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Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'medveczky' and Initial = 'm'   
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 (strain SC16) (HHV-1) (Human h...)		BDBM50366681
PNG
(BRIVUDINE | BVDU | Bridic | Brivox | Brivudin | Br...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C=CBr)c(=O)[nH]c1=O |r,w:12.13|
Show InChI InChI=1S/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/t7-,8+,9+/m0/s1
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 240n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Herpes simplex virus 1 recombinant thymidine kinase

Antimicrob Agents Chemother 51: 2028-34 (2007)


Article DOI: 10.1128/AAC.01284-06
BindingDB Entry DOI: 10.7270/Q2RN38R9
More data for this
Ligand-Target Pair
Thymidine kinase


(Macacine herpesvirus 1)		BDBM50132292
PNG
(5-Ethyl-1-((2R,5R)-4-hydroxy-5-hydroxymethyl-tetra...)
Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1
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n/an/a 150n/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation

Antimicrob Agents Chemother 51: 2028-34 (2007)


Article DOI: 10.1128/AAC.01284-06
BindingDB Entry DOI: 10.7270/Q2RN38R9
More data for this
Ligand-Target Pair
DNA primase


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50034949
PNG
(2-Amino-6-(3,5-dichloro-phenylamino)-3H-pyrimidin-...)
Show SMILES Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(=O)[nH]1
Show InChI InChI=1S/C10H8Cl2N4O/c11-5-1-6(12)3-7(2-5)14-8-4-9(17)16-10(13)15-8/h1-4H,(H4,13,14,15,16,17)
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n/an/a 770n/an/an/an/an/an/a



Stanford University Medical School

Curated by ChEMBL


Assay Description
Inhibition against DNA-Dependent GTPase activity of HSV-1 helicase-primase in HSV-1-infected CV-1 cells

J Med Chem 38: 1820-5 (1995)


BindingDB Entry DOI: 10.7270/Q29K4983
More data for this
Ligand-Target Pair
DNA primase


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50034950
PNG
(2-Amino-6-(3,4-dichloro-phenylamino)-3H-pyrimidin-...)
Show SMILES Nc1nc(Nc2ccc(Cl)c(Cl)c2)cc(=O)[nH]1
Show InChI InChI=1S/C10H8Cl2N4O/c11-6-2-1-5(3-7(6)12)14-8-4-9(17)16-10(13)15-8/h1-4H,(H4,13,14,15,16,17)
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n/an/a 850n/an/an/an/an/an/a



Stanford University Medical School

Curated by ChEMBL


Assay Description
Inhibition against DNA-Dependent GTPase activity of HSV-1 helicase-primase in HSV-1-infected CV-1 cells

J Med Chem 38: 1820-5 (1995)


BindingDB Entry DOI: 10.7270/Q29K4983
More data for this
Ligand-Target Pair
DNA primase


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50034955
PNG
(CHEMBL53605 | N*2*-(3,4-Dichloro-phenyl)-9H-purine...)
Show SMILES Nc1nc(Nc2ccc(Cl)c(Cl)c2)nc2nc[nH]c12
Show InChI InChI=1S/C11H8Cl2N6/c12-6-2-1-5(3-7(6)13)17-11-18-9(14)8-10(19-11)16-4-15-8/h1-4H,(H4,14,15,16,17,18,19)
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n/an/a 850n/an/an/an/an/an/a



Stanford University Medical School

Curated by ChEMBL


Assay Description
Inhibition against DNA-Dependent GTPase activity of HSV-1 helicase-primase in HSV-1-infected CV-1 cells

J Med Chem 38: 1820-5 (1995)


BindingDB Entry DOI: 10.7270/Q29K4983
More data for this
Ligand-Target Pair
DNA primase


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		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 880n/an/an/an/an/an/a



Stanford University Medical School

Curated by ChEMBL


Assay Description
Inhibition against DNA-Dependent GTPase activity of HSV-1 helicase-primase in HSV-1-infected CV-1 cells

J Med Chem 38: 1820-5 (1995)


BindingDB Entry DOI: 10.7270/Q29K4983
More data for this
Ligand-Target Pair
DNA primase


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50034947
PNG
(2-(3,5-Dichloro-phenylamino)-1,9-dihydro-purin-6-o...)
Show SMILES Clc1cc(Cl)cc(Nc2nc3nc[nH]c3c(=O)[nH]2)c1
Show InChI InChI=1S/C11H7Cl2N5O/c12-5-1-6(13)3-7(2-5)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 910n/an/an/an/an/an/a



Stanford University Medical School

Curated by ChEMBL


Assay Description
Inhibition against DNA-Dependent GTPase activity of HSV-1 helicase-primase in HSV-1-infected CV-1 cells

J Med Chem 38: 1820-5 (1995)


BindingDB Entry DOI: 10.7270/Q29K4983
More data for this
Ligand-Target Pair
DNA primase


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50034963
PNG
(CHEMBL51501 | N*2*-(3,5-Dichloro-phenyl)-9H-purine...)
Show SMILES Nc1nc(Nc2cc(Cl)cc(Cl)c2)nc2nc[nH]c12
Show InChI InChI=1S/C11H8Cl2N6/c12-5-1-6(13)3-7(2-5)17-11-18-9(14)8-10(19-11)16-4-15-8/h1-4H,(H4,14,15,16,17,18,19)
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n/an/a 920n/an/an/an/an/an/a



Stanford University Medical School

Curated by ChEMBL


Assay Description
Inhibition against DNA-Dependent GTPase activity of HSV-1 helicase-primase in HSV-1-infected CV-1 cells

J Med Chem 38: 1820-5 (1995)


BindingDB Entry DOI: 10.7270/Q29K4983
More data for this
Ligand-Target Pair
Thymidine kinase


(Macacine herpesvirus 1)		BDBM21877
PNG
(2,9-disubstituted 6-oxopurine, 12a | 9-[4-(dimethy...)
Show SMILES CN(C)CCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C17H22N6O/c1-22(2)10-6-7-11-23-12-18-14-15(23)20-17(21-16(14)24)19-13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H2,19,20,21,24)
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n/an/a 1.20E+3n/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation

Antimicrob Agents Chemother 51: 2028-34 (2007)


Article DOI: 10.1128/AAC.01284-06
BindingDB Entry DOI: 10.7270/Q2RN38R9
More data for this
Ligand-Target Pair
Thymidine kinase


(Macacine herpesvirus 1)		BDBM50370388
PNG
(5IUDR | Allergan 211 | Allergan-211 | Dendrid | He...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation

Antimicrob Agents Chemother 51: 2028-34 (2007)


Article DOI: 10.1128/AAC.01284-06
BindingDB Entry DOI: 10.7270/Q2RN38R9
More data for this
Ligand-Target Pair
DNA primase


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50034952
PNG
(6-(3,5-Dichloro-phenylamino)-1H-pyrimidine-2,4-dio...)
Show SMILES Clc1cc(Cl)cc(Nc2cc(=O)[nH]c(=O)[nH]2)c1
Show InChI InChI=1S/C10H7Cl2N3O2/c11-5-1-6(12)3-7(2-5)13-8-4-9(16)15-10(17)14-8/h1-4H,(H3,13,14,15,16,17)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Stanford University Medical School

Curated by ChEMBL


Assay Description
Inhibition against DNA-Dependent GTPase activity of HSV-1 helicase-primase in HSV-1-infected CV-1 cells

J Med Chem 38: 1820-5 (1995)


BindingDB Entry DOI: 10.7270/Q29K4983
More data for this
Ligand-Target Pair
Thymidine kinase


(Macacine herpesvirus 1)		BDBM50132298
PNG
(1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahyd...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F |r|
Show InChI InChI=1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)/t5-,6+,7+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation

Antimicrob Agents Chemother 51: 2028-34 (2007)


Article DOI: 10.1128/AAC.01284-06
BindingDB Entry DOI: 10.7270/Q2RN38R9
More data for this
Ligand-Target Pair
DNA primase


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50028342
PNG
(6-(3,4-Dichloro-phenylamino)-1H-pyrimidine-2,4-dio...)
Show SMILES Clc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1Cl
Show InChI InChI=1S/C10H7Cl2N3O2/c11-6-2-1-5(3-7(6)12)13-8-4-9(16)15-10(17)14-8/h1-4H,(H3,13,14,15,16,17)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Stanford University Medical School

Curated by ChEMBL


Assay Description
Inhibition against DNA-Dependent GTPase activity of HSV-1 helicase-primase in HSV-1-infected CV-1 cells

J Med Chem 38: 1820-5 (1995)


BindingDB Entry DOI: 10.7270/Q29K4983
More data for this
Ligand-Target Pair
Thymidine kinase


(Macacine herpesvirus 1)		BDBM50375780
PNG
(CHEMBL408518)
Show SMILES OC[C@H]1O[C@@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation

Antimicrob Agents Chemother 51: 2028-34 (2007)


Article DOI: 10.1128/AAC.01284-06
BindingDB Entry DOI: 10.7270/Q2RN38R9
More data for this
Ligand-Target Pair
Thymidine kinase


(Macacine 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 3.50E+3n/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation

Antimicrob Agents Chemother 51: 2028-34 (2007)


Article DOI: 10.1128/AAC.01284-06
BindingDB Entry DOI: 10.7270/Q2RN38R9
More data for this
Ligand-Target Pair
Thymidine kinase


(Macacine herpesvirus 1)		BDBM1
PNG
(dT | thymidine)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3,11H,1-2H3,(H2,7,13)/b10-6+
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n/an/a 4.10E+3n/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation

Antimicrob Agents Chemother 51: 2028-34 (2007)


Article DOI: 10.1128/AAC.01284-06
BindingDB Entry DOI: 10.7270/Q2RN38R9
More data for this
Ligand-Target Pair
Thymidine kinase


(Macacine herpesvirus 1)		BDBM50375778
PNG
(CHEMBL221982)
Show SMILES CCCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H18N2O5/c1-2-3-7-5-14(12(18)13-11(7)17)10-4-8(16)9(6-15)19-10/h5,8-10,15-16H,2-4,6H2,1H3,(H,13,17,18)/t8-,9+,10+/m0/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation

Antimicrob Agents Chemother 51: 2028-34 (2007)


Article DOI: 10.1128/AAC.01284-06
BindingDB Entry DOI: 10.7270/Q2RN38R9
More data for this
Ligand-Target Pair
DNA primase


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50034961
PNG
(6-Chloro-N*4*-(3,4-dichloro-phenyl)-pyrimidine-2,4...)
Show SMILES Nc1nc(Cl)cc(Nc2ccc(Cl)c(Cl)c2)n1
Show InChI InChI=1S/C10H7Cl3N4/c11-6-2-1-5(3-7(6)12)15-9-4-8(13)16-10(14)17-9/h1-4H,(H3,14,15,16,17)
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n/an/a 8.70E+3n/an/an/an/an/an/a



Stanford University Medical School

Curated by ChEMBL


Assay Description
Inhibition against Primase by coupled primase-DNA polymerase-I assay with the two subunit recombinant HSV-1 helicase primase

J Med Chem 38: 1820-5 (1995)


BindingDB Entry DOI: 10.7270/Q29K4983
More data for this
Ligand-Target Pair
Thymidine kinase


(Macacine herpesvirus 1)		BDBM21866
PNG
(2-phenylamino-9-(4-hydroxybutyl)-6-oxopurine | 9-(...)
Show SMILES OCCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C15H17N5O2/c21-9-5-4-8-20-10-16-12-13(20)18-15(19-14(12)22)17-11-6-2-1-3-7-11/h1-3,6-7,10,21H,4-5,8-9H2,(H2,17,18,19,22)
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n/an/a 1.15E+4n/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation

Antimicrob Agents Chemother 51: 2028-34 (2007)


Article DOI: 10.1128/AAC.01284-06
BindingDB Entry DOI: 10.7270/Q2RN38R9
More data for this
Ligand-Target Pair
DNA primase


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50034955
PNG
(CHEMBL53605 | N*2*-(3,4-Dichloro-phenyl)-9H-purine...)
Show SMILES Nc1nc(Nc2ccc(Cl)c(Cl)c2)nc2nc[nH]c12
Show InChI InChI=1S/C11H8Cl2N6/c12-6-2-1-5(3-7(6)13)17-11-18-9(14)8-10(19-11)16-4-15-8/h1-4H,(H4,14,15,16,17,18,19)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Stanford University Medical School

Curated by ChEMBL


Assay Description
Inhibition against Primase by coupled primase-DNA polymerase-I assay with the two subunit recombinant HSV-1 helicase primase

J Med Chem 38: 1820-5 (1995)


BindingDB Entry DOI: 10.7270/Q29K4983
More data for this
Ligand-Target Pair
Thymidine kinase


(Macacine herpesvirus 1)		BDBM50375781
PNG
(CHEMBL261850)
Show SMILES OC[C@H]1O[C@@H](C[C@@H]1O)n1cc(C=CBr)c(=O)[nH]c1=O |w:12.13|
Show InChI InChI=1S/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/t7-,8+,9-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation

Antimicrob Agents Chemother 51: 2028-34 (2007)


Article DOI: 10.1128/AAC.01284-06
BindingDB Entry DOI: 10.7270/Q2RN38R9
More data for this
Ligand-Target Pair
Thymidine kinase


(Macacine herpesvirus 1)		BDBM50366681
PNG
(BRIVUDINE | BVDU | Bridic | Brivox | Brivudin | Br...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C=CBr)c(=O)[nH]c1=O |r,w:12.13|
Show InChI InChI=1S/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/t7-,8+,9+/m0/s1
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n/an/a 3.23E+4n/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation

Antimicrob Agents Chemother 51: 2028-34 (2007)


Article DOI: 10.1128/AAC.01284-06
BindingDB Entry DOI: 10.7270/Q2RN38R9
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))		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 4.60E+4n/an/an/an/an/an/a



Stanford University Medical School

Curated by ChEMBL


Assay Description
Inhibition against DNA polymerase by direct assay with activated DNA and 25 uM dNTPs lacking the expected competitor substrate

J Med Chem 38: 1820-5 (1995)


BindingDB Entry DOI: 10.7270/Q29K4983
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))		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 4.60E+4n/an/an/an/an/an/a



Stanford University Medical School

Curated by ChEMBL


Assay Description
Inhibition against DNA polymerase by direct assay with activated DNA and 25 uM dNTPs lacking the expected competitor substrate

J Med Chem 38: 1820-5 (1995)


BindingDB Entry DOI: 10.7270/Q29K4983
More data for this
Ligand-Target Pair
Thymidine kinase


(Macacine herpesvirus 1)		BDBM50375779
PNG
(CHEMBL261325)
Show SMILES CCc1cn([C@@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9-/m0/s1
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n/an/a 5.20E+4n/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation

Antimicrob Agents Chemother 51: 2028-34 (2007)


Article DOI: 10.1128/AAC.01284-06
BindingDB Entry DOI: 10.7270/Q2RN38R9
More data for this
Ligand-Target Pair
DNA primase


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		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 5.90E+4n/an/an/an/an/an/a



Stanford University Medical School

Curated by ChEMBL


Assay Description
Inhibition against Primase by coupled primase-DNA polymerase-I assay with the two subunit recombinant HSV-1 helicase primase

J Med Chem 38: 1820-5 (1995)


BindingDB Entry DOI: 10.7270/Q29K4983
More data for this
Ligand-Target Pair
Thymidine kinase


(Macacine herpesvirus 1)		BDBM50210804
PNG
(2-Amino-9-(4-hydroxy-3-hydroxymethyl-butyl)-1,9-di...)
Show SMILES Nc1nc2n(CCC(CO)CO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18)
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n/an/a 8.44E+4n/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation

Antimicrob Agents Chemother 51: 2028-34 (2007)


Article DOI: 10.1128/AAC.01284-06
BindingDB Entry DOI: 10.7270/Q2RN38R9
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))		BDBM50034955
PNG
(CHEMBL53605 | N*2*-(3,4-Dichloro-phenyl)-9H-purine...)
Show SMILES Nc1nc(Nc2ccc(Cl)c(Cl)c2)nc2nc[nH]c12
Show InChI InChI=1S/C11H8Cl2N6/c12-6-2-1-5(3-7(6)13)17-11-18-9(14)8-10(19-11)16-4-15-8/h1-4H,(H4,14,15,16,17,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Stanford University Medical School

Curated by ChEMBL


Assay Description
Inhibition against coupled primase-DNA polymerase I assay

J Med Chem 38: 1820-5 (1995)


BindingDB Entry DOI: 10.7270/Q29K4983
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))		BDBM50034955
PNG
(CHEMBL53605 | N*2*-(3,4-Dichloro-phenyl)-9H-purine...)
Show SMILES Nc1nc(Nc2ccc(Cl)c(Cl)c2)nc2nc[nH]c12
Show InChI InChI=1S/C11H8Cl2N6/c12-6-2-1-5(3-7(6)13)17-11-18-9(14)8-10(19-11)16-4-15-8/h1-4H,(H4,14,15,16,17,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Stanford University Medical School

Curated by ChEMBL


Assay Description
Inhibition against coupled primase-DNA polymerase I assay

J Med Chem 38: 1820-5 (1995)


BindingDB Entry DOI: 10.7270/Q29K4983
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50021776
PNG
(2-Amino-9-(2-hydroxy-ethoxymethyl)-5,9-dihydro-pur...)
Show SMILES Nc1nc2n(COCCO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
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n/an/a 1.22E+5n/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Herpes simplex virus 1 recombinant thymidine kinase

Antimicrob Agents Chemother 51: 2028-34 (2007)


Article DOI: 10.1128/AAC.01284-06
BindingDB Entry DOI: 10.7270/Q2RN38R9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Thymidine kinase


(Macacine herpesvirus 1)		BDBM21868
PNG
(2-amino-9-(4-hydroxybutyl)-6,9-dihydro-3H-purin-6-...)
Show SMILES Nc1nc2n(CCCCO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C9H13N5O2/c10-9-12-7-6(8(16)13-9)11-5-14(7)3-1-2-4-15/h5,15H,1-4H2,(H3,10,12,13,16)
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n/an/a 1.77E+5n/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation

Antimicrob Agents Chemother 51: 2028-34 (2007)


Article DOI: 10.1128/AAC.01284-06
BindingDB Entry DOI: 10.7270/Q2RN38R9
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)		BDBM50021776
PNG
(2-Amino-9-(2-hydroxy-ethoxymethyl)-5,9-dihydro-pur...)
Show SMILES Nc1nc2n(COCCO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
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n/an/a 2.00E+5n/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Herpes simplex virus 2 recombinant thymidine kinase

Antimicrob Agents Chemother 51: 2028-34 (2007)


Article DOI: 10.1128/AAC.01284-06
BindingDB Entry DOI: 10.7270/Q2RN38R9
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50034961
PNG
(6-Chloro-N*4*-(3,4-dichloro-phenyl)-pyrimidine-2,4...)
Show SMILES Nc1nc(Cl)cc(Nc2ccc(Cl)c(Cl)c2)n1
Show InChI InChI=1S/C10H7Cl3N4/c11-6-2-1-5(3-7(6)12)15-9-4-8(13)16-10(14)17-9/h1-4H,(H3,14,15,16,17)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Stanford University Medical School

Curated by ChEMBL


Assay Description
Inhibition against DNA topoisomerase I by direct assay with activated DNA and 25 uM dNTPs including [3H]-dTTP

J Med Chem 38: 1820-5 (1995)


BindingDB Entry DOI: 10.7270/Q29K4983
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50034955
PNG
(CHEMBL53605 | N*2*-(3,4-Dichloro-phenyl)-9H-purine...)
Show SMILES Nc1nc(Nc2ccc(Cl)c(Cl)c2)nc2nc[nH]c12
Show InChI InChI=1S/C11H8Cl2N6/c12-6-2-1-5(3-7(6)13)17-11-18-9(14)8-10(19-11)16-4-15-8/h1-4H,(H4,14,15,16,17,18,19)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Stanford University Medical School

Curated by ChEMBL


Assay Description
Inhibition against DNA topoisomerase I by direct assay with activated DNA and 25 uM dNTPs including [3H]-dTTP

J Med Chem 38: 1820-5 (1995)


BindingDB Entry DOI: 10.7270/Q29K4983
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		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>2.00E+5n/an/an/an/an/an/a



Stanford University Medical School

Curated by ChEMBL


Assay Description
Inhibition against DNA topoisomerase I by direct assay with activated DNA and 25 uM dNTPs including [3H]-dTTP

J Med Chem 38: 1820-5 (1995)


BindingDB Entry DOI: 10.7270/Q29K4983
More data for this
Ligand-Target Pair
Thymidine kinase


(Macacine herpesvirus 1)		BDBM85707
PNG
(CAS_82410-32-0 | DHPG | NSC_3454)
Show SMILES Nc1nc2n(COC(CO)CO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)
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n/an/a 8.00E+5n/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation

Antimicrob Agents Chemother 51: 2028-34 (2007)


Article DOI: 10.1128/AAC.01284-06
BindingDB Entry DOI: 10.7270/Q2RN38R9
More data for this
Ligand-Target Pair
Thymidine kinase


(Macacine herpesvirus 1)		BDBM31915
PNG
(CDV | Cidofovir | HPMPC | US10071110, Compound Cid...)
Show SMILES Nc1ccn(C[C@@H](CO)OCP(O)(O)=O)c(=O)n1 |r|
Show InChI InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1
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n/an/a 9.00E+5n/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation

Antimicrob Agents Chemother 51: 2028-34 (2007)


Article DOI: 10.1128/AAC.01284-06
BindingDB Entry DOI: 10.7270/Q2RN38R9
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))		BDBM50034961
PNG
(6-Chloro-N*4*-(3,4-dichloro-phenyl)-pyrimidine-2,4...)
Show SMILES Nc1nc(Cl)cc(Nc2ccc(Cl)c(Cl)c2)n1
Show InChI InChI=1S/C10H7Cl3N4/c11-6-2-1-5(3-7(6)12)15-9-4-8(13)16-10(14)17-9/h1-4H,(H3,14,15,16,17)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Stanford University Medical School

Curated by ChEMBL


Assay Description
Inhibition against DNA polymerase by direct assay with activated DNA and 25 uM dNTPs lacking the expected competitor substrate

J Med Chem 38: 1820-5 (1995)


BindingDB Entry DOI: 10.7270/Q29K4983
More data for this
Ligand-Target Pair
Thymidine kinase


(Macacine herpesvirus 1)		BDBM50021776
PNG
(2-Amino-9-(2-hydroxy-ethoxymethyl)-5,9-dihydro-pur...)
Show SMILES Nc1nc2n(COCCO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
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n/an/a 1.00E+6n/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation

Antimicrob Agents Chemother 51: 2028-34 (2007)


Article DOI: 10.1128/AAC.01284-06
BindingDB Entry DOI: 10.7270/Q2RN38R9
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))		BDBM50034961
PNG
(6-Chloro-N*4*-(3,4-dichloro-phenyl)-pyrimidine-2,4...)
Show SMILES Nc1nc(Cl)cc(Nc2ccc(Cl)c(Cl)c2)n1
Show InChI InChI=1S/C10H7Cl3N4/c11-6-2-1-5(3-7(6)12)15-9-4-8(13)16-10(14)17-9/h1-4H,(H3,14,15,16,17)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Stanford University Medical School

Curated by ChEMBL


Assay Description
Inhibition against DNA polymerase by direct assay with activated DNA and 25 uM dNTPs lacking the expected competitor substrate

J Med Chem 38: 1820-5 (1995)


BindingDB Entry DOI: 10.7270/Q29K4983
More data for this
Ligand-Target Pair