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Compile Data Set for Download or QSAR

Found 144 hits with Last Name = 'hildebrand' and Initial = 'c'   
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 2)
BDBM50210810
PNG
(2-(3-Trifluoromethyl-phenylamino)-1,9-dihydro-puri...)
Show SMILES FC(F)(F)c1cccc(Nc2nc3nc[nH]c3c(=O)[nH]2)c1
Show InChI InChI=1S/C12H8F3N5O/c13-12(14,15)6-2-1-3-7(4-6)18-11-19-9-8(10(21)20-11)16-5-17-9/h1-5H,(H3,16,17,18,19,20,21)
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n/an/a 100n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


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


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



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


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


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



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


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


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50013098
PNG
(2-(3-Chloro-phenylamino)-1,9-dihydro-purin-6-one |...)
Show SMILES Clc1cccc(Nc2nc3nc[nH]c3c(=O)[nH]2)c1
Show InChI InChI=1S/C11H8ClN5O/c12-6-2-1-3-7(4-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)
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n/an/a 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 2)
BDBM50229853
PNG
(CHEMBL406058)
Show SMILES Oc1[nH]c(Nc2cccc(c2)C#N)nc2ncnc12
Show InChI InChI=1S/C12H8N6O/c13-5-7-2-1-3-8(4-7)16-12-17-10-9(11(19)18-12)14-6-15-10/h1-4,6H,(H3,14,15,16,17,18,19)
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n/an/a 398n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


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


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50013086
PNG
(2-(4-Bromo-phenylamino)-1,9-dihydro-purin-6-one | ...)
Show SMILES Brc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1
Show InChI InChI=1S/C11H8BrN5O/c12-6-1-3-7(4-2-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)
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n/an/a 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 2)
BDBM50229850
PNG
(CHEMBL406300)
Show SMILES Oc1[nH]c(Nc2cccc(Br)c2)nc2ncnc12
Show InChI InChI=1S/C11H8BrN5O/c12-6-2-1-3-7(4-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)
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n/an/a 603n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


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


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



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


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


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



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


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


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



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


BindingDB Entry DOI: 10.7270/Q29G5Q2Q
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 (strain SC16) (HHV-1) (Human h...)
BDBM50013086
PNG
(2-(4-Bromo-phenylamino)-1,9-dihydro-purin-6-one | ...)
Show SMILES Brc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1
Show InChI InChI=1S/C11H8BrN5O/c12-6-1-3-7(4-2-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


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


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



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


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


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



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


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


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



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


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


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



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


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


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50013088
PNG
(2-(3,4-Dibromo-phenylamino)-1,9-dihydro-purin-6-on...)
Show SMILES Brc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1Br
Show InChI InChI=1S/C11H7Br2N5O/c12-6-2-1-5(3-7(6)13)16-11-17-9-8(10(19)18-11)14-4-15-9/h1-4H,(H3,14,15,16,17,18,19)
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n/an/a 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)
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 2)
BDBM50229862
PNG
(CHEMBL101020)
Show SMILES Oc1[nH]c(Nc2cccc(CCl)c2)nc2ncnc12
Show InChI InChI=1S/C12H10ClN5O/c13-5-7-2-1-3-8(4-7)16-12-17-10-9(11(19)18-12)14-6-15-10/h1-4,6H,5H2,(H3,14,15,16,17,18,19)
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n/an/a 1.35E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


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


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



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


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


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



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


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


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



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


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


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



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


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


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



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


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


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50013094
PNG
(2-Phenylamino-1,9-dihydro-purin-6-one | 2-Phenylam...)
Show SMILES O=c1[nH]c(Nc2ccccc2)nc2nc[nH]c12
Show InChI InChI=1S/C11H9N5O/c17-10-8-9(13-6-12-8)15-11(16-10)14-7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15,16,17)
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n/an/a 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 2)
BDBM50013096
PNG
(2-(3,4-Difluoro-phenylamino)-1,9-dihydro-purin-6-o...)
Show SMILES Fc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1F
Show InChI InChI=1S/C11H7F2N5O/c12-6-2-1-5(3-7(6)13)16-11-17-9-8(10(19)18-11)14-4-15-9/h1-4H,(H3,14,15,16,17,18,19)
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n/an/a 2.19E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


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


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50013096
PNG
(2-(3,4-Difluoro-phenylamino)-1,9-dihydro-purin-6-o...)
Show SMILES Fc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1F
Show InChI InChI=1S/C11H7F2N5O/c12-6-2-1-5(3-7(6)13)16-11-17-9-8(10(19)18-11)14-4-15-9/h1-4H,(H3,14,15,16,17,18,19)
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n/an/a 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 (strain SC16) (HHV-1) (Human h...)
BDBM50013099
PNG
(2-(3-Ethyl-phenylamino)-1,9-dihydro-purin-6-one | ...)
Show SMILES CCc1cccc(Nc2nc3nc[nH]c3c(=O)[nH]2)c1
Show InChI InChI=1S/C13H13N5O/c1-2-8-4-3-5-9(6-8)16-13-17-11-10(12(19)18-13)14-7-15-11/h3-7H,2H2,1H3,(H3,14,15,16,17,18,19)
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n/an/a 2.51E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


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


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



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


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


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



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


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


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50013085
PNG
(2-(3-Propyl-phenylamino)-1,9-dihydro-purin-6-one |...)
Show SMILES CCCc1cccc(Nc2nc3nc[nH]c3c(=O)[nH]2)c1
Show InChI InChI=1S/C14H15N5O/c1-2-4-9-5-3-6-10(7-9)17-14-18-12-11(13(20)19-14)15-8-16-12/h3,5-8H,2,4H2,1H3,(H3,15,16,17,18,19,20)
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n/an/a 3.00E+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)
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 2)
BDBM50013085
PNG
(2-(3-Propyl-phenylamino)-1,9-dihydro-purin-6-one |...)
Show SMILES CCCc1cccc(Nc2nc3nc[nH]c3c(=O)[nH]2)c1
Show InChI InChI=1S/C14H15N5O/c1-2-4-9-5-3-6-10(7-9)17-14-18-12-11(13(20)19-14)15-8-16-12/h3,5-8H,2,4H2,1H3,(H3,15,16,17,18,19,20)
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n/an/a 3.02E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


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


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



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


BindingDB Entry DOI: 10.7270/Q29G5Q2Q
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...)
BDBM50013085
PNG
(2-(3-Propyl-phenylamino)-1,9-dihydro-purin-6-one |...)
Show SMILES CCCc1cccc(Nc2nc3nc[nH]c3c(=O)[nH]2)c1
Show InChI InChI=1S/C14H15N5O/c1-2-4-9-5-3-6-10(7-9)17-14-18-12-11(13(20)19-14)15-8-16-12/h3,5-8H,2,4H2,1H3,(H3,15,16,17,18,19,20)
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n/an/a 3.31E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


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


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

UniProtKB/TrEMBL

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n/an/a 3.98E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


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


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50013099
PNG
(2-(3-Ethyl-phenylamino)-1,9-dihydro-purin-6-one | ...)
Show SMILES CCc1cccc(Nc2nc3nc[nH]c3c(=O)[nH]2)c1
Show InChI InChI=1S/C13H13N5O/c1-2-8-4-3-5-9(6-8)16-13-17-11-10(12(19)18-13)14-7-15-11/h3-7H,2H2,1H3,(H3,14,15,16,17,18,19)
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n/an/a 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...)
BDBM50229853
PNG
(CHEMBL406058)
Show SMILES Oc1[nH]c(Nc2cccc(c2)C#N)nc2ncnc12
Show InChI InChI=1S/C12H8N6O/c13-5-7-2-1-3-8(4-7)16-12-17-10-9(11(19)18-12)14-6-15-10/h1-4,6H,(H3,14,15,16,17,18,19)
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n/an/a 5.01E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


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


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

UniProtKB/TrEMBL

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n/an/a 5.01E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


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


J Med Chem 35: 2979-83 (1992)


BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
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