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Compile Data Set for Download or QSAR

Found 36 hits of ki for UniProtKB: P27158   
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, cytosolic


(Rattus norvegicus)
BDBM50132297
PNG
(1-((2R,4S,5R)-5-(aminomethyl)-4-hydroxy-tetrahydro...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CN)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H15N3O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3,11H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic Thymidine kinase


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50205415
PNG
(({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-...)
Show SMILES Cc1cn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H17N2O15P3/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(25-9)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1
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3.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the mixed objective Non-competitive inhibition constant Ki against TdR varied rat mitochondrial thymidine kinase


J Med Chem 25: 801-5 (1982)


BindingDB Entry DOI: 10.7270/Q2BZ66M6
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50404860
PNG
(CHEMBL2111285)
Show SMILES CCOC1N([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC(=O)C1(C)Br |r|
Show InChI InChI=1S/C12H19BrN2O6/c1-3-20-10-12(2,13)9(18)14-11(19)15(10)8-4-6(17)7(5-16)21-8/h6-8,10,16-17H,3-5H2,1-2H3,(H,14,18,19)/t6-,7+,8+,10?,12?/m0/s1
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3.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50404860
PNG
(CHEMBL2111285)
Show SMILES CCOC1N([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC(=O)C1(C)Br |r|
Show InChI InChI=1S/C12H19BrN2O6/c1-3-20-10-12(2,13)9(18)14-11(19)15(10)8-4-6(17)7(5-16)21-8/h6-8,10,16-17H,3-5H2,1-2H3,(H,14,18,19)/t6-,7+,8+,10?,12?/m0/s1
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3.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50367095
PNG
(CHEMBL607917)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)Cc2cn(C3C[C@H](O)[C@@H](CO)O3)c(=O)[nH]c2=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C20H28N7O17P3/c21-16-13-17(23-6-22-16)27(7-24-13)19-15(31)14(30)11(42-19)4-40-46(36,37)44-47(38,39)43-45(34,35)5-8-2-26(20(33)25-18(8)32)12-1-9(29)10(3-28)41-12/h2,6-7,9-12,14-15,19,28-31H,1,3-5H2,(H,34,35)(H,36,37)(H,38,39)(H2,21,22,23)(H,25,32,33)/t9-,10+,11+,12?,14+,15+,19?/m0/s1
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5.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the competitive inhibition constant Ki against ATP varied rat mitochondrial thymidine kinase


J Med Chem 25: 801-5 (1982)


BindingDB Entry DOI: 10.7270/Q2BZ66M6
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50205415
PNG
(({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-...)
Show SMILES Cc1cn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H17N2O15P3/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(25-9)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1
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6.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the Non-competitive inhibition constant Ki against TdR varied rat cytoplasmic soluble thymidine kinase


J Med Chem 25: 801-5 (1982)


BindingDB Entry DOI: 10.7270/Q2BZ66M6
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50404860
PNG
(CHEMBL2111285)
Show SMILES CCOC1N([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC(=O)C1(C)Br |r|
Show InChI InChI=1S/C12H19BrN2O6/c1-3-20-10-12(2,13)9(18)14-11(19)15(10)8-4-6(17)7(5-16)21-8/h6-8,10,16-17H,3-5H2,1-2H3,(H,14,18,19)/t6-,7+,8+,10?,12?/m0/s1
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1.10E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat mitochondrial thymidine kinase


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50028586
PNG
(1-(4-Benzyloxy-5-hydroxymethyl-tetrahydro-furan-2-...)
Show SMILES Cc1cn([C@H]2C[C@H](OCc3ccccc3)[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H20N2O5/c1-11-8-19(17(22)18-16(11)21)15-7-13(14(9-20)24-15)23-10-12-5-3-2-4-6-12/h2-6,8,13-15,20H,7,9-10H2,1H3,(H,18,21,22)
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1.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic thymidine kinase


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50028587
PNG
(1-(4-Ethylsulfanyl-5-hydroxymethyl-tetrahydro-fura...)
Show SMILES CCSC1CC(OC1CO)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H18N2O4S/c1-3-19-9-4-10(18-8(9)6-15)14-5-7(2)11(16)13-12(14)17/h5,8-10,15H,3-4,6H2,1-2H3,(H,13,16,17)
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2.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic Thymidine kinase


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50028581
PNG
(1-(5-Hexylaminomethyl-4-hydroxy-tetrahydro-furan-2...)
Show SMILES CCCCCCNCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H27N3O4/c1-3-4-5-6-7-17-9-13-12(20)8-14(23-13)19-10-11(2)15(21)18-16(19)22/h10,12-14,17,20H,3-9H2,1-2H3,(H,18,21,22)
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3.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic Thymidine kinase


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50000969
PNG
(CHEMBL3143490)
Show SMILES CCCCCn1c(=O)c(C)cn([C@H]2C[C@H](O)[C@@H](CO)O2)c1=O |r|
Show InChI InChI=1S/C15H24N2O5/c1-3-4-5-6-16-14(20)10(2)8-17(15(16)21)13-7-11(19)12(9-18)22-13/h8,11-13,18-19H,3-7,9H2,1-2H3/t11-,12+,13+/m0/s1
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3.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic Thymidine kinase


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50028574
PNG
(1-(4-Ethoxy-5-hydroxymethyl-tetrahydro-furan-2-yl)...)
Show SMILES CCO[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H18N2O5/c1-3-18-8-4-10(19-9(8)6-15)14-5-7(2)11(16)13-12(14)17/h5,8-10,15H,3-4,6H2,1-2H3,(H,13,16,17)
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3.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat Mitochondrial thymidine kinase


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50028576
PNG
(1-(5-Ethylaminomethyl-4-hydroxy-tetrahydro-furan-2...)
Show SMILES CCNCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H19N3O4/c1-3-13-5-9-8(16)4-10(19-9)15-6-7(2)11(17)14-12(15)18/h6,8-10,13,16H,3-5H2,1-2H3,(H,14,17,18)
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4.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic Thymidine kinase


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50028579
PNG
(1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl...)
Show SMILES CSc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N2O5S/c1-18-7-3-12(10(16)11-9(7)15)8-2-5(14)6(4-13)17-8/h3,5-6,8,13-14H,2,4H2,1H3,(H,11,15,16)
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5.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic Thymidine kinase


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50028574
PNG
(1-(4-Ethoxy-5-hydroxymethyl-tetrahydro-furan-2-yl)...)
Show SMILES CCO[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H18N2O5/c1-3-18-8-4-10(19-9(8)6-15)14-5-7(2)11(16)13-12(14)17/h5,8-10,15H,3-4,6H2,1-2H3,(H,13,16,17)
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5.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibition against rat mitochondrial thymidine kinase


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50367095
PNG
(CHEMBL607917)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)Cc2cn(C3C[C@H](O)[C@@H](CO)O3)c(=O)[nH]c2=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C20H28N7O17P3/c21-16-13-17(23-6-22-16)27(7-24-13)19-15(31)14(30)11(42-19)4-40-46(36,37)44-47(38,39)43-45(34,35)5-8-2-26(20(33)25-18(8)32)12-1-9(29)10(3-28)41-12/h2,6-7,9-12,14-15,19,28-31H,1,3-5H2,(H,34,35)(H,36,37)(H,38,39)(H2,21,22,23)(H,25,32,33)/t9-,10+,11+,12?,14+,15+,19?/m0/s1
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1.40E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the mixed objective Non-competitive inhibition constant Ki against TdR varied rat mitochondrial thymidine kinase


J Med Chem 25: 801-5 (1982)


BindingDB Entry DOI: 10.7270/Q2BZ66M6
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50028588
PNG
(1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n(C)c1=O |r|
Show InChI InChI=1S/C11H16N2O5/c1-6-4-13(11(17)12(2)10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,3,5H2,1-2H3
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2.50E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50367095
PNG
(CHEMBL607917)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)Cc2cn(C3C[C@H](O)[C@@H](CO)O3)c(=O)[nH]c2=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C20H28N7O17P3/c21-16-13-17(23-6-22-16)27(7-24-13)19-15(31)14(30)11(42-19)4-40-46(36,37)44-47(38,39)43-45(34,35)5-8-2-26(20(33)25-18(8)32)12-1-9(29)10(3-28)41-12/h2,6-7,9-12,14-15,19,28-31H,1,3-5H2,(H,34,35)(H,36,37)(H,38,39)(H2,21,22,23)(H,25,32,33)/t9-,10+,11+,12?,14+,15+,19?/m0/s1
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2.60E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the mixed objective Non-competitive inhibition constant Ki against ATP varied cytoplasmic soluble thymidine kinase


J Med Chem 25: 801-5 (1982)


BindingDB Entry DOI: 10.7270/Q2BZ66M6
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50028577
PNG
(3-Benzyl-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-f...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n(Cc2ccccc2)c1=O |r|
Show InChI InChI=1S/C17H20N2O5/c1-11-8-18(15-7-13(21)14(10-20)24-15)17(23)19(16(11)22)9-12-5-3-2-4-6-12/h2-6,8,13-15,20-21H,7,9-10H2,1H3
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3.20E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic thymidine kinase


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50000966
PNG
(CHEMBL3143491)
Show SMILES Nc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H13N3O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3,10H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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3.70E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic Thymidine kinase


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50132294
PNG
(1-((2R,4S,5S)-4-amino-5-(hydroxymethyl)-tetrahydro...)
Show SMILES Cc1cn([C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4,11H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
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3.80E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic Thymidine kinase


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50018445
PNG
(1-((2R,5S)-5-(hydroxymethyl)-tetrahydrofuran-2-yl)...)
Show SMILES Cc1cn([C@H]2CC[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
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4.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic Thymidine kinase


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50028584
PNG
(1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl...)
Show SMILES C\C=C\c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H16N2O5/c1-2-3-7-5-14(12(18)13-11(7)17)10-4-8(16)9(6-15)19-10/h2-3,5,8-10,15-16H,4,6H2,1H3,(H,13,17,18)
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5.10E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic Thymidine kinase


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50028580
PNG
(1-[4-Hydroxy-5-(2-hydroxy-ethylsulfanylmethyl)-tet...)
Show SMILES Cc1cn(C2CC(O)C(CSCCO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H18N2O5S/c1-7-5-14(12(18)13-11(7)17)10-4-8(16)9(19-10)6-20-3-2-15/h5,8-10,15-16H,2-4,6H2,1H3,(H,13,17,18)
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8.20E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic Thymidine kinase


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50028592
PNG
(4-Amino-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-fu...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N |r|
Show InChI InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)11)8-2-6(15)7(4-14)17-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,16)
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1.30E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic Thymidine kinase


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50367095
PNG
(CHEMBL607917)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)Cc2cn(C3C[C@H](O)[C@@H](CO)O3)c(=O)[nH]c2=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C20H28N7O17P3/c21-16-13-17(23-6-22-16)27(7-24-13)19-15(31)14(30)11(42-19)4-40-46(36,37)44-47(38,39)43-45(34,35)5-8-2-26(20(33)25-18(8)32)12-1-9(29)10(3-28)41-12/h2,6-7,9-12,14-15,19,28-31H,1,3-5H2,(H,34,35)(H,36,37)(H,38,39)(H2,21,22,23)(H,25,32,33)/t9-,10+,11+,12?,14+,15+,19?/m0/s1
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1.50E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the mixed objective Non-competitive inhibition constant Ki against TdR varied rat cytoplasmic soluble thymidine kinase


J Med Chem 25: 801-5 (1982)


BindingDB Entry DOI: 10.7270/Q2BZ66M6
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50013111
PNG
(1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O |r,c:9|
Show InChI InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
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1.70E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic Thymidine kinase


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50028578
PNG
(CHEMBL160499 | N-[2-Hydroxymethyl-5-(5-methyl-2,4-...)
Show SMILES CC(=O)NC1CC(OC1CO)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H17N3O5/c1-6-4-15(12(19)14-11(6)18)10-3-8(13-7(2)17)9(5-16)20-10/h4,8-10,16H,3,5H2,1-2H3,(H,13,17)(H,14,18,19)
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1.80E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive inhibition against rat mitochondrial thymidine kinase


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50028592
PNG
(4-Amino-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-fu...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N |r|
Show InChI InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)11)8-2-6(15)7(4-14)17-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,16)
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2.10E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic Thymidine kinase


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50028585
PNG
(4-Amino-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-fu...)
Show SMILES Nc1nc(=O)n(cc1I)[C@H]1C[C@H](O)[C@@H](CO)O1
Show InChI InChI=1S/C9H12IN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)
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3.50E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the rat muscle adenylate kinase (AK II) isozyme in competition with the AMP varied


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50028578
PNG
(CHEMBL160499 | N-[2-Hydroxymethyl-5-(5-methyl-2,4-...)
Show SMILES CC(=O)NC1CC(OC1CO)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H17N3O5/c1-6-4-15(12(19)14-11(6)18)10-3-8(13-7(2)17)9(5-16)20-10/h4,8-10,16H,3,5H2,1-2H3,(H,13,17)(H,14,18,19)
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3.50E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50028590
PNG
(4-[3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-...)
Show SMILES Cc1cn(C2CC(O)C(CSCCCC(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H20N2O6S/c1-8-6-16(14(21)15-13(8)20)11-5-9(17)10(22-11)7-23-4-2-3-12(18)19/h6,9-11,17H,2-5,7H2,1H3,(H,18,19)(H,15,20,21)
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3.60E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the rat muscle adenylate kinase(AK II) isozyme in competition with the ATP varied


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50028590
PNG
(4-[3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-...)
Show SMILES Cc1cn(C2CC(O)C(CSCCCC(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H20N2O6S/c1-8-6-16(14(21)15-13(8)20)11-5-9(17)10(22-11)7-23-4-2-3-12(18)19/h6,9-11,17H,2-5,7H2,1H3,(H,18,19)(H,15,20,21)
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8.50E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibition against rat mitochondrial thymidine kinase


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50028585
PNG
(4-Amino-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-fu...)
Show SMILES Nc1nc(=O)n(cc1I)[C@H]1C[C@H](O)[C@@H](CO)O1
Show InChI InChI=1S/C9H12IN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)
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1.14E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive inhibition against rat mitochondrial thymidine kinase


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50028584
PNG
(1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl...)
Show SMILES C\C=C\c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H16N2O5/c1-2-3-7-5-14(12(18)13-11(7)17)10-4-8(16)9(6-15)19-10/h2-3,5,8-10,15-16H,4,6H2,1H3,(H,13,17,18)
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1.55E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic Thymidine kinase


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50028588
PNG
(1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n(C)c1=O |r|
Show InChI InChI=1S/C11H16N2O5/c1-6-4-13(11(17)12(2)10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,3,5H2,1-2H3
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2.80E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibition against rat mitochondrial thymidine kinase


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair