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Compile Data Set for Download or QSAR

Found 13 hits of ec50 for UniProtKB: P06479   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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...)
BDBM50123605
PNG
(CHEMBL3143935)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2C1=NC(Nc1ccccc1)=NC2=O
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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n/an/an/an/a 300n/an/an/an/a



Istituto di Genetica Biochimica ed Evoluzionistica

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MCC binding to rat brain membranes


J Med Chem 31: 1496-500 (1988)


Article DOI: 10.1021/jm00403a004
BindingDB Entry DOI: 10.7270/Q2930TR7
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50123607
PNG
(CHEMBL3143943)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=NC2C1=NC(Nc1ccccc1)=NC2=O
Show InChI InChI=1S/C16H18N5O7P/c22-10-6-12(28-11(10)7-27-29(24,25)26)21-8-17-13-14(21)19-16(20-15(13)23)18-9-4-2-1-3-5-9/h1-5,8,10-13,22H,6-7H2,(H,18,20,23)(H2,24,25,26)/t10-,11+,12+,13?/m0/s1
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n/an/an/an/a 3.00E+3n/an/an/an/a



Istituto di Genetica Biochimica ed Evoluzionistica

Curated by ChEMBL


Assay Description
inhibition of (-)-[3H]-nicotine binding to torpedo electroplax membranes


J Med Chem 31: 1496-500 (1988)


Article DOI: 10.1021/jm00403a004
BindingDB Entry DOI: 10.7270/Q2930TR7
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/an/an/a 3.00E+3n/an/an/an/a



Istituto di Genetica Biochimica ed Evoluzionistica

Curated by ChEMBL


Assay Description
Inhibitory activity against Herpes simplex virus type-I specific thymidine kinase


J Med Chem 31: 1496-500 (1988)


Article DOI: 10.1021/jm00403a004
BindingDB Entry DOI: 10.7270/Q2930TR7
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50013093
PNG
(2-(3-Ethyl-4-methyl-phenylamino)-1,9-dihydro-purin...)
Show SMILES CCc1cc(Nc2nc3nc[nH]c3c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C14H15N5O/c1-3-9-6-10(5-4-8(9)2)17-14-18-12-11(13(20)19-14)15-7-16-12/h4-7H,3H2,1-2H3,(H3,15,16,17,18,19,20)
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n/an/an/an/a 7.00E+3n/an/an/an/a



Istituto di Genetica Biochimica ed Evoluzionistica

Curated by ChEMBL


Assay Description
Inhibition of (-)-[3H]-nicotine binding to rat brain membranes


J Med Chem 31: 1496-500 (1988)


Article DOI: 10.1021/jm00403a004
BindingDB Entry DOI: 10.7270/Q2930TR7
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/an/an/a 8.00E+3n/an/an/an/a



Istituto di Genetica Biochimica ed Evoluzionistica

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MCC binding to torpedo electroplax membranes


J Med Chem 31: 1496-500 (1988)


Article DOI: 10.1021/jm00403a004
BindingDB Entry DOI: 10.7270/Q2930TR7
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50013075
PNG
(2-(Indan-5-ylamino)-1,9-dihydro-purin-6-one | CHEM...)
Show SMILES O=c1[nH]c(Nc2ccc3CCCc3c2)nc2nc[nH]c12
Show InChI InChI=1S/C14H13N5O/c20-13-11-12(16-7-15-11)18-14(19-13)17-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H3,15,16,17,18,19,20)
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n/an/an/an/a 1.50E+4n/an/an/an/a



Istituto di Genetica Biochimica ed Evoluzionistica

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MCC binding to torpedo electroplax membranes


J Med Chem 31: 1496-500 (1988)


Article DOI: 10.1021/jm00403a004
BindingDB Entry DOI: 10.7270/Q2930TR7
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50405103
PNG
(CHEMBL2115349)
Show SMILES CCCCc1ccc(Nc2nc3n(cnc3c(=O)[nH]2)[C@H]2C[C@H](O)[C@@H](CO)O2)cc1
Show InChI InChI=1S/C20H25N5O4/c1-2-3-4-12-5-7-13(8-6-12)22-20-23-18-17(19(28)24-20)21-11-25(18)16-9-14(27)15(10-26)29-16/h5-8,11,14-16,26-27H,2-4,9-10H2,1H3,(H2,22,23,24,28)/t14-,15+,16+/m0/s1
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n/an/an/an/a 2.50E+4n/an/an/an/a



Istituto di Genetica Biochimica ed Evoluzionistica

Curated by ChEMBL


Assay Description
Inhibitory activity against Herpes simplex virus type-I specific thymidine kinase


J Med Chem 31: 1496-500 (1988)


Article DOI: 10.1021/jm00403a004
BindingDB Entry DOI: 10.7270/Q2930TR7
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50367744
PNG
(CHEMBL603175)
Show SMILES Cc1ccc(Nc2nc3n(cnc3c(=O)[nH]2)C2O[C@@H](CO)[C@H](O)[C@@H]2O)cc1
Show InChI InChI=1S/C17H19N5O5/c1-8-2-4-9(5-3-8)19-17-20-14-11(15(26)21-17)18-7-22(14)16-13(25)12(24)10(6-23)27-16/h2-5,7,10,12-13,16,23-25H,6H2,1H3,(H2,19,20,21,26)/t10-,12-,13-,16?/m0/s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



Istituto di Genetica Biochimica ed Evoluzionistica

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MCC binding to rat brain membranes


J Med Chem 31: 1496-500 (1988)


Article DOI: 10.1021/jm00403a004
BindingDB Entry DOI: 10.7270/Q2930TR7
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50013095
PNG
(2-p-Tolylamino-1,9-dihydro-purin-6-one | CHEMBL368...)
Show SMILES Cc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1
Show InChI InChI=1S/C12H11N5O/c1-7-2-4-8(5-3-7)15-12-16-10-9(11(18)17-12)13-6-14-10/h2-6H,1H3,(H3,13,14,15,16,17,18)
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n/an/an/an/a 5.00E+4n/an/an/an/a



Istituto di Genetica Biochimica ed Evoluzionistica

Curated by ChEMBL


Assay Description
Inhibitory activity against Herpes simplex virus type-I specific thymidine kinase


J Med Chem 31: 1496-500 (1988)


Article DOI: 10.1021/jm00403a004
BindingDB Entry DOI: 10.7270/Q2930TR7
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50013074
PNG
(2-(4-Butyl-phenylamino)-1,9-dihydro-purin-6-one | ...)
Show SMILES CCCCc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1
Show InChI InChI=1S/C15H17N5O/c1-2-3-4-10-5-7-11(8-6-10)18-15-19-13-12(14(21)20-15)16-9-17-13/h5-9H,2-4H2,1H3,(H3,16,17,18,19,20,21)
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n/an/an/an/a 5.00E+4n/an/an/an/a



Istituto di Genetica Biochimica ed Evoluzionistica

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MCC binding to torpedo electroplax membranes


J Med Chem 31: 1496-500 (1988)


Article DOI: 10.1021/jm00403a004
BindingDB Entry DOI: 10.7270/Q2930TR7
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50405722
PNG
(CHEMBL2092762)
Show SMILES CCCCc1ccc(Nc2nc3n(cnc3c(=O)[nH]2)[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)cc1
Show InChI InChI=1S/C20H25N5O5/c1-2-3-4-11-5-7-12(8-6-11)22-20-23-17-14(18(29)24-20)21-10-25(17)19-16(28)15(27)13(9-26)30-19/h5-8,10,13,15-16,19,26-28H,2-4,9H2,1H3,(H2,22,23,24,29)/t13-,15-,16-,19-/m0/s1
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n/an/an/an/a 7.50E+4n/an/an/an/a



Istituto di Genetica Biochimica ed Evoluzionistica

Curated by ChEMBL


Assay Description
Inhibitory activity against Herpes simplex virus type-I specific thymidine kinase


J Med Chem 31: 1496-500 (1988)


Article DOI: 10.1021/jm00403a004
BindingDB Entry DOI: 10.7270/Q2930TR7
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50018915
PNG
(2-(4-Butyl-phenylamino)-9-(2-hydroxy-ethoxymethyl)...)
Show SMILES CCCCc1ccc(Nc2nc3n(COCCO)cnc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C18H23N5O3/c1-2-3-4-13-5-7-14(8-6-13)20-18-21-16-15(17(25)22-18)19-11-23(16)12-26-10-9-24/h5-8,11,24H,2-4,9-10,12H2,1H3,(H2,20,21,22,25)
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n/an/an/an/a 1.40E+5n/an/an/an/a



Istituto di Genetica Biochimica ed Evoluzionistica

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MCC binding to torpedo electroplax membranes


J Med Chem 31: 1496-500 (1988)


Article DOI: 10.1021/jm00403a004
BindingDB Entry DOI: 10.7270/Q2930TR7
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50123606
PNG
(CHEMBL3143941)
Show SMILES CCCCc1ccc(NC2=NC(=O)C3N=CN([C@H]4C[C@H](O)[C@@H](COP(O)(O)=O)O4)C3=N2)cc1
Show InChI InChI=1S/C20H26N5O7P/c1-2-3-4-12-5-7-13(8-6-12)22-20-23-18-17(19(27)24-20)21-11-25(18)16-9-14(26)15(32-16)10-31-33(28,29)30/h5-8,11,14-17,26H,2-4,9-10H2,1H3,(H,22,24,27)(H2,28,29,30)/t14-,15+,16+,17?/m0/s1
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n/an/an/an/a 4.00E+5n/an/an/an/a



Istituto di Genetica Biochimica ed Evoluzionistica

Curated by ChEMBL


Assay Description
inhibition of (-)-[3H]-nicotine binding to torpedo electroplax membranes


J Med Chem 31: 1496-500 (1988)


Article DOI: 10.1021/jm00403a004
BindingDB Entry DOI: 10.7270/Q2930TR7
More data for this
Ligand-Target Pair