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Compile Data Set for Download or QSAR

Found 290 hits Enz. Inhib. hit(s) with all data for entry = 50003518   
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...)
BDBM50472274
PNG
(CHEMBL62595)
Show SMILES CC(C)CCCCCOP(=O)(COCCn1cnc2c(Cl)nc(N)nc12)OCCCCCC(C)C
Show InChI InChI=1S/C24H43ClN5O4P/c1-19(2)11-7-5-9-14-33-35(31,34-15-10-6-8-12-20(3)4)18-32-16-13-30-17-27-21-22(25)28-24(26)29-23(21)30/h17,19-20H,5-16,18H2,1-4H3,(H2,26,28,29)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of herpes simplex virus type 1 thymidine kinase (HSV-1 TK-) B2006 strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50472225
PNG
(CHEMBL65650)
Show SMILES Nc1cccc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C10H14N3O4P/c11-8-2-1-3-9-10(8)12-6-13(9)4-5-17-7-18(14,15)16/h1-3,6H,4-5,7,11H2,(H2,14,15,16)
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n/an/an/an/a>1.47E+6n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex virus type 1 (HSV-1) thymidine kinase (TK) VMW 1837 strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472271
PNG
(1-(Phosphonomethoxyethyl)-Cytosine | CHEMBL418216)
Show SMILES Nc1ccn(CCOCP(O)(O)=O)c(=O)n1
Show InChI InChI=1S/C7H12N3O5P/c8-6-1-2-10(7(11)9-6)3-4-15-5-16(12,13)14/h1-2H,3-5H2,(H2,8,9,11)(H2,12,13,14)
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n/an/an/an/a 6.02E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of varicella zoster virus thymidine kinase (VZV TK+) YS/R strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472224
PNG
(CHEMBL303767)
Show SMILES CC(C)OP(=O)(COCCn1cnc2c(N)nc(N)nc12)OC(C)C
Show InChI InChI=1S/C14H25N6O4P/c1-9(2)23-25(21,24-10(3)4)8-22-6-5-20-7-17-11-12(15)18-14(16)19-13(11)20/h7,9-10H,5-6,8H2,1-4H3,(H4,15,16,18,19)
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n/an/an/an/a>1.34E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) OKA strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50472230
PNG
(CHEMBL66354)
Show SMILES Nc1nc(O)nc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C8H12N5O5P/c9-6-5-7(12-8(14)11-6)13(3-10-5)1-2-18-4-19(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14)
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n/an/an/an/a>1.38E+6n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of herpes simplex virus type 1 thymidine kinase (HSV-1 TK-) B2006 strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472269
PNG
(CHEMBL293418)
Show SMILES CC(C)CCCCCOP(=O)(COCCn1cnc2c(N)nc(N)nc12)OCCCCCC(C)C
Show InChI InChI=1S/C24H45N6O4P/c1-19(2)11-7-5-9-14-33-35(31,34-15-10-6-8-12-20(3)4)18-32-16-13-30-17-27-21-22(25)28-24(26)29-23(21)30/h17,19-20H,5-16,18H2,1-4H3,(H4,25,26,28,29)
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n/an/an/an/a 6.24E+3n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) YS strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472225
PNG
(CHEMBL65650)
Show SMILES Nc1cccc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C10H14N3O4P/c11-8-2-1-3-9-10(8)12-6-13(9)4-5-17-7-18(14,15)16/h1-3,6H,4-5,7,11H2,(H2,14,15,16)
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n/an/an/an/a>1.84E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK-) 07/1 strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50472234
PNG
(CHEMBL65163)
Show SMILES CC(C)OP(=O)(COCCn1c(Br)nc2c(N)nc(N)nc12)OC(C)C
Show InChI InChI=1S/C14H24BrN6O4P/c1-8(2)24-26(22,25-9(3)4)7-23-6-5-21-12-10(18-13(21)15)11(16)19-14(17)20-12/h8-9H,5-7H2,1-4H3,(H4,16,17,19,20)
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n/an/an/an/a>8.86E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of herpes simplex virus type 1 thymidine kinase (HSV-1 TK-) B2006 strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472254
PNG
(CHEMBL63930)
Show SMILES CC(C)OP(=O)(COCCn1cnc2c(O)nc(N)nc12)OC(C)C
Show InChI InChI=1S/C14H24N5O5P/c1-9(2)23-25(21,24-10(3)4)8-22-6-5-19-7-16-11-12(19)17-14(15)18-13(11)20/h7,9-10H,5-6,8H2,1-4H3,(H3,15,17,18,20)
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n/an/an/an/a 4.55E+4n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of varicella zoster virus thymidine kinase (VZV TK+) YS/R strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472253
PNG
(CHEMBL62367)
Show SMILES CC(C)OP(O)(=O)COCCn1cnc2c(O)nc(N)nc12
Show InChI InChI=1S/C11H18N5O5P/c1-7(2)21-22(18,19)6-20-4-3-16-5-13-8-9(16)14-11(12)15-10(8)17/h5,7H,3-4,6H2,1-2H3,(H,18,19)(H3,12,14,15,17)
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n/an/an/an/a 30.2n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) YS strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472275
PNG
(CHEMBL65412)
Show SMILES Nc1nccc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C9H13N4O4P/c10-9-8-7(1-2-11-9)13(5-12-8)3-4-17-6-18(14,15)16/h1-2,5H,3-4,6H2,(H2,10,11)(H2,14,15,16)
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n/an/an/an/a 1.83E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) OKA strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472261
PNG
(CHEMBL64016)
Show SMILES OP(O)(=O)COCCn1cnc2c(S)ncnc12
Show InChI InChI=1S/C8H11N4O4PS/c13-17(14,15)5-16-2-1-12-4-11-6-7(12)9-3-10-8(6)18/h3-4H,1-2,5H2,(H,9,10,18)(H2,13,14,15)
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n/an/an/an/a>1.72E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) YS strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472269
PNG
(CHEMBL293418)
Show SMILES CC(C)CCCCCOP(=O)(COCCn1cnc2c(N)nc(N)nc12)OCCCCCC(C)C
Show InChI InChI=1S/C24H45N6O4P/c1-19(2)11-7-5-9-14-33-35(31,34-15-10-6-8-12-20(3)4)18-32-16-13-30-17-27-21-22(25)28-24(26)29-23(21)30/h17,19-20H,5-16,18H2,1-4H3,(H4,25,26,28,29)
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n/an/an/an/a>9.75E+3n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) OKA strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472236
PNG
(CHEMBL66091)
Show SMILES Nc1nc(=O)ccn1CCOCP(O)(O)=O
Show InChI InChI=1S/C7H12N3O5P/c8-7-9-6(11)1-2-10(7)3-4-15-5-16(12,13)14/h1-2H,3-5H2,(H2,8,9,11)(H2,12,13,14)
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n/an/an/an/a>4.01E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK-) 07/1 strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472276
PNG
(CHEMBL66090)
Show SMILES Nc1ccn(CCOCP(O)(O)=O)c(=O)c1
Show InChI InChI=1S/C8H13N2O5P/c9-7-1-2-10(8(11)5-7)3-4-15-6-16(12,13)14/h1-2,5H,3-4,6,9H2,(H2,12,13,14)
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n/an/an/an/a>4.02E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) OKA strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472276
PNG
(CHEMBL66090)
Show SMILES Nc1ccn(CCOCP(O)(O)=O)c(=O)c1
Show InChI InChI=1S/C8H13N2O5P/c9-7-1-2-10(8(11)5-7)3-4-15-6-16(12,13)14/h1-2,5H,3-4,6,9H2,(H2,12,13,14)
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n/an/an/an/a 3.46E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of varicella zoster virus thymidine kinase (VZV TK+) YS/R strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472266
PNG
(CHEMBL62984)
Show SMILES Cc1nc(N)nc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C9H14N5O4P/c1-6-7-8(13-9(10)12-6)14(4-11-7)2-3-18-5-19(15,16)17/h4H,2-3,5H2,1H3,(H2,10,12,13)(H2,15,16,17)
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n/an/an/an/a>1.74E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK-) 07/1 strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50472238
PNG
(CHEMBL65741)
Show SMILES CC(C)OP(=O)(COCCn1cnc2c(S)ncnc12)OC(C)C
Show InChI InChI=1S/C14H23N4O4PS/c1-10(2)21-23(19,22-11(3)4)9-20-6-5-18-8-17-12-13(18)15-7-16-14(12)24/h7-8,10-11H,5-6,9H2,1-4H3,(H,15,16,24)
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n/an/an/an/a>1.06E+6n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of herpes simplex virus type 1 thymidine kinase (HSV-1 TK-) B2006 strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472254
PNG
(CHEMBL63930)
Show SMILES CC(C)OP(=O)(COCCn1cnc2c(O)nc(N)nc12)OC(C)C
Show InChI InChI=1S/C14H24N5O5P/c1-9(2)23-25(21,24-10(3)4)8-22-6-5-19-7-16-11-12(19)17-14(15)18-13(11)20/h7,9-10H,5-6,8H2,1-4H3,(H3,15,17,18,20)
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n/an/an/an/a 8.30E+4n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK-) 07/1 strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472240
PNG
(CHEMBL293466)
Show SMILES Nc1nc(Cl)c2ncn(CCOCP(O)(O)=O)c2n1
Show InChI InChI=1S/C8H11ClN5O4P/c9-6-5-7(13-8(10)12-6)14(3-11-5)1-2-18-4-19(15,16)17/h3H,1-2,4H2,(H2,10,12,13)(H2,15,16,17)
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n/an/an/an/a 227n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) YS strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472241
PNG
(CHEMBL65393)
Show SMILES Nc1cc2n(CCOCP(O)(O)=O)cnc2c(N)n1
Show InChI InChI=1S/C9H14N5O4P/c10-7-3-6-8(9(11)13-7)12-4-14(6)1-2-18-5-19(15,16)17/h3-4H,1-2,5H2,(H4,10,11,13)(H2,15,16,17)
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n/an/an/an/a>1.74E+4n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) YS strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472264
PNG
(CHEMBL553565)
Show SMILES CC(C)OP(=O)(COCCn1cnc2c(Cl)nc(N)nc12)OC(C)C
Show InChI InChI=1S/C14H23ClN5O4P/c1-9(2)23-25(21,24-10(3)4)8-22-6-5-20-7-17-11-12(15)18-14(16)19-13(11)20/h7,9-10H,5-6,8H2,1-4H3,(H2,16,18,19)
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n/an/an/an/a 2.55E+4n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) YS strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50472265
PNG
(CHEMBL293049)
Show SMILES Nc1nc(O)c2nc(Br)n(CCOCP(O)(O)=O)c2n1
Show InChI InChI=1S/C8H11BrN5O5P/c9-7-11-4-5(12-8(10)13-6(4)15)14(7)1-2-19-3-20(16,17)18/h1-3H2,(H2,16,17,18)(H3,10,12,13,15)
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n/an/an/an/a 1.30E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex virus type 1 (HSV-1) thymidine kinase (TK) VMW 1837 strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472275
PNG
(CHEMBL65412)
Show SMILES Nc1nccc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C9H13N4O4P/c10-9-8-7(1-2-11-9)13(5-12-8)3-4-17-6-18(14,15)16/h1-2,5H,3-4,6H2,(H2,10,11)(H2,14,15,16)
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n/an/an/an/a 1.46E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of varicella zoster virus thymidine kinase (VZV TK+) YS/R strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50472269
PNG
(CHEMBL293418)
Show SMILES CC(C)CCCCCOP(=O)(COCCn1cnc2c(N)nc(N)nc12)OCCCCCC(C)C
Show InChI InChI=1S/C24H45N6O4P/c1-19(2)11-7-5-9-14-33-35(31,34-15-10-6-8-12-20(3)4)18-32-16-13-30-17-27-21-22(25)28-24(26)29-23(21)30/h17,19-20H,5-16,18H2,1-4H3,(H4,25,26,28,29)
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n/an/an/an/a>3.12E+4n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of herpes simplex virus type 1 thymidine kinase (HSV-1 TK-) B2006 strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50472243
PNG
(CHEMBL64241)
Show SMILES CCOP(O)(=O)COCCn1cnc2c(N)nc(N)nc12
Show InChI InChI=1S/C10H17N6O4P/c1-2-20-21(17,18)6-19-4-3-16-5-13-7-8(11)14-10(12)15-9(7)16/h5H,2-4,6H2,1H3,(H,17,18)(H4,11,12,14,15)
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n/an/an/an/a 4.74E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex virus type 1 (HSV-1) thymidine kinase (TK) VMW 1837 strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472252
PNG
(CHEMBL65278)
Show SMILES Nc1cc2n(CCOCP(O)(O)=O)cnc2c(O)n1
Show InChI InChI=1S/C9H13N4O5P/c10-7-3-6-8(9(14)12-7)11-4-13(6)1-2-18-5-19(15,16)17/h3-4H,1-2,5H2,(H3,10,12,14)(H2,15,16,17)
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n/an/an/an/a 1.76E+3n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of varicella zoster virus thymidine kinase (VZV TK+) YS/R strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50472270
PNG
(CHEMBL294794)
Show SMILES CC(C)OP(=O)(COCCn1c(Br)nc2c(O)nc(N)nc12)OC(C)C
Show InChI InChI=1S/C14H23BrN5O5P/c1-8(2)24-26(22,25-9(3)4)7-23-6-5-20-11-10(17-13(20)15)12(21)19-14(16)18-11/h8-9H,5-7H2,1-4H3,(H3,16,18,19,21)
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n/an/an/an/a 5.30E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex virus type 1 (HSV-1) thymidine kinase (TK) VMW 1837 strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472252
PNG
(CHEMBL65278)
Show SMILES Nc1cc2n(CCOCP(O)(O)=O)cnc2c(O)n1
Show InChI InChI=1S/C9H13N4O5P/c10-7-3-6-8(9(14)12-7)11-4-13(6)1-2-18-5-19(15,16)17/h3-4H,1-2,5H2,(H3,10,12,14)(H2,15,16,17)
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n/an/an/an/a 2.56E+3n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) OKA strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472246
PNG
(CHEMBL63670)
Show SMILES CC(C)OP(=O)(COCCn1ncc(N)nc1=O)OC(C)C
Show InChI InChI=1S/C12H23N4O5P/c1-9(2)20-22(18,21-10(3)4)8-19-6-5-16-12(17)15-11(13)7-14-16/h7,9-10H,5-6,8H2,1-4H3,(H2,13,15,17)
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n/an/an/an/a 2.90E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) YS strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472234
PNG
(CHEMBL65163)
Show SMILES CC(C)OP(=O)(COCCn1c(Br)nc2c(N)nc(N)nc12)OC(C)C
Show InChI InChI=1S/C14H24BrN6O4P/c1-8(2)24-26(22,25-9(3)4)7-23-6-5-21-12-10(18-13(21)15)11(16)19-14(17)20-12/h8-9H,5-7H2,1-4H3,(H4,16,17,19,20)
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n/an/an/an/a 5.76E+4n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) OKA strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472234
PNG
(CHEMBL65163)
Show SMILES CC(C)OP(=O)(COCCn1c(Br)nc2c(N)nc(N)nc12)OC(C)C
Show InChI InChI=1S/C14H24BrN6O4P/c1-8(2)24-26(22,25-9(3)4)7-23-6-5-21-12-10(18-13(21)15)11(16)19-14(17)20-12/h8-9H,5-7H2,1-4H3,(H4,16,17,19,20)
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n/an/an/an/a>1.10E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of varicella zoster virus thymidine kinase (VZV TK+) YS/R strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472265
PNG
(CHEMBL293049)
Show SMILES Nc1nc(O)c2nc(Br)n(CCOCP(O)(O)=O)c2n1
Show InChI InChI=1S/C8H11BrN5O5P/c9-7-11-4-5(12-8(10)13-6(4)15)14(7)1-2-19-3-20(16,17)18/h1-3H2,(H2,16,17,18)(H3,10,12,13,15)
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n/an/an/an/a 4.89E+4n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) YS strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472266
PNG
(CHEMBL62984)
Show SMILES Cc1nc(N)nc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C9H14N5O4P/c1-6-7-8(13-9(10)12-6)14(4-11-7)2-3-18-5-19(15,16)17/h4H,2-3,5H2,1H3,(H2,10,12,13)(H2,15,16,17)
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n/an/an/an/a>1.74E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) YS strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50472249
PNG
(CHEMBL63156)
Show SMILES Nc1nc(O)c2n(CCOCP(O)(O)=O)cnc2n1
Show InChI InChI=1S/C8H12N5O5P/c9-8-11-6-5(7(14)12-8)13(3-10-6)1-2-18-4-19(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14)
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n/an/an/an/a>6.91E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of herpes simplex virus type 1 thymidine kinase (HSV-1 TK-) B2006 strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472263
PNG
(CHEMBL65808)
Show SMILES CC(C)CCCCCOP(=O)(COCCn1cnc2nc(N)nc(Cl)c12)OCCCCCC(C)C
Show InChI InChI=1S/C24H43ClN5O4P/c1-19(2)11-7-5-9-14-33-35(31,34-15-10-6-8-12-20(3)4)18-32-16-13-30-17-27-23-21(30)22(25)28-24(26)29-23/h17,19-20H,5-16,18H2,1-4H3,(H2,26,28,29)
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n/an/an/an/a>9.39E+3n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) OKA strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472248
PNG
(CHEMBL297727)
Show SMILES CC(C)OP(=O)(COCCn1cnc2c(N)ncnc12)OC(C)C
Show InChI InChI=1S/C14H24N5O4P/c1-10(2)22-24(20,23-11(3)4)9-21-6-5-19-8-18-12-13(15)16-7-17-14(12)19/h7-8,10-11H,5-6,9H2,1-4H3,(H2,15,16,17)
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n/an/an/an/a 5.59E+4n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK-) 07/1 strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472225
PNG
(CHEMBL65650)
Show SMILES Nc1cccc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C10H14N3O4P/c11-8-2-1-3-9-10(8)12-6-13(9)4-5-17-7-18(14,15)16/h1-3,6H,4-5,7,11H2,(H2,14,15,16)
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n/an/an/an/a>1.84E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of varicella zoster virus thymidine kinase (VZV TK+) YS/R strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472251
PNG
(CHEMBL302191)
Show SMILES CC(C)OP(O)(=O)COCCn1cnc2c(N)nc(N)nc12
Show InChI InChI=1S/C11H19N6O4P/c1-7(2)21-22(18,19)6-20-4-3-17-5-14-8-9(12)15-11(13)16-10(8)17/h5,7H,3-4,6H2,1-2H3,(H,18,19)(H4,12,13,15,16)
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n/an/an/an/a>1.51E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK-) 07/1 strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472228
PNG
(CHEMBL416860)
Show SMILES Nc1ncc2ncn(CCOCP(O)(O)=O)c2n1
Show InChI InChI=1S/C8H12N5O4P/c9-8-10-3-6-7(12-8)13(4-11-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,12)(H2,14,15,16)
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n/an/an/an/a 2.19E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) OKA strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472271
PNG
(1-(Phosphonomethoxyethyl)-Cytosine | CHEMBL418216)
Show SMILES Nc1ccn(CCOCP(O)(O)=O)c(=O)n1
Show InChI InChI=1S/C7H12N3O5P/c8-6-1-2-10(7(11)9-6)3-4-15-5-16(12,13)14/h1-2H,3-5H2,(H2,8,9,11)(H2,12,13,14)
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n/an/an/an/a 1.60E+6n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) YS strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50472274
PNG
(CHEMBL62595)
Show SMILES CC(C)CCCCCOP(=O)(COCCn1cnc2c(Cl)nc(N)nc12)OCCCCCC(C)C
Show InChI InChI=1S/C24H43ClN5O4P/c1-19(2)11-7-5-9-14-33-35(31,34-15-10-6-8-12-20(3)4)18-32-16-13-30-17-27-21-22(25)28-24(26)29-23(21)30/h17,19-20H,5-16,18H2,1-4H3,(H2,26,28,29)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex virus type 1 (HSV-1) thymidine kinase (TK) VMW 1837 strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472235
PNG
(PMEDAP)
Show SMILES Nc1nc(N)c2ncn(CCOCP(O)(O)=O)c2n1
Show InChI InChI=1S/C8H13N6O4P/c9-6-5-7(13-8(10)12-6)14(3-11-5)1-2-18-4-19(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H4,9,10,12,13)
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n/an/an/an/a 3.46E+3n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) OKA strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472240
PNG
(CHEMBL293466)
Show SMILES Nc1nc(Cl)c2ncn(CCOCP(O)(O)=O)c2n1
Show InChI InChI=1S/C8H11ClN5O4P/c9-6-5-7(13-8(10)12-6)14(3-11-5)1-2-18-4-19(15,16)17/h3H,1-2,4H2,(H2,10,12,13)(H2,15,16,17)
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n/an/an/an/a 65n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of varicella zoster virus thymidine kinase (VZV TK+) YS/R strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472256
PNG
(CHEMBL294504)
Show SMILES CC(C)CCCCCOP(=O)(COCCn1cnc2nc(N)nc(O)c12)OCCCCCC(C)C
Show InChI InChI=1S/C24H44N5O5P/c1-19(2)11-7-5-9-14-33-35(31,34-15-10-6-8-12-20(3)4)18-32-16-13-29-17-26-22-21(29)23(30)28-24(25)27-22/h17,19-20H,5-16,18H2,1-4H3,(H3,25,27,28,30)
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n/an/an/an/a 3.89E+4n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of varicella zoster virus thymidine kinase (VZV TK+) YS/R strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50472229
PNG
(CHEMBL63849)
Show SMILES Nc1nc(=O)n(CCOCP(O)(O)=O)cc1Br
Show InChI InChI=1S/C7H11BrN3O5P/c8-5-3-11(7(12)10-6(5)9)1-2-16-4-17(13,14)15/h3H,1-2,4H2,(H2,9,10,12)(H2,13,14,15)
PDB

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n/an/an/an/a 9.14E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of herpes simplex virus type 1 thymidine kinase (HSV-1 TK-) B2006 strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50472241
PNG
(CHEMBL65393)
Show SMILES Nc1cc2n(CCOCP(O)(O)=O)cnc2c(N)n1
Show InChI InChI=1S/C9H14N5O4P/c10-7-3-6-8(9(11)13-7)12-4-14(6)1-2-18-5-19(15,16)17/h3-4H,1-2,5H2,(H4,10,11,13)(H2,15,16,17)
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n/an/an/an/a 2.43E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex virus type 1 (HSV-1) thymidine kinase (TK) VMW 1837 strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472270
PNG
(CHEMBL294794)
Show SMILES CC(C)OP(=O)(COCCn1c(Br)nc2c(O)nc(N)nc12)OC(C)C
Show InChI InChI=1S/C14H23BrN5O5P/c1-8(2)24-26(22,25-9(3)4)7-23-6-5-20-11-10(17-13(20)15)12(21)19-14(16)18-11/h8-9H,5-7H2,1-4H3,(H3,16,18,19,21)
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n/an/an/an/a>1.10E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) YS strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472246
PNG
(CHEMBL63670)
Show SMILES CC(C)OP(=O)(COCCn1ncc(N)nc1=O)OC(C)C
Show InChI InChI=1S/C12H23N4O5P/c1-9(2)20-22(18,21-10(3)4)8-19-6-5-16-12(17)15-11(13)7-14-16/h7,9-10H,5-6,8H2,1-4H3,(H2,13,15,17)
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n/an/an/an/a 2.39E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK-) 07/1 strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472264
PNG
(CHEMBL553565)
Show SMILES CC(C)OP(=O)(COCCn1cnc2c(Cl)nc(N)nc12)OC(C)C
Show InChI InChI=1S/C14H23ClN5O4P/c1-9(2)23-25(21,24-10(3)4)8-22-6-5-20-7-17-11-12(15)18-14(16)19-13(11)20/h7,9-10H,5-6,8H2,1-4H3,(H2,16,18,19)
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n/an/an/an/a 3.31E+4n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) OKA strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
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