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Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with Target = 'Thymidylate kinase' 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
Thymidylate kinase


(Homo sapiens)
BDBM50271535
PNG
(6-(4-((5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H...)
Show SMILES OC(=O)CCCCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C17H19BrN2O4/c18-14-11-20(17(24)19-16(14)23)10-13-8-6-12(7-9-13)4-2-1-3-5-15(21)22/h6-9,11H,1-5,10H2,(H,21,22)(H,19,23,24)
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9.20E+4n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human TMPK


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50359618
PNG
(CHEMBL1928428)
Show SMILES Cc1cn([C@H]2C[C@H](NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H18ClF3N4O5/c1-8-6-26(17(30)25-15(8)28)14-5-12(13(7-27)31-14)24-16(29)23-9-2-3-11(19)10(4-9)18(20,21)22/h2-4,6,12-14,27H,5,7H2,1H3,(H2,23,24,29)(H,25,28,30)/t12-,13+,14+/m0/s1
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9.50E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Competitive inhibition of human TMPK by Lineweaver-Burk analysis


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50271531
PNG
(5-(4-((5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2...)
Show SMILES OC(=O)CCCCc1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C16H17ClN2O4/c17-13-10-19(16(23)18-15(13)22)9-12-7-5-11(6-8-12)3-1-2-4-14(20)21/h5-8,10H,1-4,9H2,(H,20,21)(H,18,22,23)
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1.22E+5n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human TMPK


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM1
PNG
(thymidine)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
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1.80E+5n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human TMPK


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM1
PNG
(thymidine)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
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1.80E+5n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of human TMPK by coupled spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50207303
PNG
(5-BROMO-2'-DEOXY URIDINE | 5-bromo-1-((2R,4S,5R)-4...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(Br)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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2.14E+5n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human TMPK


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50131909
PNG
(1-((2R,4R,5S)-4-aminomethyl-5-hydroxymethyl-tetrah...)
Show SMILES Cc1cn([C@H]2C[C@H](CN)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H17N3O4/c1-6-4-14(11(17)13-10(6)16)9-2-7(3-12)8(5-15)18-9/h4,7-9,15H,2-3,5,12H2,1H3,(H,13,16,17)/t7-,8-,9-/m1/s1
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2.20E+5n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of human TMPK by coupled spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50164421
PNG
(4-[4-(5-Methyl-2,4-dioxo-3,4-dihydro-2H -pyrimidin...)
Show SMILES Cc1cn(Cc2ccc(CCCC(O)=O)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H18N2O4/c1-11-9-18(16(22)17-15(11)21)10-13-7-5-12(6-8-13)3-2-4-14(19)20/h5-9H,2-4,10H2,1H3,(H,19,20)(H,17,21,22)
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2.52E+5n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human TMPK


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50164412
PNG
(4-(5-Bromo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl...)
Show SMILES OC(=O)CCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C15H15BrN2O4/c16-12-9-18(15(22)17-14(12)21)8-11-6-4-10(5-7-11)2-1-3-13(19)20/h4-7,9H,1-3,8H2,(H,19,20)(H,17,21,22)
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2.93E+5n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human TMPK


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50156570
PNG
(1-[3-aminomethyl-3-deoxy-2-O-,6-N-(thiocarbonyl)-b...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@H]3CNC(=S)O[C@@H]23)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H15N3O5S/c1-5-3-15(11(18)14-9(5)17)10-8-6(7(4-16)19-10)2-13-12(21)20-8/h3,6-8,10,16H,2,4H2,1H3,(H,13,21)(H,14,17,18)/t6-,7-,8-,10-/m1/s1
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7.00E+5n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of human TMPK by coupled spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50271448
PNG
(5-[5-Chloro-4-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-...)
Show SMILES OC(=O)CCCc1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C15H15ClN2O4/c16-12-9-18(15(22)17-14(12)21)8-11-6-4-10(5-7-11)2-1-3-13(19)20/h4-7,9H,1-3,8H2,(H,19,20)(H,17,21,22)
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7.90E+5n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human TMPK


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50156572
PNG
(1-[3-C-(azido-methyl)-2,3-dideoxy-beta-D-thereo-pe...)
Show SMILES Cc1cn([C@H]2C[C@H](CN[N+]#N)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H15N5O4/c1-6-4-16(11(19)14-10(6)18)9-2-7(3-13-15-12)8(5-17)20-9/h4,7-9,13,17H,2-3,5H2,1H3/p+1/t7-,8-,9-/m1/s1
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1.04E+6n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of human TMPK by coupled spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50156573
PNG
(1-(3-aminomethyl-2-O-,6-N-carbonyl-3-deoxy-beta-D-...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@H]3CNC(=O)O[C@@H]23)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H15N3O6/c1-5-3-15(11(18)14-9(5)17)10-8-6(7(4-16)20-10)2-13-12(19)21-8/h3,6-8,10,16H,2,4H2,1H3,(H,13,19)(H,14,17,18)/t6-,7-,8-,10-/m1/s1
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1.10E+6n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of human TMPK by coupled spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50365395
PNG
(CHEMBL395814)
Show SMILES OC(=O)c1cc(SSc2ccc(c(c2)C(O)=O)[N+]([O-])=O)ccc1[N+]([O-])=O
Show InChI InChI=1S/C14H8N2O8S2/c17-13(18)9-5-7(1-3-11(9)15(21)22)25-26-8-2-4-12(16(23)24)10(6-8)14(19)20/h1-6H,(H,17,18)(H,19,20)
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n/an/a 1.53E+3n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate kinase using dTMP as substrate after 30 mins by fluorescence analysis


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50367702
PNG
(CHEMBL606084)
Show SMILES Cc1cn(C2C[C@H](O)[C@@H](COP(O)(=O)CP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H33N7O25P6/c1-9-3-27(21(33)26-19(9)32)13-2-10(29)11(48-13)4-46-54(34,35)8-55(36,37)50-57(40,41)52-59(44,45)53-58(42,43)51-56(38,39)47-5-12-15(30)16(31)20(49-12)28-7-25-14-17(22)23-6-24-18(14)28/h3,6-7,10-13,15-16,20,29-31H,2,4-5,8H2,1H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H2,22,23,24)(H,26,32,33)/t10-,11+,12+,13?,15+,16+,20?/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Concentration required to reduce Thymidylate kinase rate by 50% in human blast cells


J Med Chem 31: 1305-8 (1988)

More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50367696
PNG
(CHEMBL605435)
Show SMILES Cc1cn(C2C[C@H](O)[C@@H](COP(O)(=O)CP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H32N7O22P5/c1-9-3-27(21(33)26-19(9)32)13-2-10(29)11(46-13)4-44-51(34,35)8-52(36,37)48-54(40,41)50-55(42,43)49-53(38,39)45-5-12-15(30)16(31)20(47-12)28-7-25-14-17(22)23-6-24-18(14)28/h3,6-7,10-13,15-16,20,29-31H,2,4-5,8H2,1H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H2,22,23,24)(H,26,32,33)/t10-,11+,12+,13?,15+,16+,20?/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Concentration required to reduce Thymidylate kinase rate by 50% in human blast cells


J Med Chem 31: 1305-8 (1988)

More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50367698
PNG
(CHEMBL604405)
Show SMILES Cc1cn(C2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H31N7O26P6/c1-8-3-26(20(32)25-18(8)31)12-2-9(28)10(47-12)4-45-54(33,34)49-56(37,38)51-58(41,42)53-59(43,44)52-57(39,40)50-55(35,36)46-5-11-14(29)15(30)19(48-11)27-7-24-13-16(21)22-6-23-17(13)27/h3,6-7,9-12,14-15,19,28-30H,2,4-5H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,22,23)(H,25,31,32)/t9-,10+,11+,12?,14+,15+,19?/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Concentration required to reduce Thymidylate kinase rate by 50% in human blast cells


J Med Chem 31: 1305-8 (1988)

More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50367700
PNG
(CHEMBL604630)
Show SMILES Cc1cn(C2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H30N7O23P5/c1-8-3-26(20(32)25-18(8)31)12-2-9(28)10(45-12)4-43-51(33,34)47-53(37,38)49-55(41,42)50-54(39,40)48-52(35,36)44-5-11-14(29)15(30)19(46-11)27-7-24-13-16(21)22-6-23-17(13)27/h3,6-7,9-12,14-15,19,28-30H,2,4-5H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,22,23)(H,25,31,32)/t9-,10+,11+,12?,14+,15+,19?/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Concentration required to reduce Thymidylate kinase rate by 50% in human blast cells


J Med Chem 31: 1305-8 (1988)

More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50398957
PNG
(CHEMBL2179281)
Show SMILES CCCCC[C@@H](N1CCC[C@@H](C1)n1cc(C)c(=O)[nH]c1=O)c1ccc(C(O)=O)c(Oc2cccc(Br)c2)c1
Show InChI InChI=1S/C29H34BrN3O5/c1-3-4-5-11-25(32-14-7-9-22(18-32)33-17-19(2)27(34)31-29(33)37)20-12-13-24(28(35)36)26(15-20)38-23-10-6-8-21(30)16-23/h6,8,10,12-13,15-17,22,25H,3-5,7,9,11,14,18H2,1-2H3,(H,35,36)(H,31,34,37)/t22-,25+/m0/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate kinase assessed as effect on ATP production by Escherichia coli DdlA and Malachite green reagent based assay


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50398958
PNG
(CHEMBL2179279)
Show SMILES CCC(C)(C)C[C@@H](N1CCC[C@@H](C1)n1cc(C)c(=O)[nH]c1=O)c1ccc(C(O)=O)c(Oc2cccc(Cl)c2)c1
Show InChI InChI=1S/C30H36ClN3O5/c1-5-30(3,4)16-25(33-13-7-9-22(18-33)34-17-19(2)27(35)32-29(34)38)20-11-12-24(28(36)37)26(14-20)39-23-10-6-8-21(31)15-23/h6,8,10-12,14-15,17,22,25H,5,7,9,13,16,18H2,1-4H3,(H,36,37)(H,32,35,38)/t22-,25+/m0/s1
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n/an/a 4.34E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate kinase assessed as effect on ATP production by Escherichia coli DdlA and Malachite green reagent based assay


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50398959
PNG
(CHEMBL2179277)
Show SMILES Cc1cn([C@H]2CCCN(C2)[C@H](CC(C)(C)C)c2ccc(C(O)=O)c(Oc3cccc(Br)c3)c2)c(=O)[nH]c1=O
Show InChI InChI=1S/C29H34BrN3O5/c1-18-16-33(28(37)31-26(18)34)21-8-6-12-32(17-21)24(15-29(2,3)4)19-10-11-23(27(35)36)25(13-19)38-22-9-5-7-20(30)14-22/h5,7,9-11,13-14,16,21,24H,6,8,12,15,17H2,1-4H3,(H,35,36)(H,31,34,37)/t21-,24+/m0/s1
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n/an/a 6.20E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate kinase assessed as effect on ATP production by Escherichia coli DdlA and Malachite green reagent based assay


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50365393
PNG
(CHEMBL1956669)
Show SMILES Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(=O)NCCCc1ccc(F)cc1
Show InChI InChI=1S/C23H21FN4O2/c1-28-20-13-18(14-26-21(20)27-23(28)30)16-5-2-6-17(12-16)22(29)25-11-3-4-15-7-9-19(24)10-8-15/h2,5-10,12-14H,3-4,11H2,1H3,(H,25,29)(H,26,27,30)
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n/an/a 1.23E+5n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate kinase using dTMP as substrate after 30 mins by fluorescence analysis


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50365394
PNG
(CHEMBL1956676)
Show SMILES Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(=O)NCCCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N4O2/c1-31-20-13-18(14-29-21(20)30-23(31)33)16-5-2-6-17(12-16)22(32)28-11-3-4-15-7-9-19(10-8-15)24(25,26)27/h2,5-10,12-14H,3-4,11H2,1H3,(H,28,32)(H,29,30,33)
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n/an/a 1.24E+5n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate kinase using dTMP as substrate after 30 mins by fluorescence analysis


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50398960
PNG
(CHEMBL2179273)
Show SMILES CCC[C@@H](N1CCC[C@@H](C1)n1cc(C)c(=O)[nH]c1=O)c1ccc(C(O)=O)c(Oc2cccc(Cl)c2)c1
Show InChI InChI=1S/C27H30ClN3O5/c1-3-6-23(30-12-5-8-20(16-30)31-15-17(2)25(32)29-27(31)35)18-10-11-22(26(33)34)24(13-18)36-21-9-4-7-19(28)14-21/h4,7,9-11,13-15,20,23H,3,5-6,8,12,16H2,1-2H3,(H,33,34)(H,29,32,35)/t20-,23+/m0/s1
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n/an/a 1.50E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate kinase assessed as effect on ATP production by Escherichia coli DdlA and Malachite green reagent based assay


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50398961
PNG
(CHEMBL2179269)
Show SMILES C[C@@H](N1CCC[C@@H](C1)n1cc(C)c(=O)[nH]c1=O)c1ccc(C(O)=O)c(Oc2cccc(Cl)c2)c1
Show InChI InChI=1S/C25H26ClN3O5/c1-15-13-29(25(33)27-23(15)30)19-6-4-10-28(14-19)16(2)17-8-9-21(24(31)32)22(11-17)34-20-7-3-5-18(26)12-20/h3,5,7-9,11-13,16,19H,4,6,10,14H2,1-2H3,(H,31,32)(H,27,30,33)/t16-,19+/m1/s1
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n/an/a 1.50E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate kinase assessed as effect on ATP production by Escherichia coli DdlA and Malachite green reagent based assay


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50428613
PNG
(CHEMBL2331747)
Show SMILES Cc1cn([C@H]2CCCN(C2)S(=O)(=O)c2ccc(O)c(Oc3cccc(Cl)c3)c2)c(=O)[nH]c1=O
Show InChI InChI=1S/C22H22ClN3O6S/c1-14-12-26(22(29)24-21(14)28)16-5-3-9-25(13-16)33(30,31)18-7-8-19(27)20(11-18)32-17-6-2-4-15(23)10-17/h2,4,6-8,10-12,16,27H,3,5,9,13H2,1H3,(H,24,28,29)/t16-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50365392
PNG
(CHEMBL1956668)
Show SMILES Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C23H22N4O2/c1-27-20-14-19(15-25-21(20)26-23(27)29)17-10-5-11-18(13-17)22(28)24-12-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,13-15H,6,9,12H2,1H3,(H,24,28)(H,25,26,29)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate kinase using dTMP as substrate after 30 mins by fluorescence analysis


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50365391
PNG
(CHEMBL1956642)
Show SMILES Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C14H12N4O2/c1-18-11-6-10(7-16-13(11)17-14(18)20)8-3-2-4-9(5-8)12(15)19/h2-7H,1H3,(H2,15,19)(H,16,17,20)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate kinase using dTMP as substrate after 30 mins by fluorescence analysis


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50365390
PNG
(CHEMBL1956634)
Show SMILES Cn1c2cc(cnc2[nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C13H11N3O/c1-16-11-7-10(9-5-3-2-4-6-9)8-14-12(11)15-13(16)17/h2-8H,1H3,(H,14,15,17)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate kinase using dTMP as substrate after 30 mins by fluorescence analysis


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50398962
PNG
(CHEMBL2179669)
Show SMILES Cc1cn([C@H]2CCCN(Cc3ccc(C(O)=O)c(Oc4cccc(c4)C(F)(F)F)c3)C2)c(=O)[nH]c1=O
Show InChI InChI=1S/C25H24F3N3O5/c1-15-12-31(24(35)29-22(15)32)18-5-3-9-30(14-18)13-16-7-8-20(23(33)34)21(10-16)36-19-6-2-4-17(11-19)25(26,27)28/h2,4,6-8,10-12,18H,3,5,9,13-14H2,1H3,(H,33,34)(H,29,32,35)/t18-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate kinase assessed as effect on ATP production by Escherichia coli DdlA and Malachite green reagent based assay


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50367703
PNG
(CHEMBL603793)
Show SMILES Cc1cn(C2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H29N7O20P4/c1-8-3-26(20(32)25-18(8)31)12-2-9(28)10(43-12)4-41-48(33,34)45-50(37,38)47-51(39,40)46-49(35,36)42-5-11-14(29)15(30)19(44-11)27-7-24-13-16(21)22-6-23-17(13)27/h3,6-7,9-12,14-15,19,28-30H,2,4-5H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H2,21,22,23)(H,25,31,32)/t9-,10+,11+,12?,14+,15+,19?/m0/s1
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n/an/a 2.90E+5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Concentration required to reduce Thymidylate kinase rate by 50% in human blast cells


J Med Chem 31: 1305-8 (1988)

More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50367697
PNG
(CHEMBL606301)
Show SMILES Cc1cn(C2C[C@H](O)[C@@H](COP(O)(=O)CP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H31N7O19P4/c1-9-3-27(21(33)26-19(9)32)13-2-10(29)11(44-13)4-42-48(34,35)8-49(36,37)46-51(40,41)47-50(38,39)43-5-12-15(30)16(31)20(45-12)28-7-25-14-17(22)23-6-24-18(14)28/h3,6-7,10-13,15-16,20,29-31H,2,4-5,8H2,1H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41)(H2,22,23,24)(H,26,32,33)/t10-,11+,12+,13?,15+,16+,20?/m0/s1
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n/an/a 3.40E+5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Concentration required to reduce Thymidylate kinase rate by 50% in human blast cells


J Med Chem 31: 1305-8 (1988)

More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50367704
PNG
(CHEMBL604419)
Show SMILES Cc1cn(C2C[C@H](O)[C@@H](COP(O)(=O)CP(O)(=O)OP(O)(=O)OC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H30N7O16P3/c1-9-3-27(21(33)26-19(9)32)13-2-10(29)11(42-13)4-40-45(34,35)8-46(36,37)44-47(38,39)41-5-12-15(30)16(31)20(43-12)28-7-25-14-17(22)23-6-24-18(14)28/h3,6-7,10-13,15-16,20,29-31H,2,4-5,8H2,1H3,(H,34,35)(H,36,37)(H,38,39)(H2,22,23,24)(H,26,32,33)/t10-,11+,12+,13?,15+,16+,20?/m0/s1
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n/an/a 7.30E+5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Concentration required to reduce Thymidylate kinase rate by 50% in human blast cells


J Med Chem 31: 1305-8 (1988)

More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50367699
PNG
(CHEMBL604420)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COP(O)(O)OP(O)(O)OP(O)(O)OP(O)(O)OP(O)(O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H39N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-44,53-57H,1-2H2,(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19?,20?/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Concentration required to reduce Thymidylate kinase rate by 50% in human blast cells


J Med Chem 31: 1305-8 (1988)

More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens)
BDBM50367701
PNG
(CHEMBL605228)
Show SMILES Cc1cn(C2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H28N7O17P3/c1-8-3-26(20(32)25-18(8)31)12-2-9(28)10(41-12)4-39-45(33,34)43-47(37,38)44-46(35,36)40-5-11-14(29)15(30)19(42-11)27-7-24-13-16(21)22-6-23-17(13)27/h3,6-7,9-12,14-15,19,28-30H,2,4-5H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H2,21,22,23)(H,25,31,32)/t9-,10+,11+,12?,14+,15+,19?/m0/s1
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n/an/a 1.23E+6n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Concentration required to reduce Thymidylate kinase rate by 50% in human blast cells


J Med Chem 31: 1305-8 (1988)

More data for this
Ligand-Target Pair