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Compile Data Set for Download or QSAR

Found 44 hits of ki data for polymerid = 50006217   
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
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400445
PNG
(CHEMBL2179048)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccc(cc3)[N+]([O-])=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H19N5O7/c1-9-8-21(17(26)20-15(9)24)14-6-12(23)13(29-14)7-18-16(25)19-10-2-4-11(5-3-10)22(27)28/h2-5,8,12-14,23H,6-7H2,1H3,(H2,18,19,25)(H,20,24,26)/t12-,13+,14+/m0/s1
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1.10E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400466
PNG
(CHEMBL2178479)
Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccc(cc3)[N+]([O-])=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H19N5O7/c1-9-8-21(17(26)20-15(9)24)14-6-12(23)13(29-14)7-18-16(25)19-10-2-4-11(5-3-10)22(27)28/h2-5,8,12-14,23H,6-7H2,1H3,(H2,18,19,25)(H,20,24,26)/t12-,13+,14-/m0/s1
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1.10E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400454
PNG
(CHEMBL2179039)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccc(Cl)cc3)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H19ClN4O5/c1-9-8-22(17(26)21-15(9)24)14-6-12(23)13(27-14)7-19-16(25)20-11-4-2-10(18)3-5-11/h2-5,8,12-14,23H,6-7H2,1H3,(H2,19,20,25)(H,21,24,26)/t12-,13+,14+/m0/s1
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1.40E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400452
PNG
(CHEMBL2179041)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccc(Br)cc3)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H19BrN4O5/c1-9-8-22(17(26)21-15(9)24)14-6-12(23)13(27-14)7-19-16(25)20-11-4-2-10(18)3-5-11/h2-5,8,12-14,23H,6-7H2,1H3,(H2,19,20,25)(H,21,24,26)/t12-,13+,14+/m0/s1
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1.50E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50359622
PNG
(CHEMBL1928432)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H18ClF3N4O4S/c1-8-7-26(17(29)25-15(8)28)14-5-12(27)13(30-14)6-23-16(31)24-9-2-3-11(19)10(4-9)18(20,21)22/h2-4,7,12-14,27H,5-6H2,1H3,(H2,23,24,31)(H,25,28,29)/t12-,13+,14+/m0/s1
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2.50E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400446
PNG
(CHEMBL2179047)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H18ClF3N4O5/c1-8-7-26(17(30)25-15(8)28)14-5-12(27)13(31-14)6-23-16(29)24-9-2-3-11(19)10(4-9)18(20,21)22/h2-4,7,12-14,27H,5-6H2,1H3,(H2,23,24,29)(H,25,28,30)/t12-,13+,14+/m0/s1
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2.70E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400455
PNG
(CHEMBL2179038)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Nc3cccc(Cl)c3)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H19ClN4O5/c1-9-8-22(17(26)21-15(9)24)14-6-12(23)13(27-14)7-19-16(25)20-11-4-2-3-10(18)5-11/h2-5,8,12-14,23H,6-7H2,1H3,(H2,19,20,25)(H,21,24,26)/t12-,13+,14+/m0/s1
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2.80E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50223806
PNG
(CHEMBL392137 | N-(5'-deoxy-alpha-D-thymidin-5'-yl)...)
Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H18ClF3N4O4S/c1-8-7-26(17(29)25-15(8)28)14-5-12(27)13(30-14)6-23-16(31)24-9-2-3-11(19)10(4-9)18(20,21)22/h2-4,7,12-14,27H,5-6H2,1H3,(H2,23,24,31)(H,25,28,29)/t12-,13+,14-/m0/s1
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3.10E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400451
PNG
(CHEMBL2179042)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(Br)cc3)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H19BrN4O4S/c1-9-8-22(17(25)21-15(9)24)14-6-12(23)13(26-14)7-19-16(27)20-11-4-2-10(18)3-5-11/h2-5,8,12-14,23H,6-7H2,1H3,(H2,19,20,27)(H,21,24,25)/t12-,13+,14+/m0/s1
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3.20E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400453
PNG
(CHEMBL2179040)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(Cl)cc3)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H19ClN4O4S/c1-9-8-22(17(25)21-15(9)24)14-6-12(23)13(26-14)7-19-16(27)20-11-4-2-10(18)3-5-11/h2-5,8,12-14,23H,6-7H2,1H3,(H2,19,20,27)(H,21,24,25)/t12-,13+,14+/m0/s1
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3.70E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400447
PNG
(CHEMBL2179046)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccc(cc3)C(C)(C)C)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C21H28N4O5/c1-12-11-25(20(29)24-18(12)27)17-9-15(26)16(30-17)10-22-19(28)23-14-7-5-13(6-8-14)21(2,3)4/h5-8,11,15-17,26H,9-10H2,1-4H3,(H2,22,23,28)(H,24,27,29)/t15-,16+,17+/m0/s1
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4.70E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400448
PNG
(CHEMBL2179045)
Show SMILES COc1ccc(NC(=O)NC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)cc1 |r|
Show InChI InChI=1S/C18H22N4O6/c1-10-9-22(18(26)21-16(10)24)15-7-13(23)14(28-15)8-19-17(25)20-11-3-5-12(27-2)6-4-11/h3-6,9,13-15,23H,7-8H2,1-2H3,(H2,19,20,25)(H,21,24,26)/t13-,14+,15+/m0/s1
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5.00E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400456
PNG
(CHEMBL2179037)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccccc3Cl)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H19ClN4O5/c1-9-8-22(17(26)21-15(9)24)14-6-12(23)13(27-14)7-19-16(25)20-11-5-3-2-4-10(11)18/h2-5,8,12-14,23H,6-7H2,1H3,(H2,19,20,25)(H,21,24,26)/t12-,13+,14+/m0/s1
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5.20E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400457
PNG
(CHEMBL2179036)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccccc3)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H20N4O5/c1-10-9-21(17(25)20-15(10)23)14-7-12(22)13(26-14)8-18-16(24)19-11-5-3-2-4-6-11/h2-6,9,12-14,22H,7-8H2,1H3,(H2,18,19,24)(H,20,23,25)/t12-,13+,14+/m0/s1
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6.00E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400459
PNG
(CHEMBL2179034)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)NCc3ccccc3)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H22N4O5/c1-11-10-22(18(26)21-16(11)24)15-7-13(23)14(27-15)9-20-17(25)19-8-12-5-3-2-4-6-12/h2-6,10,13-15,23H,7-9H2,1H3,(H2,19,20,25)(H,21,24,26)/t13-,14+,15+/m0/s1
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6.40E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400471
PNG
(CHEMBL2178506)
Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(Br)cc3)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H19BrN4O4S/c1-9-8-22(17(25)21-15(9)24)14-6-12(23)13(26-14)7-19-16(27)20-11-4-2-10(18)3-5-11/h2-5,8,12-14,23H,6-7H2,1H3,(H2,19,20,27)(H,21,24,25)/t12-,13+,14-/m0/s1
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6.50E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400449
PNG
(CHEMBL2179044)
Show SMILES COc1cccc(NC(=O)NC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)c1 |r|
Show InChI InChI=1S/C18H22N4O6/c1-10-9-22(18(26)21-16(10)24)15-7-13(23)14(28-15)8-19-17(25)20-11-4-3-5-12(6-11)27-2/h3-6,9,13-15,23H,7-8H2,1-2H3,(H2,19,20,25)(H,21,24,26)/t13-,14+,15+/m0/s1
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6.90E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50223798
PNG
(CHEMBL391451 | N-(5'-deoxy-alpha-D-thymidin-5'-yl)...)
Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H18ClF3N4O5/c1-8-7-26(17(30)25-15(8)28)14-5-12(27)13(31-14)6-23-16(29)24-9-2-3-11(19)10(4-9)18(20,21)22/h2-4,7,12-14,27H,5-6H2,1H3,(H2,23,24,29)(H,25,28,30)/t12-,13+,14-/m0/s1
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8.80E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50223805
PNG
(CHEMBL442081 | N'-(4-chlorophenyl)-N-(5'-deoxy-alp...)
Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(Cl)cc3)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H19ClN4O4S/c1-9-8-22(17(25)21-15(9)24)14-6-12(23)13(26-14)7-19-16(27)20-11-4-2-10(18)3-5-11/h2-5,8,12-14,23H,6-7H2,1H3,(H2,19,20,27)(H,21,24,25)/t12-,13+,14-/m0/s1
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9.00E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400474
PNG
(CHEMBL2178504)
Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)Nc3cccc(Cl)c3)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H19ClN4O5/c1-9-8-22(17(26)21-15(9)24)14-6-12(23)13(27-14)7-19-16(25)20-11-4-2-3-10(18)5-11/h2-5,8,12-14,23H,6-7H2,1H3,(H2,19,20,25)(H,21,24,26)/t12-,13+,14-/m0/s1
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1.06E+5n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400450
PNG
(CHEMBL2179043)
Show SMILES COc1ccccc1NC(=O)NC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H22N4O6/c1-10-9-22(18(26)21-16(10)24)15-7-12(23)14(28-15)8-19-17(25)20-11-5-3-4-6-13(11)27-2/h3-6,9,12,14-15,23H,7-8H2,1-2H3,(H2,19,20,25)(H,21,24,26)/t12-,14+,15+/m0/s1
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1.07E+5n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400473
PNG
(CHEMBL2177119)
Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccc(Cl)cc3)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H19ClN4O5/c1-9-8-22(17(26)21-15(9)24)14-6-12(23)13(27-14)7-19-16(25)20-11-4-2-10(18)3-5-11/h2-5,8,12-14,23H,6-7H2,1H3,(H2,19,20,25)(H,21,24,26)/t12-,13+,14-/m0/s1
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1.14E+5n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400468
PNG
(CHEMBL2178477)
Show SMILES COc1ccc(NC(=O)NC[C@H]2O[C@@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)cc1 |r|
Show InChI InChI=1S/C18H22N4O6/c1-10-9-22(18(26)21-16(10)24)15-7-13(23)14(28-15)8-19-17(25)20-11-3-5-12(27-2)6-4-11/h3-6,9,13-15,23H,7-8H2,1-2H3,(H2,19,20,25)(H,21,24,26)/t13-,14+,15-/m0/s1
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1.32E+5n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400470
PNG
(CHEMBL2178507)
Show SMILES COc1ccccc1NC(=O)NC[C@H]1O[C@@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H22N4O6/c1-10-9-22(18(26)21-16(10)24)15-7-12(23)14(28-15)8-19-17(25)20-11-5-3-4-6-13(11)27-2/h3-6,9,12,14-15,23H,7-8H2,1-2H3,(H2,19,20,25)(H,21,24,26)/t12-,14+,15-/m0/s1
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1.38E+5n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400469
PNG
(CHEMBL2178508)
Show SMILES COc1cccc(NC(=O)NC[C@H]2O[C@@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)c1 |r|
Show InChI InChI=1S/C18H22N4O6/c1-10-9-22(18(26)21-16(10)24)15-7-13(23)14(28-15)8-19-17(25)20-11-4-3-5-12(6-11)27-2/h3-6,9,13-15,23H,7-8H2,1-2H3,(H2,19,20,25)(H,21,24,26)/t13-,14+,15-/m0/s1
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1.59E+5n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400476
PNG
(CHEMBL2178502)
Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccccc3)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H20N4O5/c1-10-9-21(17(25)20-15(10)23)14-7-12(22)13(26-14)8-18-16(24)19-11-5-3-2-4-6-11/h2-6,9,12-14,22H,7-8H2,1H3,(H2,18,19,24)(H,20,23,25)/t12-,13+,14-/m0/s1
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1.66E+5n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400467
PNG
(CHEMBL2178478)
Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccc(cc3)C(C)(C)C)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C21H28N4O5/c1-12-11-25(20(29)24-18(12)27)17-9-15(26)16(30-17)10-22-19(28)23-14-7-5-13(6-8-14)21(2,3)4/h5-8,11,15-17,26H,9-10H2,1-4H3,(H2,22,23,28)(H,24,27,29)/t15-,16+,17-/m0/s1
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1.67E+5n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400478
PNG
(CHEMBL2178500)
Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)NCc3ccccc3)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H22N4O5/c1-11-10-22(18(26)21-16(11)24)15-7-13(23)14(27-15)9-20-17(25)19-8-12-5-3-2-4-6-12/h2-6,10,13-15,23H,7-9H2,1H3,(H2,19,20,25)(H,21,24,26)/t13-,14+,15-/m0/s1
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1.98E+5n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400460
PNG
(CHEMBL2179033)
Show SMILES CCOC(=O)CCNC(=O)NC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C16H24N4O7/c1-3-26-13(22)4-5-17-15(24)18-7-11-10(21)6-12(27-11)20-8-9(2)14(23)19-16(20)25/h8,10-12,21H,3-7H2,1-2H3,(H2,17,18,24)(H,19,23,25)/t10-,11+,12+/m0/s1
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2.01E+5n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400475
PNG
(CHEMBL2178503)
Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccccc3Cl)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H19ClN4O5/c1-9-8-22(17(26)21-15(9)24)14-6-12(23)13(27-14)7-19-16(25)20-11-5-3-2-4-10(11)18/h2-5,8,12-14,23H,6-7H2,1H3,(H2,19,20,25)(H,21,24,26)/t12-,13+,14-/m0/s1
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2.05E+5n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400458
PNG
(CHEMBL2179035)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Nc3cccnc3)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C16H19N5O5/c1-9-8-21(16(25)20-14(9)23)13-5-11(22)12(26-13)7-18-15(24)19-10-3-2-4-17-6-10/h2-4,6,8,11-13,22H,5,7H2,1H3,(H2,18,19,24)(H,20,23,25)/t11-,12+,13+/m0/s1
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2.22E+5n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400462
PNG
(CHEMBL2179031)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)c3ccc(cc3)[N+]([O-])=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H18N4O7/c1-9-8-20(17(25)19-15(9)23)14-6-12(22)13(28-14)7-18-16(24)10-2-4-11(5-3-10)21(26)27/h2-5,8,12-14,22H,6-7H2,1H3,(H,18,24)(H,19,23,25)/t12-,13+,14+/m0/s1
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3.02E+5n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400481
PNG
(CHEMBL2178497)
Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)C3=CCC(C=C3)[N+]([O-])=O)O2)c(=O)[nH]c1=O |r,c:17,t:13|
Show InChI InChI=1S/C17H20N4O7/c1-9-8-20(17(25)19-15(9)23)14-6-12(22)13(28-14)7-18-16(24)10-2-4-11(5-3-10)21(26)27/h2-4,8,11-14,22H,5-7H2,1H3,(H,18,24)(H,19,23,25)/t11?,12-,13+,14-/m0/s1
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5.41E+5n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400482
PNG
(CHEMBL2178496)
Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)c3ccc4ccccc4c3)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C21H21N3O5/c1-12-11-24(21(28)23-19(12)26)18-9-16(25)17(29-18)10-22-20(27)15-7-6-13-4-2-3-5-14(13)8-15/h2-8,11,16-18,25H,9-10H2,1H3,(H,22,27)(H,23,26,28)/t16-,17+,18-/m0/s1
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5.41E+5n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400461
PNG
(CHEMBL2179032)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CNCC3=CCC(C=C3)[N+]([O-])=O)O2)c(=O)[nH]c1=O |r,c:16,t:12|
Show InChI InChI=1S/C17H22N4O6/c1-10-9-20(17(24)19-16(10)23)15-6-13(22)14(27-15)8-18-7-11-2-4-12(5-3-11)21(25)26/h2-4,9,12-15,18,22H,5-8H2,1H3,(H,19,23,24)/t12?,13-,14+,15+/m0/s1
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7.42E+5n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400483
PNG
(CHEMBL2178495)
Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNS(=O)(=O)c3ccc4ccccc4c3)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C20H21N3O6S/c1-12-11-23(20(26)22-19(12)25)18-9-16(24)17(29-18)10-21-30(27,28)15-7-6-13-4-2-3-5-14(13)8-15/h2-8,11,16-18,21,24H,9-10H2,1H3,(H,22,25,26)/t16-,17+,18-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400480
PNG
(CHEMBL2178498)
Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNCc3ccc(cc3)[N+]([O-])=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H20N4O6/c1-10-9-20(17(24)19-16(10)23)15-6-13(22)14(27-15)8-18-7-11-2-4-12(5-3-11)21(25)26/h2-5,9,13-15,18,22H,6-8H2,1H3,(H,19,23,24)/t13-,14+,15-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400479
PNG
(CHEMBL2178499)
Show SMILES CCOC(=O)CCNC(=O)NC[C@H]1O[C@@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C16H24N4O7/c1-3-26-13(22)4-5-17-15(24)18-7-11-10(21)6-12(27-11)20-8-9(2)14(23)19-16(20)25/h8,10-12,21H,3-7H2,1-2H3,(H2,17,18,24)(H,19,23,25)/t10-,11+,12-/m0/s1
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University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400477
PNG
(CHEMBL2178501)
Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)Nc3cccnc3)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C16H19N5O5/c1-9-8-21(16(25)20-14(9)23)13-5-11(22)12(26-13)7-18-15(24)19-10-3-2-4-17-6-10/h2-4,6,8,11-13,22H,5,7H2,1H3,(H2,18,19,24)(H,20,23,25)/t11-,12+,13-/m0/s1
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University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400472
PNG
(CHEMBL2178505)
Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccc(Br)cc3)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H19BrN4O5/c1-9-8-22(17(26)21-15(9)24)14-6-12(23)13(27-14)7-19-16(25)20-11-4-2-10(18)3-5-11/h2-5,8,12-14,23H,6-7H2,1H3,(H2,19,20,25)(H,21,24,26)/t12-,13+,14-/m0/s1
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University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400484
PNG
(CHEMBL2178494)
Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C16H18N4O8S/c1-9-8-19(16(23)18-15(9)22)14-6-12(21)13(28-14)7-17-29(26,27)11-4-2-10(3-5-11)20(24)25/h2-5,8,12-14,17,21H,6-7H2,1H3,(H,18,22,23)/t12-,13+,14-/m0/s1
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University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400464
PNG
(CHEMBL2178510)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CNS(=O)(=O)c3ccc4ccccc4c3)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C20H21N3O6S/c1-12-11-23(20(26)22-19(12)25)18-9-16(24)17(29-18)10-21-30(27,28)15-7-6-13-4-2-3-5-14(13)8-15/h2-8,11,16-18,21,24H,9-10H2,1H3,(H,22,25,26)/t16-,17+,18+/m0/s1
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University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400463
PNG
(CHEMBL2179030)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)c3ccc4ccccc4c3)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C21H21N3O5/c1-12-11-24(21(28)23-19(12)26)18-9-16(25)17(29-18)10-22-20(27)15-7-6-13-4-2-3-5-14(13)8-15/h2-8,11,16-18,25H,9-10H2,1H3,(H,22,27)(H,23,26,28)/t16-,17+,18+/m0/s1
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University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair
dTMP kinase


(Plasmodium falciparum (isolate 3D7))
BDBM50400465
PNG
(CHEMBL2178509)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CNS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C16H18N4O8S/c1-9-8-19(16(23)18-15(9)22)14-6-12(21)13(28-14)7-17-29(26,27)11-4-2-10(3-5-11)20(24)25/h2-5,8,12-14,17,21H,6-7H2,1H3,(H,18,22,23)/t12-,13+,14+/m0/s1
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University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay


J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair