino)-1,9-dihydro-puri...)
Show SMILES FC(F)(F)c1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1
Show InChI InChI=1S/C12H8F3N5O/c13-12(14,15)6-1-3-7(4-2-6)18-11-19-9-8(10(21)20-11)16-5-17-9/h1-5H,(H3,16,17,18,19,20,21)
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n/an/a 3.98E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50229864
PNG
(CHEMBL420269)
Show SMILES Oc1[nH]c(Nc2ccc(I)cc2)nc2ncnc12
Show InChI InChI=1S/C11H8IN5O/c12-6-1-3-7(4-2-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)
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n/an/a 3.98E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50229855
PNG
(CHEMBL101651)
Show SMILES CCCc1ccc(Nc2nc(O)c3[nH]cnc3n2)cc1
Show InChI InChI=1S/C14H15N5O/c1-2-3-9-4-6-10(7-5-9)17-14-18-12-11(13(20)19-14)15-8-16-12/h4-8H,2-3H2,1H3,(H3,15,16,17,18,19,20)
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n/an/a 4.68E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50013074
PNG
(2-(4-Butyl-phenylamino)-1,9-dihydro-purin-6-one | ...)
Show SMILES CCCCc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1
Show InChI InChI=1S/C15H17N5O/c1-2-3-4-10-5-7-11(8-6-10)18-15-19-13-12(14(21)20-15)16-9-17-13/h5-9H,2-4H2,1H3,(H3,16,17,18,19,20,21)
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n/an/a 5.01E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50013095
PNG
(2-p-Tolylamino-1,9-dihydro-purin-6-one | CHEMBL368...)
Show SMILES Cc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1
Show InChI InChI=1S/C12H11N5O/c1-7-2-4-8(5-3-7)15-12-16-10-9(11(18)17-12)13-6-14-10/h2-6H,1H3,(H3,13,14,15,16,17,18)
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n/an/a 5.01E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50013074
PNG
(2-(4-Butyl-phenylamino)-1,9-dihydro-purin-6-one | ...)
Show SMILES CCCCc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1
Show InChI InChI=1S/C15H17N5O/c1-2-3-4-10-5-7-11(8-6-10)18-15-19-13-12(14(21)20-15)16-9-17-13/h5-9H,2-4H2,1H3,(H3,16,17,18,19,20,21)
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n/an/a 5.01E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50229860
PNG
(CHEMBL101143)
Show SMILES Oc1[nH]c(Nc2ccc(Cl)cc2)nc2ncnc12
Show InChI InChI=1S/C11H8ClN5O/c12-6-1-3-7(4-2-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)
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n/an/a 5.01E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50013096
PNG
(2-(3,4-Difluoro-phenylamino)-1,9-dihydro-purin-6-o...)
Show SMILES Fc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1F
Show InChI InChI=1S/C11H7F2N5O/c12-6-2-1-5(3-7(6)13)16-11-17-9-8(10(19)18-11)14-4-15-9/h1-4H,(H3,14,15,16,17,18,19)
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n/an/a 5.01E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50013091
PNG
(2-(3,4-Dichloro-phenylamino)-1,9-dihydro-purin-6-o...)
Show SMILES Clc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1Cl
Show InChI InChI=1S/C11H7Cl2N5O/c12-6-2-1-5(3-7(6)13)16-11-17-9-8(10(19)18-11)14-4-15-9/h1-4H,(H3,14,15,16,17,18,19)
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50229860
PNG
(CHEMBL101143)
Show SMILES Oc1[nH]c(Nc2ccc(Cl)cc2)nc2ncnc12
Show InChI InChI=1S/C11H8ClN5O/c12-6-1-3-7(4-2-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50229863
PNG
(CHEMBL103978)
Show SMILES CC(C)c1ccc(Nc2nc(O)c3[nH]cnc3n2)cc1
Show InChI InChI=1S/C14H15N5O/c1-8(2)9-3-5-10(6-4-9)17-14-18-12-11(13(20)19-14)15-7-16-12/h3-8H,1-2H3,(H3,15,16,17,18,19,20)
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50013084
PNG
(2-(4-Hydroxy-phenylamino)-1,9-dihydro-purin-6-one ...)
Show SMILES Oc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1
Show InChI InChI=1S/C11H9N5O2/c17-7-3-1-6(2-4-7)14-11-15-9-8(10(18)16-11)12-5-13-9/h1-5,17H,(H3,12,13,14,15,16,18)
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n/an/a 1.41E+5n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50229863
PNG
(CHEMBL103978)
Show SMILES CC(C)c1ccc(Nc2nc(O)c3[nH]cnc3n2)cc1
Show InChI InChI=1S/C14H15N5O/c1-8(2)9-3-5-10(6-4-9)17-14-18-12-11(13(20)19-14)15-7-16-12/h3-8H,1-2H3,(H3,15,16,17,18,19,20)
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n/an/a 2.00E+5n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50229851
PNG
(CHEMBL99634)
Show SMILES Cc1ccc(Nc2nc(O)c3[nH]cnc3n2)cc1CO
Show InChI InChI=1S/C13H13N5O2/c1-7-2-3-9(4-8(7)5-19)16-13-17-11-10(12(20)18-13)14-6-15-11/h2-4,6,19H,5H2,1H3,(H3,14,15,16,17,18,20)
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n/an/a 2.00E+5n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50229861
PNG
(CHEMBL327494)
Show SMILES CCCCCc1ccc(Nc2nc(O)c3[nH]cnc3n2)cc1
Show InChI InChI=1S/C16H19N5O/c1-2-3-4-5-11-6-8-12(9-7-11)19-16-20-14-13(15(22)21-16)17-10-18-14/h6-10H,2-5H2,1H3,(H3,17,18,19,20,21,22)
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n/an/a 2.51E+5n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50229852
PNG
(CHEMBL298986)
Show SMILES Oc1[nH]c(Nc2ccc(F)cc2)nc2ncnc12
Show InChI InChI=1S/C11H8FN5O/c12-6-1-3-7(4-2-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)
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n/an/a 2.57E+5n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50229851
PNG
(CHEMBL99634)
Show SMILES Cc1ccc(Nc2nc(O)c3[nH]cnc3n2)cc1CO
Show InChI InChI=1S/C13H13N5O2/c1-7-2-3-9(4-8(7)5-19)16-13-17-11-10(12(20)18-13)14-6-15-11/h2-4,6,19H,5H2,1H3,(H3,14,15,16,17,18,20)
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n/an/a 2.69E+5n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50229852
PNG
(CHEMBL298986)
Show SMILES Oc1[nH]c(Nc2ccc(F)cc2)nc2ncnc12
Show InChI InChI=1S/C11H8FN5O/c12-6-1-3-7(4-2-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.02E+5n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50229861
PNG
(CHEMBL327494)
Show SMILES CCCCCc1ccc(Nc2nc(O)c3[nH]cnc3n2)cc1
Show InChI InChI=1S/C16H19N5O/c1-2-3-4-5-11-6-8-12(9-7-11)19-16-20-14-13(15(22)21-16)17-10-18-14/h6-10H,2-5H2,1H3,(H3,17,18,19,20,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.01E+5n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells

J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%