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PubMed code 2153203

Compile data set for download or QSAR
Found 60 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 1)		BDBM50123605
PNG
(CHEMBL3143935)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2C1=NC(Nc1ccccc1)=NC2=O |r,c:10,24,t:14|
Show InChI InChI=1S/C16H17N5O4/c22-7-11-10(23)6-12(25-11)21-8-17-13-14(21)19-16(20-15(13)24)18-9-4-2-1-3-5-9/h1-5,8,10-13,22-23H,6-7H2,(H,18,20,24)/t10-,11+,12+,13?/m0/s1
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 300n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 2

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50123605
PNG
(CHEMBL3143935)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2C1=NC(Nc1ccccc1)=NC2=O |r,c:10,24,t:14|
Show InChI InChI=1S/C16H17N5O4/c22-7-11-10(23)6-12(25-11)21-8-17-13-14(21)19-16(20-15(13)24)18-9-4-2-1-3-5-9/h1-5,8,10-13,22-23H,6-7H2,(H,18,20,24)/t10-,11+,12+,13?/m0/s1
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 700n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 2

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50123608
PNG
(CHEMBL3144572)
Show SMILES CCCCCCNC1=NC(=O)C2N=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C2=N1 |r,c:12,25,t:7|
Show InChI InChI=1S/C16H25N5O4/c1-2-3-4-5-6-17-16-19-14-13(15(24)20-16)18-9-21(14)12-7-10(23)11(8-22)25-12/h9-13,22-23H,2-8H2,1H3,(H,17,20,24)/t10-,11+,12+,13?/m0/s1
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 2.00E+3n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase (TK) assay for herpes simplex virus type 1 (HSV-1).

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		BDBM50123608
PNG
(CHEMBL3144572)
Show SMILES CCCCCCNC1=NC(=O)C2N=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C2=N1 |r,c:12,25,t:7|
Show InChI InChI=1S/C16H25N5O4/c1-2-3-4-5-6-17-16-19-14-13(15(24)20-16)18-9-21(14)12-7-10(23)11(8-22)25-12/h9-13,22-23H,2-8H2,1H3,(H,17,20,24)/t10-,11+,12+,13?/m0/s1
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 2.60E+3n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 2

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
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 100n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 2

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		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 150n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
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 350n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
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 600n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		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
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		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 1.30E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
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 1.30E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 2

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
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 1.60E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50013090
PNG
(2-Benzylamino-9H-purin-6-ol | CHEMBL292057)
Show SMILES O=c1[nH]c(NCc2ccccc2)nc2nc[nH]c12
Show InChI InChI=1S/C12H11N5O/c18-11-9-10(15-7-14-9)16-12(17-11)13-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17,18)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 2

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
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 2.20E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
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 2.50E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 2

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
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 2.50E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		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 2.50E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		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 3.00E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
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 3.00E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase (TK) assay for herpes simplex virus type 2 (HSV-2).

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		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 3.30E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
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 4.00E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 2

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50013080
PNG
(2-(4-Chloro-benzylamino)-9H-purin-6-ol | CHEMBL294...)
Show SMILES Clc1ccc(CNc2nc3nc[nH]c3c(=O)[nH]2)cc1
Show InChI InChI=1S/C12H10ClN5O/c13-8-3-1-7(2-4-8)5-14-12-17-10-9(11(19)18-12)15-6-16-10/h1-4,6H,5H2,(H3,14,15,16,17,18,19)
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
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 6.00E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		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 7.00E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		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 8.00E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
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 8.00E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50013083
PNG
((6-Chloro-9H-purin-2-yl)-phenyl-amine | CHEMBL6476...)
Show SMILES Clc1nc(Nc2ccccc2)nc2nc[nH]c12
Show InChI InChI=1S/C11H8ClN5/c12-9-8-10(14-6-13-8)17-11(16-9)15-7-4-2-1-3-5-7/h1-6H,(H2,13,14,15,16,17)
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		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 8.00E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		BDBM50013080
PNG
(2-(4-Chloro-benzylamino)-9H-purin-6-ol | CHEMBL294...)
Show SMILES Clc1ccc(CNc2nc3nc[nH]c3c(=O)[nH]2)cc1
Show InChI InChI=1S/C12H10ClN5O/c13-8-3-1-7(2-4-8)5-14-12-17-10-9(11(19)18-12)15-6-16-10/h1-4,6H,5H2,(H3,14,15,16,17,18,19)
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n/an/a 8.50E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50013092
PNG
(CHEMBL64298 | N*2*-Phenyl-9H-purine-2,6-diamine)
Show SMILES Nc1nc(Nc2ccccc2)nc2nc[nH]c12
Show InChI InChI=1S/C11H10N6/c12-9-8-10(14-6-13-8)17-11(16-9)15-7-4-2-1-3-5-7/h1-6H,(H4,12,13,14,15,16,17)
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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
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50013077
PNG
(2-Hexylamino-1,9-dihydro-purin-6-one | 2-Hexylamin...)
Show SMILES CCCCCCNc1nc2nc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H17N5O/c1-2-3-4-5-6-12-11-15-9-8(10(17)16-11)13-7-14-9/h7H,2-6H2,1H3,(H3,12,13,14,15,16,17)
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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
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		BDBM50013081
PNG
(2-(3-Chloro-benzylamino)-9H-purin-6-ol | CHEMBL653...)
Show SMILES Clc1cccc(CNc2nc3nc[nH]c3c(=O)[nH]2)c1
Show InChI InChI=1S/C12H10ClN5O/c13-8-3-1-2-7(4-8)5-14-12-17-10-9(11(19)18-12)15-6-16-10/h1-4,6H,5H2,(H3,14,15,16,17,18,19)
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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
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
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 1.00E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase (TK) assay for herpes simplex virus type 2 (HSV-2).

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
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 1.00E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 2

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		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
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50013081
PNG
(2-(3-Chloro-benzylamino)-9H-purin-6-ol | CHEMBL653...)
Show SMILES Clc1cccc(CNc2nc3nc[nH]c3c(=O)[nH]2)c1
Show InChI InChI=1S/C12H10ClN5O/c13-8-3-1-2-7(4-8)5-14-12-17-10-9(11(19)18-12)15-6-16-10/h1-4,6H,5H2,(H3,14,15,16,17,18,19)
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		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 1.50E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		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
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
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 2.00E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase (TK) assay for herpes simplex virus type 1 (HSV-1).

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
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 2.00E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 2

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50013097
PNG
(2-Butylamino-1,9-dihydro-purin-6-one | 2-Butylamin...)
Show SMILES CCCCNc1nc2nc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C9H13N5O/c1-2-3-4-10-9-13-7-6(8(15)14-9)11-5-12-7/h5H,2-4H2,1H3,(H3,10,11,12,13,14,15)
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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
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		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 2.50E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		BDBM50013097
PNG
(2-Butylamino-1,9-dihydro-purin-6-one | 2-Butylamin...)
Show SMILES CCCCNc1nc2nc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C9H13N5O/c1-2-3-4-10-9-13-7-6(8(15)14-9)11-5-12-7/h5H,2-4H2,1H3,(H3,10,11,12,13,14,15)
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
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 2.50E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 2

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
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 3.00E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 2

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		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 3.00E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
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 4.00E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 2

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50013072
PNG
(2-(5-Hydroxy-pentylamino)-9H-purin-6-ol | CHEMBL29...)
Show SMILES OCCCCCNc1nc2nc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C10H15N5O2/c16-5-3-1-2-4-11-10-14-8-7(9(17)15-10)12-6-13-8/h6,16H,1-5H2,(H3,11,12,13,14,15,17)
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 2

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		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 4.00E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		BDBM50013090
PNG
(2-Benzylamino-9H-purin-6-ol | CHEMBL292057)
Show SMILES O=c1[nH]c(NCc2ccccc2)nc2nc[nH]c12
Show InChI InChI=1S/C12H11N5O/c18-11-9-10(15-7-14-9)16-12(17-11)13-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17,18)
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		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 5.00E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
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 5.00E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		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 5.00E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		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 5.00E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		BDBM50013083
PNG
((6-Chloro-9H-purin-2-yl)-phenyl-amine | CHEMBL6476...)
Show SMILES Clc1nc(Nc2ccccc2)nc2nc[nH]c12
Show InChI InChI=1S/C11H8ClN5/c12-9-8-10(14-6-13-8)17-11(16-9)15-7-4-2-1-3-5-7/h1-6H,(H2,13,14,15,16,17)
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n/an/a 5.50E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		BDBM50013077
PNG
(2-Hexylamino-1,9-dihydro-purin-6-one | 2-Hexylamin...)
Show SMILES CCCCCCNc1nc2nc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H17N5O/c1-2-3-4-5-6-12-11-15-9-8(10(17)16-11)13-7-14-9/h7H,2-6H2,1H3,(H3,12,13,14,15,16,17)
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n/an/a 5.50E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		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
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		BDBM50013072
PNG
(2-(5-Hydroxy-pentylamino)-9H-purin-6-ol | CHEMBL29...)
Show SMILES OCCCCCNc1nc2nc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C10H15N5O2/c16-5-3-1-2-4-11-10-14-8-7(9(17)15-10)12-6-13-8/h6,16H,1-5H2,(H3,11,12,13,14,15,17)
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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
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		BDBM50013092
PNG
(CHEMBL64298 | N*2*-Phenyl-9H-purine-2,6-diamine)
Show SMILES Nc1nc(Nc2ccccc2)nc2nc[nH]c12
Show InChI InChI=1S/C11H10N6/c12-9-8-10(14-6-13-8)17-11(16-9)15-7-4-2-1-3-5-7/h1-6H,(H4,12,13,14,15,16,17)
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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
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)		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 1.40E+5n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1

J Med Chem 33: 203-6 (1990)


BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%