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PubMed code 11392548

Compile data set for download or QSAR
Found 59 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)		BDBM50366680
PNG
(CHEMBL605255)
Show SMILES OC[C@H]1OC([C@@H](O)[C@@H]1O)n1cc(C=CBr)c(=O)[nH]c1=O |r,w:13.14|
Show InChI InChI=1S/C11H13BrN2O6/c12-2-1-5-3-14(11(19)13-9(5)18)10-8(17)7(16)6(4-15)20-10/h1-3,6-8,10,15-17H,4H2,(H,13,18,19)/t6-,7-,8+,10?/m1/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Varicella- zoster virus thymidine kinase(VZV TK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50366680
PNG
(CHEMBL605255)
Show SMILES OC[C@H]1OC([C@@H](O)[C@@H]1O)n1cc(C=CBr)c(=O)[nH]c1=O |r,w:13.14|
Show InChI InChI=1S/C11H13BrN2O6/c12-2-1-5-3-14(11(19)13-9(5)18)10-8(17)7(16)6(4-15)20-10/h1-3,6-8,10,15-17H,4H2,(H,13,18,19)/t6-,7-,8+,10?/m1/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Herpes simplex virus type 1 thymidine kinase(HSV-1 TK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))		BDBM50100407
PNG
(CHEMBL238635 | Octanoic acid 2-[5-((E)-2-bromo-vin...)
Show SMILES CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(\C=C\Br)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C19H27BrN2O7/c1-2-3-4-5-6-7-14(24)29-16-15(25)13(11-23)28-18(16)22-10-12(8-9-20)17(26)21-19(22)27/h8-10,13,15-16,18,23,25H,2-7,11H2,1H3,(H,21,26,27)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitochondrial thymidine kinase (TK-2)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))		BDBM50100411
PNG
(CHEMBL400618 | Decanoic acid 2-[5-((E)-2-bromo-vin...)
Show SMILES CCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(\C=C\Br)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H31BrN2O7/c1-2-3-4-5-6-7-8-9-16(26)31-18-17(27)15(13-25)30-20(18)24-12-14(10-11-22)19(28)23-21(24)29/h10-12,15,17-18,20,25,27H,2-9,13H2,1H3,(H,23,28,29)
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n/an/a 6.80E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitochondrial thymidine kinase (TK-2)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)		BDBM50132291
PNG
(1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-t...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7+,9-/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Varicella- zoster virus thymidine kinase(VZV TK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50132291
PNG
(1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-t...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7+,9-/m1/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of Rhizopus chinensis pepsin using fluorescence assay

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))		BDBM50100412
PNG
(BDBM50206505 | CHEMBL392957 | Dodecanoic acid 4-hy...)
Show SMILES CCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C22H36N2O7/c1-3-4-5-6-7-8-9-10-11-12-17(26)31-19-18(27)16(14-25)30-21(19)24-13-15(2)20(28)23-22(24)29/h13,16,18-19,21,25,27H,3-12,14H2,1-2H3,(H,23,28,29)
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n/an/a 2.70E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitochondrial thymidine kinase (TK-2)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))		BDBM50100409
PNG
(BDBM50206502 | CHEMBL400410 | Decanoic acid 4-hydr...)
Show SMILES CCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H32N2O7/c1-3-4-5-6-7-8-9-10-15(24)29-17-16(25)14(12-23)28-19(17)22-11-13(2)18(26)21-20(22)27/h11,14,16-17,19,23,25H,3-10,12H2,1-2H3,(H,21,26,27)
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n/an/a 2.80E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitochondrial thymidine kinase (TK-2)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)		BDBM50366680
PNG
(CHEMBL605255)
Show SMILES OC[C@H]1OC([C@@H](O)[C@@H]1O)n1cc(C=CBr)c(=O)[nH]c1=O |r,w:13.14|
Show InChI InChI=1S/C11H13BrN2O6/c12-2-1-5-3-14(11(19)13-9(5)18)10-8(17)7(16)6(4-15)20-10/h1-3,6-8,10,15-17H,4H2,(H,13,18,19)/t6-,7-,8+,10?/m1/s1
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n/an/a 3.16E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Drosophila melanogaster deoxyribonucleoside kinase (Dm-dNK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)		BDBM50100415
PNG
(CHEMBL399413 | Methoxy-acetic acid 2-[5-((E)-2-bro...)
Show SMILES COCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(\C=C\Br)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H17BrN2O8/c1-23-6-9(19)25-11-10(20)8(5-18)24-13(11)17-4-7(2-3-15)12(21)16-14(17)22/h2-4,8,10-11,13,18,20H,5-6H2,1H3,(H,16,21,22)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Varicella- zoster virus thymidine kinase(VZV TK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))		BDBM50366680
PNG
(CHEMBL605255)
Show SMILES OC[C@H]1OC([C@@H](O)[C@@H]1O)n1cc(C=CBr)c(=O)[nH]c1=O |r,w:13.14|
Show InChI InChI=1S/C11H13BrN2O6/c12-2-1-5-3-14(11(19)13-9(5)18)10-8(17)7(16)6(4-15)20-10/h1-3,6-8,10,15-17H,4H2,(H,13,18,19)/t6-,7-,8+,10?/m1/s1
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n/an/a 4.30E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitochondrial thymidine kinase (TK-2)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)		BDBM50132291
PNG
(1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-t...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7+,9-/m1/s1
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n/an/a 6.50E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Drosophila melanogaster deoxyribonucleoside kinase (Dm-dNK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50100415
PNG
(CHEMBL399413 | Methoxy-acetic acid 2-[5-((E)-2-bro...)
Show SMILES COCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(\C=C\Br)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H17BrN2O8/c1-23-6-9(19)25-11-10(20)8(5-18)24-13(11)17-4-7(2-3-15)12(21)16-14(17)22/h2-4,8,10-11,13,18,20H,5-6H2,1H3,(H,16,21,22)
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n/an/a 8.40E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Herpes simplex virus type 1 thymidine kinase(HSV-1 TK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))		BDBM50100414
PNG
(1-(4-Hydroxy-5-hydroxymethyl-3-octyloxy-tetrahydro...)
Show SMILES CCCCCCCCO[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H30N2O6/c1-3-4-5-6-7-8-9-25-15-14(22)13(11-21)26-17(15)20-10-12(2)16(23)19-18(20)24/h10,13-15,17,21-22H,3-9,11H2,1-2H3,(H,19,23,24)
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n/an/a 1.20E+5n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitochondrial thymidine kinase (TK-2)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)		BDBM50100411
PNG
(CHEMBL400618 | Decanoic acid 2-[5-((E)-2-bromo-vin...)
Show SMILES CCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(\C=C\Br)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H31BrN2O7/c1-2-3-4-5-6-7-8-9-16(26)31-18-17(27)15(13-25)30-20(18)24-12-14(10-11-22)19(28)23-21(24)29/h10-12,15,17-18,20,25,27H,2-9,13H2,1H3,(H,23,28,29)
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n/an/a 1.63E+5n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Drosophila melanogaster deoxyribonucleoside kinase (Dm-dNK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)		BDBM50100407
PNG
(CHEMBL238635 | Octanoic acid 2-[5-((E)-2-bromo-vin...)
Show SMILES CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(\C=C\Br)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C19H27BrN2O7/c1-2-3-4-5-6-7-14(24)29-16-15(25)13(11-23)28-18(16)22-10-12(8-9-20)17(26)21-19(22)27/h8-10,13,15-16,18,23,25H,2-7,11H2,1H3,(H,21,26,27)
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n/an/a 1.78E+5n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Drosophila melanogaster deoxyribonucleoside kinase (Dm-dNK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))		BDBM50132291
PNG
(1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-t...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7+,9-/m1/s1
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n/an/a 2.85E+5n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitochondrial thymidine kinase (TK-2)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))		BDBM50100415
PNG
(CHEMBL399413 | Methoxy-acetic acid 2-[5-((E)-2-bro...)
Show SMILES COCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(\C=C\Br)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H17BrN2O8/c1-23-6-9(19)25-11-10(20)8(5-18)24-13(11)17-4-7(2-3-15)12(21)16-14(17)22/h2-4,8,10-11,13,18,20H,5-6H2,1H3,(H,16,21,22)
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n/an/a 4.02E+5n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitochondrial thymidine kinase (TK-2)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))		BDBM50366680
PNG
(CHEMBL605255)
Show SMILES OC[C@H]1OC([C@@H](O)[C@@H]1O)n1cc(C=CBr)c(=O)[nH]c1=O |r,w:13.14|
Show InChI InChI=1S/C11H13BrN2O6/c12-2-1-5-3-14(11(19)13-9(5)18)10-8(17)7(16)6(4-15)20-10/h1-3,6-8,10,15-17H,4H2,(H,13,18,19)/t6-,7-,8+,10?/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against cytosolic thymidine kinase (TK-1)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)		BDBM50100407
PNG
(CHEMBL238635 | Octanoic acid 2-[5-((E)-2-bromo-vin...)
Show SMILES CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(\C=C\Br)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C19H27BrN2O7/c1-2-3-4-5-6-7-14(24)29-16-15(25)13(11-23)28-18(16)22-10-12(8-9-20)17(26)21-19(22)27/h8-10,13,15-16,18,23,25H,2-7,11H2,1H3,(H,21,26,27)
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n/an/a 7.18E+5n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Varicella- zoster virus thymidine kinase(VZV TK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))		BDBM50100406
PNG
(1-(3-Benzyloxy-4-hydroxy-5-hydroxymethyl-tetrahydr...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OCc2ccccc2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H20N2O6/c1-10-7-19(17(23)18-15(10)22)16-14(13(21)12(8-20)25-16)24-9-11-5-3-2-4-6-11/h2-7,12-14,16,20-21H,8-9H2,1H3,(H,18,22,23)
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n/an/a 8.01E+5n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitochondrial thymidine kinase (TK-2)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)		BDBM50100411
PNG
(CHEMBL400618 | Decanoic acid 2-[5-((E)-2-bromo-vin...)
Show SMILES CCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(\C=C\Br)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H31BrN2O7/c1-2-3-4-5-6-7-8-9-16(26)31-18-17(27)15(13-25)30-20(18)24-12-14(10-11-22)19(28)23-21(24)29/h10-12,15,17-18,20,25,27H,2-9,13H2,1H3,(H,23,28,29)
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n/an/a 8.45E+5n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Varicella- zoster virus thymidine kinase(VZV TK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)		BDBM50100412
PNG
(BDBM50206505 | CHEMBL392957 | Dodecanoic acid 4-hy...)
Show SMILES CCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C22H36N2O7/c1-3-4-5-6-7-8-9-10-11-12-17(26)31-19-18(27)16(14-25)30-21(19)24-13-15(2)20(28)23-22(24)29/h13,16,18-19,21,25,27H,3-12,14H2,1-2H3,(H,23,28,29)
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n/an/a 8.72E+5n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Drosophila melanogaster deoxyribonucleoside kinase (Dm-dNK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)		BDBM50100410
PNG
(BDBM50206503 | CHEMBL392346 | Pentanoic acid 4-hyd...)
Show SMILES CCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H22N2O7/c1-3-4-5-10(19)24-12-11(20)9(7-18)23-14(12)17-6-8(2)13(21)16-15(17)22/h6,9,11-12,14,18,20H,3-5,7H2,1-2H3,(H,16,21,22)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Drosophila melanogaster deoxyribonucleoside kinase (Dm-dNK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50100408
PNG
(4-Amino-1-(4-hydroxy-5-hydroxymethyl-3-octyloxy-te...)
Show SMILES CCCCCCCCO[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O |r|
Show InChI InChI=1S/C17H29N3O5/c1-2-3-4-5-6-7-10-24-15-14(22)12(11-21)25-16(15)20-9-8-13(18)19-17(20)23/h8-9,12,14-16,21-22H,2-7,10-11H2,1H3,(H2,18,19,23)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity against Nicotinic acetylcholine receptor in synaptic membrane fractions from rat cerebral cortices.

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)		BDBM50100409
PNG
(BDBM50206502 | CHEMBL400410 | Decanoic acid 4-hydr...)
Show SMILES CCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H32N2O7/c1-3-4-5-6-7-8-9-10-15(24)29-17-16(25)14(12-23)28-19(17)22-11-13(2)18(26)21-20(22)27/h11,14,16-17,19,23,25H,3-10,12H2,1-2H3,(H,21,26,27)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Drosophila melanogaster deoxyribonucleoside kinase (Dm-dNK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)		BDBM50100412
PNG
(BDBM50206505 | CHEMBL392957 | Dodecanoic acid 4-hy...)
Show SMILES CCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C22H36N2O7/c1-3-4-5-6-7-8-9-10-11-12-17(26)31-19-18(27)16(14-25)30-21(19)24-13-15(2)20(28)23-22(24)29/h13,16,18-19,21,25,27H,3-12,14H2,1-2H3,(H,23,28,29)
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Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Varicella- zoster virus thymidine kinase(VZV TK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)		BDBM50100409
PNG
(BDBM50206502 | CHEMBL400410 | Decanoic acid 4-hydr...)
Show SMILES CCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H32N2O7/c1-3-4-5-6-7-8-9-10-15(24)29-17-16(25)14(12-23)28-19(17)22-11-13(2)18(26)21-20(22)27/h11,14,16-17,19,23,25H,3-10,12H2,1-2H3,(H,21,26,27)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Varicella- zoster virus thymidine kinase(VZV TK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))		BDBM50100406
PNG
(1-(3-Benzyloxy-4-hydroxy-5-hydroxymethyl-tetrahydr...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OCc2ccccc2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H20N2O6/c1-10-7-19(17(23)18-15(10)22)16-14(13(21)12(8-20)25-16)24-9-11-5-3-2-4-6-11/h2-7,12-14,16,20-21H,8-9H2,1H3,(H,18,22,23)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against cytosolic thymidine kinase (TK-1)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50100409
PNG
(BDBM50206502 | CHEMBL400410 | Decanoic acid 4-hydr...)
Show SMILES CCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H32N2O7/c1-3-4-5-6-7-8-9-10-15(24)29-17-16(25)14(12-23)28-19(17)22-11-13(2)18(26)21-20(22)27/h11,14,16-17,19,23,25H,3-10,12H2,1-2H3,(H,21,26,27)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Herpes simplex virus type 1 thymidine kinase(HSV-1 TK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))		BDBM50087289
PNG
(1-beta-D-Arabinofuranosylcytosine | 4-Amino-1-beta...)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitochondrial thymidine kinase (TK-2)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))		BDBM50100408
PNG
(4-Amino-1-(4-hydroxy-5-hydroxymethyl-3-octyloxy-te...)
Show SMILES CCCCCCCCO[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O |r|
Show InChI InChI=1S/C17H29N3O5/c1-2-3-4-5-6-7-10-24-15-14(22)12(11-21)25-16(15)20-9-8-13(18)19-17(20)23/h8-9,12,14-16,21-22H,2-7,10-11H2,1H3,(H2,18,19,23)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitochondrial thymidine kinase (TK-2)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))		BDBM50132291
PNG
(1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-t...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7+,9-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against cytosolic thymidine kinase (TK-1)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))		BDBM50100411
PNG
(CHEMBL400618 | Decanoic acid 2-[5-((E)-2-bromo-vin...)
Show SMILES CCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(\C=C\Br)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H31BrN2O7/c1-2-3-4-5-6-7-8-9-16(26)31-18-17(27)15(13-25)30-20(18)24-12-14(10-11-22)19(28)23-21(24)29/h10-12,15,17-18,20,25,27H,2-9,13H2,1H3,(H,23,28,29)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against cytosolic thymidine kinase (TK-1)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)		BDBM50100414
PNG
(1-(4-Hydroxy-5-hydroxymethyl-3-octyloxy-tetrahydro...)
Show SMILES CCCCCCCCO[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H30N2O6/c1-3-4-5-6-7-8-9-25-15-14(22)13(11-21)26-17(15)20-10-12(2)16(23)19-18(20)24/h10,13-15,17,21-22H,3-9,11H2,1-2H3,(H,19,23,24)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Drosophila melanogaster deoxyribonucleoside kinase (Dm-dNK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)		BDBM50100406
PNG
(1-(3-Benzyloxy-4-hydroxy-5-hydroxymethyl-tetrahydr...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OCc2ccccc2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H20N2O6/c1-10-7-19(17(23)18-15(10)22)16-14(13(21)12(8-20)25-16)24-9-11-5-3-2-4-6-11/h2-7,12-14,16,20-21H,8-9H2,1H3,(H,18,22,23)
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Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Drosophila melanogaster deoxyribonucleoside kinase (Dm-dNK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)		BDBM50100410
PNG
(BDBM50206503 | CHEMBL392346 | Pentanoic acid 4-hyd...)
Show SMILES CCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H22N2O7/c1-3-4-5-10(19)24-12-11(20)9(7-18)23-14(12)17-6-8(2)13(21)16-15(17)22/h6,9,11-12,14,18,20H,3-5,7H2,1-2H3,(H,16,21,22)
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Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Varicella- zoster virus thymidine kinase(VZV TK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)		BDBM50100406
PNG
(1-(3-Benzyloxy-4-hydroxy-5-hydroxymethyl-tetrahydr...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OCc2ccccc2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H20N2O6/c1-10-7-19(17(23)18-15(10)22)16-14(13(21)12(8-20)25-16)24-9-11-5-3-2-4-6-11/h2-7,12-14,16,20-21H,8-9H2,1H3,(H,18,22,23)
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Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Varicella- zoster virus thymidine kinase(VZV TK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50100411
PNG
(CHEMBL400618 | Decanoic acid 2-[5-((E)-2-bromo-vin...)
Show SMILES CCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(\C=C\Br)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H31BrN2O7/c1-2-3-4-5-6-7-8-9-16(26)31-18-17(27)15(13-25)30-20(18)24-12-14(10-11-22)19(28)23-21(24)29/h10-12,15,17-18,20,25,27H,2-9,13H2,1H3,(H,23,28,29)
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Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Herpes simplex virus type 1 thymidine kinase(HSV-1 TK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))		BDBM50100408
PNG
(4-Amino-1-(4-hydroxy-5-hydroxymethyl-3-octyloxy-te...)
Show SMILES CCCCCCCCO[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O |r|
Show InChI InChI=1S/C17H29N3O5/c1-2-3-4-5-6-7-10-24-15-14(22)12(11-21)25-16(15)20-9-8-13(18)19-17(20)23/h8-9,12,14-16,21-22H,2-7,10-11H2,1H3,(H2,18,19,23)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against cytosolic thymidine kinase (TK-1)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))		BDBM50100410
PNG
(BDBM50206503 | CHEMBL392346 | Pentanoic acid 4-hyd...)
Show SMILES CCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H22N2O7/c1-3-4-5-10(19)24-12-11(20)9(7-18)23-14(12)17-6-8(2)13(21)16-15(17)22/h6,9,11-12,14,18,20H,3-5,7H2,1-2H3,(H,16,21,22)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against cytosolic thymidine kinase (TK-1)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))		BDBM50100410
PNG
(BDBM50206503 | CHEMBL392346 | Pentanoic acid 4-hyd...)
Show SMILES CCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H22N2O7/c1-3-4-5-10(19)24-12-11(20)9(7-18)23-14(12)17-6-8(2)13(21)16-15(17)22/h6,9,11-12,14,18,20H,3-5,7H2,1-2H3,(H,16,21,22)
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Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitochondrial thymidine kinase (TK-2)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)		BDBM50087289
PNG
(1-beta-D-Arabinofuranosylcytosine | 4-Amino-1-beta...)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1
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Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Varicella- zoster virus thymidine kinase(VZV TK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))		BDBM50100412
PNG
(BDBM50206505 | CHEMBL392957 | Dodecanoic acid 4-hy...)
Show SMILES CCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C22H36N2O7/c1-3-4-5-6-7-8-9-10-11-12-17(26)31-19-18(27)16(14-25)30-21(19)24-13-15(2)20(28)23-22(24)29/h13,16,18-19,21,25,27H,3-12,14H2,1-2H3,(H,23,28,29)
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Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against cytosolic thymidine kinase (TK-1)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50100410
PNG
(BDBM50206503 | CHEMBL392346 | Pentanoic acid 4-hyd...)
Show SMILES CCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H22N2O7/c1-3-4-5-10(19)24-12-11(20)9(7-18)23-14(12)17-6-8(2)13(21)16-15(17)22/h6,9,11-12,14,18,20H,3-5,7H2,1-2H3,(H,16,21,22)
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Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Herpes simplex virus type 1 thymidine kinase(HSV-1 TK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50087289
PNG
(1-beta-D-Arabinofuranosylcytosine | 4-Amino-1-beta...)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1
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Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of Rhizopus chinensis pepsin using fluorescence assay

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50100414
PNG
(1-(4-Hydroxy-5-hydroxymethyl-3-octyloxy-tetrahydro...)
Show SMILES CCCCCCCCO[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H30N2O6/c1-3-4-5-6-7-8-9-25-15-14(22)13(11-21)26-17(15)20-10-12(2)16(23)19-18(20)24/h10,13-15,17,21-22H,3-9,11H2,1-2H3,(H,19,23,24)
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Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity towards nicotinic acetylcholine receptor in rat P2 brain membranes using [3H]-nicotine as a radioligan...

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))		BDBM50087289
PNG
(1-beta-D-Arabinofuranosylcytosine | 4-Amino-1-beta...)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1
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Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against cytosolic thymidine kinase (TK-1)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))		BDBM50100415
PNG
(CHEMBL399413 | Methoxy-acetic acid 2-[5-((E)-2-bro...)
Show SMILES COCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(\C=C\Br)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H17BrN2O8/c1-23-6-9(19)25-11-10(20)8(5-18)24-13(11)17-4-7(2-3-15)12(21)16-14(17)22/h2-4,8,10-11,13,18,20H,5-6H2,1H3,(H,16,21,22)
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Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against cytosolic thymidine kinase (TK-1)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))		BDBM50100409
PNG
(BDBM50206502 | CHEMBL400410 | Decanoic acid 4-hydr...)
Show SMILES CCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H32N2O7/c1-3-4-5-6-7-8-9-10-15(24)29-17-16(25)14(12-23)28-19(17)22-11-13(2)18(26)21-20(22)27/h11,14,16-17,19,23,25H,3-10,12H2,1-2H3,(H,21,26,27)
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Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against cytosolic thymidine kinase (TK-1)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))		BDBM50100407
PNG
(CHEMBL238635 | Octanoic acid 2-[5-((E)-2-bromo-vin...)
Show SMILES CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(\C=C\Br)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C19H27BrN2O7/c1-2-3-4-5-6-7-14(24)29-16-15(25)13(11-23)28-18(16)22-10-12(8-9-20)17(26)21-19(22)27/h8-10,13,15-16,18,23,25H,2-7,11H2,1H3,(H,21,26,27)
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Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against cytosolic thymidine kinase (TK-1)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)		BDBM50100414
PNG
(1-(4-Hydroxy-5-hydroxymethyl-3-octyloxy-tetrahydro...)
Show SMILES CCCCCCCCO[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H30N2O6/c1-3-4-5-6-7-8-9-25-15-14(22)13(11-21)26-17(15)20-10-12(2)16(23)19-18(20)24/h10,13-15,17,21-22H,3-9,11H2,1-2H3,(H,19,23,24)
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Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Varicella- zoster virus thymidine kinase(VZV TK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50100407
PNG
(CHEMBL238635 | Octanoic acid 2-[5-((E)-2-bromo-vin...)
Show SMILES CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(\C=C\Br)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C19H27BrN2O7/c1-2-3-4-5-6-7-14(24)29-16-15(25)13(11-23)28-18(16)22-10-12(8-9-20)17(26)21-19(22)27/h8-10,13,15-16,18,23,25H,2-7,11H2,1H3,(H,21,26,27)
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Universit£ di Ferrara

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity against Nicotinic acetylcholine receptor in synaptic membrane fractions from rat cerebral cortices.

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50100406
PNG
(1-(3-Benzyloxy-4-hydroxy-5-hydroxymethyl-tetrahydr...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OCc2ccccc2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H20N2O6/c1-10-7-19(17(23)18-15(10)22)16-14(13(21)12(8-20)25-16)24-9-11-5-3-2-4-6-11/h2-7,12-14,16,20-21H,8-9H2,1H3,(H,18,22,23)
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Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Herpes simplex virus type 1 thymidine kinase(HSV-1 TK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))		BDBM50100414
PNG
(1-(4-Hydroxy-5-hydroxymethyl-3-octyloxy-tetrahydro...)
Show SMILES CCCCCCCCO[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H30N2O6/c1-3-4-5-6-7-8-9-25-15-14(22)13(11-21)26-17(15)20-10-12(2)16(23)19-18(20)24/h10,13-15,17,21-22H,3-9,11H2,1-2H3,(H,19,23,24)
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Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against cytosolic thymidine kinase (TK-1)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50100412
PNG
(BDBM50206505 | CHEMBL392957 | Dodecanoic acid 4-hy...)
Show SMILES CCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C22H36N2O7/c1-3-4-5-6-7-8-9-10-11-12-17(26)31-19-18(27)16(14-25)30-21(19)24-13-15(2)20(28)23-22(24)29/h13,16,18-19,21,25,27H,3-12,14H2,1-2H3,(H,23,28,29)
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Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Herpes simplex virus type 1 thymidine kinase(HSV-1 TK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)		BDBM50100408
PNG
(4-Amino-1-(4-hydroxy-5-hydroxymethyl-3-octyloxy-te...)
Show SMILES CCCCCCCCO[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O |r|
Show InChI InChI=1S/C17H29N3O5/c1-2-3-4-5-6-7-10-24-15-14(22)12(11-21)25-16(15)20-9-8-13(18)19-17(20)23/h8-9,12,14-16,21-22H,2-7,10-11H2,1H3,(H2,18,19,23)
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Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Varicella- zoster virus thymidine kinase(VZV TK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
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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n/an/a 2.87E+6n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Compound was evaluated for potency towards nicotinic acetylcholine receptor in rat P2 brain membranes using [3H]-nicotine as a radioligand

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)		BDBM50087289
PNG
(1-beta-D-Arabinofuranosylcytosine | 4-Amino-1-beta...)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1
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KEGG

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n/an/a 5.32E+6n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Drosophila melanogaster deoxyribonucleoside kinase (Dm-dNK)

Bioorg Med Chem Lett 11: 1329-32 (2001)


BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%