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Compile Data Set for Download or QSAR

Found 83 hits Enz. Inhib. hit(s) with Target = 'Thymidine kinase, mitochondrial' AND taxid = 9606   
Target
(Institution)
LigandTarget
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, mitochondrial


(Homo sapiens)
BDBM50314845
PNG
(3'-(4-Chlorophenyl-1,2,3-triazol-1-yl)-3'-deoxy-be...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1n1cc(nn1)-c1ccc(Cl)cc1)n1cc(C=CBr)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H17BrClN5O4/c20-6-5-12-8-25(19(29)22-18(12)28)17-7-15(16(10-27)30-17)26-9-14(23-24-26)11-1-3-13(21)4-2-11/h1-6,8-9,15-17,27H,7,10H2,(H,22,28,29)/t15-,16+,17+/m0/s1
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12n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant mitochondrial thymidine kinase 2 using ATP as substrate by Lineweaver-Burk plotting


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50314848
PNG
(3'-hexanoylamino-3'-deoxythymidine | CHEMBL1089836)
Show SMILES CCCCCC(=O)N[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H25N3O5/c1-3-4-5-6-13(21)17-11-7-14(24-12(11)9-20)19-8-10(2)15(22)18-16(19)23/h8,11-12,14,20H,3-7,9H2,1-2H3,(H,17,21)(H,18,22,23)/t11-,12+,14+/m0/s1
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150n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of thymidine kinase 2


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50200995
PNG
(1-[6-[1,1-(diphenyl)-1-(4-pyridyl)methoxy]hexyl]th...)
Show SMILES Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2ccncc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C29H31N3O3/c1-23-22-32(28(34)31-27(23)33)20-10-2-3-11-21-35-29(24-12-6-4-7-13-24,25-14-8-5-9-15-25)26-16-18-30-19-17-26/h4-9,12-19,22H,2-3,10-11,20-21H2,1H3,(H,31,33,34)
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290n/an/an/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of TK2


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50314845
PNG
(3'-(4-Chlorophenyl-1,2,3-triazol-1-yl)-3'-deoxy-be...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1n1cc(nn1)-c1ccc(Cl)cc1)n1cc(C=CBr)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H17BrClN5O4/c20-6-5-12-8-25(19(29)22-18(12)28)17-7-15(16(10-27)30-17)26-9-14(23-24-26)11-1-3-13(21)4-2-11/h1-6,8-9,15-17,27H,7,10H2,(H,22,28,29)/t15-,16+,17+/m0/s1
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410n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant mitochondrial thymidine kinase 2 using thymidine as substrate by Lineweaver-Burk plotting


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50118490
PNG
(1-[(Z)-4-(triphenylmethoxy)-2-butenyl]thymine | 5-...)
Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H26N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21H,19-20H2,1H3,(H,29,31,32)/b12-11-
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500n/an/an/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of TK2


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50206491
PNG
(1-beta-D-arabinofuranosyl-5-(2-bromovinyl)uracil |...)
Show SMILES OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n1cc(C=CBr)c(=O)[nH]c1=O
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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1.04E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of thymidine kinase 2


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50375778
PNG
(CHEMBL221982)
Show SMILES CCCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H18N2O5/c1-2-3-7-5-14(12(18)13-11(7)17)10-4-8(16)9(6-15)19-10/h5,8-10,15-16H,2-4,6H2,1H3,(H,13,17,18)/t8-,9+,10+/m0/s1
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2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human mitochondrial thymidine kinase


J Med Chem 22: 621-31 (1979)

More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50314845
PNG
(3'-(4-Chlorophenyl-1,2,3-triazol-1-yl)-3'-deoxy-be...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1n1cc(nn1)-c1ccc(Cl)cc1)n1cc(C=CBr)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H17BrClN5O4/c20-6-5-12-8-25(19(29)22-18(12)28)17-7-15(16(10-27)30-17)26-9-14(23-24-26)11-1-3-13(21)4-2-11/h1-6,8-9,15-17,27H,7,10H2,(H,22,28,29)/t15-,16+,17+/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mitochondrial thymidine kinase 2 assessed as inhibition of [methyl-3H]dThd phosphorylation after 30 mins by scintilla...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50314840
PNG
(3'-Deoxy-3'-(4-(3,4-dichlorophenyl)-1,2,3-triazol-...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H17Cl2N5O4/c1-9-6-24(18(28)21-17(9)27)16-5-14(15(8-26)29-16)25-7-13(22-23-25)10-2-3-11(19)12(20)4-10/h2-4,6-7,14-16,26H,5,8H2,1H3,(H,21,27,28)/t14-,15+,16+/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mitochondrial thymidine kinase 2 assessed as inhibition of [methyl-3H]dThd phosphorylation after 30 mins by scintilla...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50314839
PNG
(3'-(4-Chlorophenyl-1,2,3-triazol-1-yl)-3'-deoxy-be...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccc(Cl)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H18ClN5O4/c1-10-7-23(18(27)20-17(10)26)16-6-14(15(9-25)28-16)24-8-13(21-22-24)11-2-4-12(19)5-3-11/h2-5,7-8,14-16,25H,6,9H2,1H3,(H,20,26,27)/t14-,15+,16+/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mitochondrial thymidine kinase 2 assessed as inhibition of [methyl-3H]dThd phosphorylation after 30 mins by scintilla...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50314838
PNG
(3'-(4-Cyclopentylmethyl-1,2,3-triazol-1-yl)-3'-deo...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(CC3CCCC3)nn2)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H25N5O4/c1-11-8-22(18(26)19-17(11)25)16-7-14(15(10-24)27-16)23-9-13(20-21-23)6-12-4-2-3-5-12/h8-9,12,14-16,24H,2-7,10H2,1H3,(H,19,25,26)/t14-,15+,16+/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mitochondrial thymidine kinase 2 assessed as inhibition of [methyl-3H]dThd phosphorylation after 30 mins by scintilla...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50314850
PNG
(1-(4-chloro-3-(trifluoromethyl)phenyl)-3-((2S,3S,5...)
Show SMILES Cc1cn([C@H]2C[C@H](NC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H18ClF3N4O4S/c1-8-6-26(17(29)25-15(8)28)14-5-12(13(7-27)30-14)24-16(31)23-9-2-3-11(19)10(4-9)18(20,21)22/h2-4,6,12-14,27H,5,7H2,1H3,(H2,23,24,31)(H,25,28,29)/t12-,13+,14+/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mitochondrial thymidine kinase 2 assessed as inhibition of [methyl-3H]dThd phosphorylation after 30 mins by scintilla...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50314835
PNG
(3'-(4-Butyl-1,2,3-triazol-1-yl)-3'-deoxy-beta-D-th...)
Show SMILES CCCCc1cn(nn1)[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H23N5O4/c1-3-4-5-11-8-21(19-18-11)12-6-14(25-13(12)9-22)20-7-10(2)15(23)17-16(20)24/h7-8,12-14,22H,3-6,9H2,1-2H3,(H,17,23,24)/t12-,13+,14+/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mitochondrial thymidine kinase 2 assessed as inhibition of [methyl-3H]dThd phosphorylation after 30 mins by scintilla...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50314844
PNG
(3'-Deoxy-3'-(4-phenyl-1,2,3-triazol-1-yl)-beta-(E)...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1n1cc(nn1)-c1ccccc1)n1cc(C=CBr)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H18BrN5O4/c20-7-6-13-9-24(19(28)21-18(13)27)17-8-15(16(11-26)29-17)25-10-14(22-23-25)12-4-2-1-3-5-12/h1-7,9-10,15-17,26H,8,11H2,(H,21,27,28)/t15-,16+,17+/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mitochondrial thymidine kinase 2 assessed as inhibition of [methyl-3H]dThd phosphorylation after 30 mins by scintilla...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50314837
PNG
(3'-(4-Benzyl-1,2,3-triazol-1-yl)-3'-deoxy-beta-D-t...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(Cc3ccccc3)nn2)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H21N5O4/c1-12-9-23(19(27)20-18(12)26)17-8-15(16(11-25)28-17)24-10-14(21-22-24)7-13-5-3-2-4-6-13/h2-6,9-10,15-17,25H,7-8,11H2,1H3,(H,20,26,27)/t15-,16+,17+/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mitochondrial thymidine kinase 2 assessed as inhibition of [methyl-3H]dThd phosphorylation after 30 mins by scintilla...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50314836
PNG
(3'-(4-Phenyl-1,2,3-triazol-1-yl)-3'-deoxythymidine...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H19N5O4/c1-11-8-22(18(26)19-17(11)25)16-7-14(15(10-24)27-16)23-9-13(20-21-23)12-5-3-2-4-6-12/h2-6,8-9,14-16,24H,7,10H2,1H3,(H,19,25,26)/t14-,15+,16+/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mitochondrial thymidine kinase 2 assessed as inhibition of [methyl-3H]dThd phosphorylation after 30 mins by scintilla...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50201000
PNG
(4-[1,1-(diphenyl)-1-[(6-thymin-1-yl)hexyloxy]methy...)
Show SMILES CNC(=O)c1ccc(cc1)C(OCCCCCCn1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H35N3O4/c1-24-23-35(31(38)34-29(24)36)21-11-3-4-12-22-39-32(26-13-7-5-8-14-26,27-15-9-6-10-16-27)28-19-17-25(18-20-28)30(37)33-2/h5-10,13-20,23H,3-4,11-12,21-22H2,1-2H3,(H,33,37)(H,34,36,38)
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n/an/a 390n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50314849
PNG
(CHEMBL1091872 | N-methyl-4-((8-(5-methyl-2,4-dioxo...)
Show SMILES CNC(=O)c1ccc(cc1)C(OCCCCCCCCn1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H39N3O4/c1-26-25-37(33(40)36-31(26)38)23-13-5-3-4-6-14-24-41-34(28-15-9-7-10-16-28,29-17-11-8-12-18-29)30-21-19-27(20-22-30)32(39)35-2/h7-12,15-22,25H,3-6,13-14,23-24H2,1-2H3,(H,35,39)(H,36,38,40)
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n/an/a 400n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of thymidine kinase 2


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50200995
PNG
(1-[6-[1,1-(diphenyl)-1-(4-pyridyl)methoxy]hexyl]th...)
Show SMILES Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2ccncc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C29H31N3O3/c1-23-22-32(28(34)31-27(23)33)20-10-2-3-11-21-35-29(24-12-6-4-7-13-24,25-14-8-5-9-15-25)26-16-18-30-19-17-26/h4-9,12-19,22H,2-3,10-11,20-21H2,1H3,(H,31,33,34)
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n/an/a 470n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50200990
PNG
(1-[6-(triphenylmethoxy)hexyl]thymine | CHEMBL21699...)
Show SMILES Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C30H32N2O3/c1-24-23-32(29(34)31-28(24)33)21-13-2-3-14-22-35-30(25-15-7-4-8-16-25,26-17-9-5-10-18-26)27-19-11-6-12-20-27/h4-12,15-20,23H,2-3,13-14,21-22H2,1H3,(H,31,33,34)
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n/an/a 500n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50314842
PNG
(3'-Deoxy-3'-(5-phenyl-1,2,3-triazol-1-yl)-beta-D-t...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2nncc2-c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H19N5O4/c1-11-9-22(18(26)20-17(11)25)16-7-13(15(10-24)27-16)23-14(8-19-21-23)12-5-3-2-4-6-12/h2-6,8-9,13,15-16,24H,7,10H2,1H3,(H,20,25,26)/t13-,15+,16+/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mitochondrial thymidine kinase 2 assessed as inhibition of [methyl-3H]dThd phosphorylation after 30 mins by scintilla...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50314841
PNG
(3'-(4-(2-Pyridine)-1,2,3-triazole-1-yl)-2'-deoxyth...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccccn2)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H18N6O4/c1-10-7-22(17(26)19-16(10)25)15-6-13(14(9-24)27-15)23-8-12(20-21-23)11-4-2-3-5-18-11/h2-5,7-8,13-15,24H,6,9H2,1H3,(H,19,25,26)/t13-,14+,15+/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mitochondrial thymidine kinase 2 assessed as inhibition of [methyl-3H]dThd phosphorylation after 30 mins by scintilla...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50118490
PNG
(1-[(Z)-4-(triphenylmethoxy)-2-butenyl]thymine | 5-...)
Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H26N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21H,19-20H2,1H3,(H,29,31,32)/b12-11-
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n/an/a 1.50E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50118490
PNG
(1-[(Z)-4-(triphenylmethoxy)-2-butenyl]thymine | 5-...)
Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H26N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21H,19-20H2,1H3,(H,29,31,32)/b12-11-
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n/an/a 1.50E+3n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of thymidine kinase 2


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50200999
PNG
(1-[(Z)-4-[1,1-(diphenyl)-1-(4-pyridyl)methoxy]-2-b...)
Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccncc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C27H25N3O3/c1-21-20-30(26(32)29-25(21)31)18-8-9-19-33-27(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24-14-16-28-17-15-24/h2-17,20H,18-19H2,1H3,(H,29,31,32)/b9-8-
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n/an/a 1.80E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50201004
PNG
(1-[6-[1-(4-chlorophenyl)-1,1-(diphenyl)methoxy]hex...)
Show SMILES Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C30H31ClN2O3/c1-23-22-33(29(35)32-28(23)34)20-10-2-3-11-21-36-30(24-12-6-4-7-13-24,25-14-8-5-9-15-25)26-16-18-27(31)19-17-26/h4-9,12-19,22H,2-3,10-11,20-21H2,1H3,(H,32,34,35)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50200992
PNG
(4-[1,1-(diphenyl)-1-(Z)-[4-(thymin-1-yl)but-2-enox...)
Show SMILES CNC(=O)c1ccc(cc1)C(OC\C=C/Cn1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H29N3O4/c1-22-21-33(29(36)32-27(22)34)19-9-10-20-37-30(24-11-5-3-6-12-24,25-13-7-4-8-14-25)26-17-15-23(16-18-26)28(35)31-2/h3-18,21H,19-20H2,1-2H3,(H,31,35)(H,32,34,36)/b10-9-
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n/an/a 1.90E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50200998
PNG
(1-[(Z)-4-[1-(4-chlorophenyl)-1,1-(diphenyl)methoxy...)
Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H25ClN2O3/c1-21-20-31(27(33)30-26(21)32)18-8-9-19-34-28(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24-14-16-25(29)17-15-24/h2-17,20H,18-19H2,1H3,(H,30,32,33)/b9-8-
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n/an/a 2.40E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50201001
PNG
(1-[5-(triphenylmethoxy)pentyl]thymine | CHEMBL2169...)
Show SMILES Cc1cn(CCCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C29H30N2O3/c1-23-22-31(28(33)30-27(23)32)20-12-5-13-21-34-29(24-14-6-2-7-15-24,25-16-8-3-9-17-25)26-18-10-4-11-19-26/h2-4,6-11,14-19,22H,5,12-13,20-21H2,1H3,(H,30,32,33)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50206507
PNG
(1-[2'-O-(N-Boc-12-aminododecanoyl)-beta-D-arabinof...)
Show SMILES CC(C)(C)OC(=O)NCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C=CBr)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H44BrN3O9/c1-28(2,3)41-27(38)30-16-12-10-8-6-4-5-7-9-11-13-21(34)40-23-22(35)20(18-33)39-25(23)32-17-19(14-15-29)24(36)31-26(32)37/h14-15,17,20,22-23,25,33,35H,4-13,16,18H2,1-3H3,(H,30,38)(H,31,36,37)/t20-,22-,23+,25-/m1/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human TK2 assessed as [methyl-3H]dThd phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50314843
PNG
(3'-(5-(4-Chlorophenyl)-1,2,3-triazol-1-yl)-3'-deox...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2nncc2-c2ccc(Cl)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H18ClN5O4/c1-10-8-23(18(27)21-17(10)26)16-6-13(15(9-25)28-16)24-14(7-20-22-24)11-2-4-12(19)5-3-11/h2-5,7-8,13,15-16,25H,6,9H2,1H3,(H,21,26,27)/t13-,15+,16+/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mitochondrial thymidine kinase 2 assessed as inhibition of [methyl-3H]dThd phosphorylation after 30 mins by scintilla...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50200997
PNG
(1-[7-(triphenylmethoxy)heptyl]thymine | CHEMBL2193...)
Show SMILES Cc1cn(CCCCCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C31H34N2O3/c1-25-24-33(30(35)32-29(25)34)22-14-3-2-4-15-23-36-31(26-16-8-5-9-17-26,27-18-10-6-11-19-27)28-20-12-7-13-21-28/h5-13,16-21,24H,2-4,14-15,22-23H2,1H3,(H,32,34,35)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50314847
PNG
(3'-(1,2,3-Triazol-1-yl)-3'-deoxy-beta-D-thymidine ...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2ccnn2)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H15N5O4/c1-7-5-16(12(20)14-11(7)19)10-4-8(9(6-18)21-10)17-3-2-13-15-17/h2-3,5,8-10,18H,4,6H2,1H3,(H,14,19,20)/t8-,9+,10+/m0/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mitochondrial thymidine kinase 2 assessed as inhibition of [methyl-3H]dThd phosphorylation after 30 mins by scintilla...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50200996
PNG
(1-[2-[2-[1-(4-chlorophenyl)-1,1-(diphenyl)methoxy]...)
Show SMILES Cc1cn(CCOCCOC(c2ccccc2)(c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H27ClN2O4/c1-21-20-31(27(33)30-26(21)32)16-17-34-18-19-35-28(22-8-4-2-5-9-22,23-10-6-3-7-11-23)24-12-14-25(29)15-13-24/h2-15,20H,16-19H2,1H3,(H,30,32,33)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50206488
PNG
((2R,3S,4R,5R)-2-(5-(2-bromovinyl)-2,4-dioxo-3,4-di...)
Show SMILES CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C=CBr)c(=O)[nH]c1=O
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)/t13-,15-,16+,18-/m1/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of thymidine kinase 2


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50206488
PNG
((2R,3S,4R,5R)-2-(5-(2-bromovinyl)-2,4-dioxo-3,4-di...)
Show SMILES CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C=CBr)c(=O)[nH]c1=O
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)/t13-,15-,16+,18-/m1/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human TK2 assessed as [methyl-3H]dThd phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50100407
PNG
(CHEMBL238635 | CHEMBL28396 | Octanoic acid 2-[5-((...)
Show SMILES CCCCCCCC(=O)OC1C(O)C(CO)OC1n1cc(C=CBr)c(=O)[nH]c1=O
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)

More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50206496
PNG
(1-[2'-O-(N-boc-8-aminooctanoyl)-beta-D-arabinofura...)
Show SMILES CC(C)(C)OC(=O)NCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C=CBr)c(=O)[nH]c1=O
Show InChI InChI=1S/C24H36BrN3O9/c1-24(2,3)37-23(34)26-12-8-6-4-5-7-9-17(30)36-19-18(31)16(14-29)35-21(19)28-13-15(10-11-25)20(32)27-22(28)33/h10-11,13,16,18-19,21,29,31H,4-9,12,14H2,1-3H3,(H,26,34)(H,27,32,33)/t16-,18-,19+,21-/m1/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human TK2 assessed as [methyl-3H]dThd phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50206484
PNG
((2R,3S,4R,5R)-2-(5-((E)-2-bromovinyl)-2,4-dioxo-3,...)
Show SMILES CCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C=CBr)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)/t15-,17-,18+,20-/m1/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human TK2 assessed as [methyl-3H]dThd phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50100411
PNG
(CHEMBL28291 | CHEMBL400618 | Decanoic acid 2-[5-((...)
Show SMILES CCCCCCCCCC(=O)OC1C(O)C(CO)OC1n1cc(C=CBr)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)

More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50200994
PNG
(1-[2-(2-triphenylmethoxyethoxy)ethyl]thymine | CHE...)
Show SMILES Cc1cn(CCOCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H28N2O4/c1-22-21-30(27(32)29-26(22)31)17-18-33-19-20-34-28(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,21H,17-20H2,1H3,(H,29,31,32)
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n/an/a 9.70E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50201005
PNG
(CHEMBL438603 | N-methyl-4-[1,1-(diphenyl)-1-[6-(th...)
Show SMILES Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2cc[n+](C)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C30H33N3O3/c1-24-23-33(29(35)31-28(24)34)19-11-3-4-12-22-36-30(25-13-7-5-8-14-25,26-15-9-6-10-16-26)27-17-20-32(2)21-18-27/h5-10,13-18,20-21,23H,3-4,11-12,19,22H2,1-2H3/p+1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50200991
PNG
(1-[2-[2-[1,1-(diphenyl)-1-(4-pyridyl)methoxy]ethox...)
Show SMILES Cc1cn(CCOCCOC(c2ccccc2)(c2ccccc2)c2ccncc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C27H27N3O4/c1-21-20-30(26(32)29-25(21)31)16-17-33-18-19-34-27(22-8-4-2-5-9-22,23-10-6-3-7-11-23)24-12-14-28-15-13-24/h2-15,20H,16-19H2,1H3,(H,29,31,32)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50100412
PNG
(BDBM50206505 | CHEMBL286972 | CHEMBL392957 | Dodec...)
Show SMILES CCCCCCCCCCCC(=O)OC1C(O)C(CO)OC1n1cc(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



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human TK2 assessed as [methyl-3H]dThd phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50100412
PNG
(BDBM50206505 | CHEMBL286972 | CHEMBL392957 | Dodec...)
Show SMILES CCCCCCCCCCCC(=O)OC1C(O)C(CO)OC1n1cc(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)

More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50100409
PNG
(BDBM50206502 | CHEMBL26529 | CHEMBL400410 | Decano...)
Show SMILES CCCCCCCCCC(=O)OC1C(O)C(CO)OC1n1cc(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



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human TK2 assessed as [methyl-3H]dThd phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50100409
PNG
(BDBM50206502 | CHEMBL26529 | CHEMBL400410 | Decano...)
Show SMILES CCCCCCCCCC(=O)OC1C(O)C(CO)OC1n1cc(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)

More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50206484
PNG
((2R,3S,4R,5R)-2-(5-((E)-2-bromovinyl)-2,4-dioxo-3,...)
Show SMILES CCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C=CBr)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)/t15-,17-,18+,20-/m1/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast mitochondrial TK2 using dThd substrate


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50206491
PNG
(1-beta-D-arabinofuranosyl-5-(2-bromovinyl)uracil |...)
Show SMILES OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n1cc(C=CBr)c(=O)[nH]c1=O
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



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human TK2 assessed as [methyl-3H]dThd phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50366680
PNG
(CHEMBL605255)
Show SMILES OC[C@H]1OC([C@@H](O)[C@@H]1O)n1cc(C=CBr)c(=O)[nH]c1=O
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)

More data for this
Ligand-Target Pair
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