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Compile Data Set for Download or QSAR

Found 105 hits Enz. Inhib. hit(s) with Target = 'Transketolase' 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
Transketolase


(Homo sapiens)
BDBM50263817
PNG
(5-benzyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidi...)
Show SMILES Clc1ccc(cc1)-c1c[nH]n2c1nc(Cc1ccccc1)cc2=O
Show InChI InChI=1S/C19H14ClN3O/c20-15-8-6-14(7-9-15)17-12-21-23-18(24)11-16(22-19(17)23)10-13-4-2-1-3-5-13/h1-9,11-12,21H,10H2
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n/an/a 3.90E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transketolase expressed in Escherichia coli


Bioorg Med Chem Lett 18: 5320-3 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50230586
PNG
(CHEMBL252845 | N-((2-amino-6-methylpyridin-3-yl)me...)
Show SMILES C\C(N(Cc1ccc(C)nc1N)C=O)=C1/CCOC(=O)S1
Show InChI InChI=1S/C14H17N3O3S/c1-9-3-4-11(13(15)16-9)7-17(8-18)10(2)12-5-6-20-14(19)21-12/h3-4,8H,5-7H2,1-2H3,(H2,15,16)/b12-10-
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n/an/an/an/a 15n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 505-8 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50230587
PNG
(CHEMBL440237 | N-(2-amino-6-methyl-pyridin-3-ylmet...)
Show SMILES C\C(N(Cc1ccc(C)nc1N)C=O)=C(/CCO)SS\C(CCO)=C(\C)N(Cc1ccc(C)nc1N)C=O
Show InChI InChI=1S/C26H36N6O4S2/c1-17-5-7-21(25(27)29-17)13-31(15-35)19(3)23(9-11-33)37-38-24(10-12-34)20(4)32(16-36)14-22-8-6-18(2)30-26(22)28/h5-8,15-16,33-34H,9-14H2,1-4H3,(H2,27,29)(H2,28,30)/b23-19-,24-20-
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n/an/an/an/a 12n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 505-8 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50230588
PNG
(3-(2-amino-6-methyl-pyridin-3-ylmethyl)-5-(2-hydro...)
Show SMILES Cc1sc(CCO)c(C)[n+]1Cc1ccc(C)nc1N
Show InChI InChI=1S/C14H20N3OS/c1-9-4-5-12(14(15)16-9)8-17-10(2)13(6-7-18)19-11(17)3/h4-5,18H,6-8H2,1-3H3,(H2,15,16)/q+1
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n/an/an/an/a 28n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 505-8 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50230589
PNG
(3-(2-amino-pyridin-3-ylmethyl)-5-(2-hydroxy-ethyl)...)
Show SMILES Cc1c(CCO)sc[n+]1Cc1cccnc1N
Show InChI InChI=1S/C12H16N3OS/c1-9-11(4-6-16)17-8-15(9)7-10-3-2-5-14-12(10)13/h2-3,5,8,16H,4,6-7H2,1H3,(H2,13,14)/q+1
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n/an/an/an/a 110n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 505-8 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50230590
PNG
(CHEMBL402594 | N-(2-amino-6-chloro-pyridin-3-ylmet...)
Show SMILES C\C(N(Cc1ccc(Cl)nc1N)C=O)=C(/CCO)SS\C(CCO)=C(\C)N(Cc1ccc(Cl)nc1N)C=O
Show InChI InChI=1S/C24H30Cl2N6O4S2/c1-15(31(13-35)11-17-3-5-21(25)29-23(17)27)19(7-9-33)37-38-20(8-10-34)16(2)32(14-36)12-18-4-6-22(26)30-24(18)28/h3-6,13-14,33-34H,7-12H2,1-2H3,(H2,27,29)(H2,28,30)/b19-15-,20-16-
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n/an/an/an/a 8n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 505-8 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50230591
PNG
(3-(acetylthio)-4-(N-((2-amino-6-methylpyridin-3-yl...)
Show SMILES CC(=O)OCC\C(SC(C)=O)=C(/C)N(Cc1ccc(C)nc1N)C=O
Show InChI InChI=1S/C17H23N3O4S/c1-11-5-6-15(17(18)19-11)9-20(10-21)12(2)16(25-14(4)23)7-8-24-13(3)22/h5-6,10H,7-9H2,1-4H3,(H2,18,19)/b16-12-
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n/an/an/an/a 8n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 505-8 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50230592
PNG
(CHEMBL251889 | N-(2-amino-pyridin-3-ylmethyl)-N-{2...)
Show SMILES C\C(N(Cc1cccnc1N)C=O)=C(/CCO)SS\C(CCO)=C(\C)N(Cc1cccnc1N)C=O
Show InChI InChI=1S/C24H32N6O4S2/c1-17(29(15-33)13-19-5-3-9-27-23(19)25)21(7-11-31)35-36-22(8-12-32)18(2)30(16-34)14-20-6-4-10-28-24(20)26/h3-6,9-10,15-16,31-32H,7-8,11-14H2,1-2H3,(H2,25,27)(H2,26,28)/b21-17-,22-18-
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n/an/an/an/a 479n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 505-8 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50230593
PNG
(3-(2-amino-6-chloro-pyridin-3-ylmethyl)-5-(2-hydro...)
Show SMILES Cc1c(CCO)sc[n+]1Cc1ccc(Cl)nc1N
Show InChI InChI=1S/C12H15ClN3OS/c1-8-10(4-5-17)18-7-16(8)6-9-2-3-11(13)15-12(9)14/h2-3,7,17H,4-6H2,1H3,(H2,14,15)/q+1
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n/an/an/an/a 9n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 505-8 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50230595
PNG
(CHEMBL251888 | N-{2-[2-[acetyl-(2-amino-6-methyl-p...)
Show SMILES CC(=O)N(Cc1ccc(C)nc1N)C(\C)=C(\CCO)SS\C(CCO)=C(\C)N(Cc1ccc(C)nc1N)C(C)=O
Show InChI InChI=1S/C28H40N6O4S2/c1-17-7-9-23(27(29)31-17)15-33(21(5)37)19(3)25(11-13-35)39-40-26(12-14-36)20(4)34(22(6)38)16-24-10-8-18(2)32-28(24)30/h7-10,35-36H,11-16H2,1-6H3,(H2,29,31)(H2,30,32)/b25-19-,26-20-
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n/an/an/an/a 32n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 505-8 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50230594
PNG
((4-(N-((2-amino-6-methylpyridin-3-yl)methyl)formam...)
Show SMILES C\C(N(Cc1ccc(C)nc1N)C=O)=C(/CCO)SCOC(=O)C(C)(C)C
Show InChI InChI=1S/C19H29N3O4S/c1-13-6-7-15(17(20)21-13)10-22(11-24)14(2)16(8-9-23)27-12-26-18(25)19(3,4)5/h6-7,11,23H,8-10,12H2,1-5H3,(H2,20,21)/b16-14-
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n/an/an/an/a 116n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 505-8 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50230596
PNG
(3-(2-amino-6-methyl-pyridin-3-ylmethyl)-5-(2-hydro...)
Show SMILES Cc1ccc(C[n+]2csc(CCO)c2)c(N)n1
Show InChI InChI=1S/C12H16N3OS/c1-9-2-3-10(12(13)14-9)6-15-7-11(4-5-16)17-8-15/h2-3,7-8,16H,4-6H2,1H3,(H2,13,14)/q+1
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n/an/an/an/a 9.54E+3n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 505-8 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50230597
PNG
(4-(N-((2-amino-6-methylpyridin-3-yl)methyl)formami...)
Show SMILES C\C(N(Cc1ccc(C)nc1N)C=O)=C(/CCOC(=O)c1ccccc1)SC(=O)c1ccccc1
Show InChI InChI=1S/C27H27N3O4S/c1-19-13-14-23(25(28)29-19)17-30(18-31)20(2)24(35-27(33)22-11-7-4-8-12-22)15-16-34-26(32)21-9-5-3-6-10-21/h3-14,18H,15-17H2,1-2H3,(H2,28,29)/b24-20-
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n/an/an/an/a 28n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 505-8 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50230598
PNG
(CHEMBL253045 | N-((2-amino-6-methylpyridin-3-yl)me...)
Show SMILES C\C(N(Cc1ccc(C)nc1N)C=O)=C(/CCO)SSCCO
Show InChI InChI=1S/C15H23N3O3S2/c1-11-3-4-13(15(16)17-11)9-18(10-21)12(2)14(5-6-19)23-22-8-7-20/h3-4,10,19-20H,5-9H2,1-2H3,(H2,16,17)/b14-12-
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n/an/an/an/a 13n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 505-8 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50230599
PNG
(3-(2-(4-(N-((2-amino-6-methylpyridin-3-yl)methyl)f...)
Show SMILES C\C(N(Cc1ccc(C)nc1N)C=O)=C(/CCO)SSCCC(O)=O
Show InChI InChI=1S/C16H23N3O4S2/c1-11-3-4-13(16(17)18-11)9-19(10-21)12(2)14(5-7-20)25-24-8-6-15(22)23/h3-4,10,20H,5-9H2,1-2H3,(H2,17,18)(H,22,23)/b14-12-
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n/an/an/an/a 52n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 505-8 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50230600
PNG
(3-(2-amino-6-methyl-pyridin-3-ylmethyl)-5-(2-hydro...)
Show SMILES Cc1c(CCO)sc[n+]1Cc1ccc(C)nc1N
Show InChI InChI=1S/C13H18N3OS/c1-9-3-4-11(13(14)15-9)7-16-8-18-12(5-6-17)10(16)2/h3-4,8,17H,5-7H2,1-2H3,(H2,14,15)/q+1
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n/an/an/an/a 18n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 505-8 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50230601
PNG
(CHEMBL401964 | N-((2-amino-6-methylpyridin-3-yl)me...)
Show SMILES CCCCS\C(CCO)=C(\C)N(Cc1ccc(C)nc1N)C=O
Show InChI InChI=1S/C17H27N3O2S/c1-4-5-10-23-16(8-9-21)14(3)20(12-22)11-15-7-6-13(2)19-17(15)18/h6-7,12,21H,4-5,8-11H2,1-3H3,(H2,18,19)/b16-14-
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n/an/an/an/a 6.00E+3n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 505-8 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50230602
PNG
(CHEMBL252085 | N-(2-amino-6-methyl-pyridin-3-ylmet...)
Show SMILES Cc1ccc(CN(C=O)\C=C(\CCO)SS\C(CCO)=C/N(Cc2ccc(C)nc2N)C=O)c(N)n1
Show InChI InChI=1S/C24H32N6O4S2/c1-17-3-5-19(23(25)27-17)11-29(15-33)13-21(7-9-31)35-36-22(8-10-32)14-30(16-34)12-20-6-4-18(2)28-24(20)26/h3-6,13-16,31-32H,7-12H2,1-2H3,(H2,25,27)(H2,26,28)/b21-13-,22-14-
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n/an/an/an/a 1.02E+5n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 505-8 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50230600
PNG
(3-(2-amino-6-methyl-pyridin-3-ylmethyl)-5-(2-hydro...)
Show SMILES Cc1c(CCO)sc[n+]1Cc1ccc(C)nc1N
Show InChI InChI=1S/C13H18N3OS/c1-9-3-4-11(13(14)15-9)7-16-8-18-12(5-6-17)10(16)2/h3-4,8,17H,5-7H2,1-2H3,(H2,14,15)/q+1
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n/an/an/an/a 26n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human transketolase in HCT116 cells


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373716
PNG
(CHEMBL403212)
Show SMILES CCc1sc(CCO)c(C)[n+]1Cc1ccc(C)nc1N
Show InChI InChI=1S/C15H22N3OS/c1-4-14-18(11(3)13(20-14)7-8-19)9-12-6-5-10(2)17-15(12)16/h5-6,19H,4,7-9H2,1-3H3,(H2,16,17)/q+1
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n/an/an/a 75n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase by TPPK/apo-TK coupled assay


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373717
PNG
(CHEMBL255541)
Show SMILES CCc1c(CCO)sc[n+]1Cc1ccc(C)nc1N
Show InChI InChI=1S/C14H20N3OS/c1-3-12-13(6-7-18)19-9-17(12)8-11-5-4-10(2)16-14(11)15/h4-5,9,18H,3,6-8H2,1-2H3,(H2,15,16)/q+1
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n/an/an/a 40n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase by TPPK/apo-TK coupled assay


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373718
PNG
(CHEMBL402065)
Show SMILES Cc1c(CCO)sc[n+]1Cc1ccc(nc1)C(=O)c1ccccc1C(O)=O
Show InChI InChI=1S/C20H18N2O4S/c1-13-18(8-9-23)27-12-22(13)11-14-6-7-17(21-10-14)19(24)15-4-2-3-5-16(15)20(25)26/h2-7,10,12,23H,8-9,11H2,1H3/p+1
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n/an/an/a 140n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase by TPPK/apo-TK coupled assay


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373719
PNG
(CHEMBL256267)
Show SMILES Cc1c(CCO)sc[n+]1Cc1cncc(C)c1
Show InChI InChI=1S/C13H17N2OS/c1-10-5-12(7-14-6-10)8-15-9-17-13(3-4-16)11(15)2/h5-7,9,16H,3-4,8H2,1-2H3/q+1
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n/an/an/a 220n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase by TPPK/apo-TK coupled assay


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373720
PNG
(CHEMBL271044)
Show SMILES Cc1c(CCO)sc[n+]1Cc1c(C)cc(C)nc1N
Show InChI InChI=1S/C14H20N3OS/c1-9-6-10(2)16-14(15)12(9)7-17-8-19-13(4-5-18)11(17)3/h6,8,18H,4-5,7H2,1-3H3,(H2,15,16)/q+1
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n/an/an/a 34n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase by TPPK/apo-TK coupled assay


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373721
PNG
(CHEMBL270384)
Show SMILES Cc1c(CCO)sc[n+]1Cc1cc(I)cnc1N
Show InChI InChI=1S/C12H15IN3OS/c1-8-11(2-3-17)18-7-16(8)6-9-4-10(13)5-15-12(9)14/h4-5,7,17H,2-3,6H2,1H3,(H2,14,15)/q+1
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n/an/an/a 109n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase by TPPK/apo-TK coupled assay


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373722
PNG
(CHEMBL256831)
Show SMILES CC(=O)Nc1ccc(C[n+]2csc(CCO)c2C)c(N)n1
Show InChI InChI=1S/C14H18N4O2S/c1-9-12(5-6-19)21-8-18(9)7-11-3-4-13(16-10(2)20)17-14(11)15/h3-4,8,19H,5-7H2,1-2H3,(H2-,15,16,17,20)/p+1
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n/an/an/a 23n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase by TPPK/apo-TK coupled assay


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373716
PNG
(CHEMBL403212)
Show SMILES CCc1sc(CCO)c(C)[n+]1Cc1ccc(C)nc1N
Show InChI InChI=1S/C15H22N3OS/c1-4-14-18(11(3)13(20-14)7-8-19)9-12-6-5-10(2)17-15(12)16/h5-6,19H,4,7-9H2,1-3H3,(H2,16,17)/q+1
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n/an/an/an/a 21n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human transketolase in HCT116 cells


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373723
PNG
(CHEMBL271886)
Show SMILES Cc1c(CCO)sc(-c2ccc3OCOc3c2)[n+]1Cc1ccc(C)nc1N
Show InChI InChI=1S/C20H22N3O3S/c1-12-3-4-15(19(21)22-12)10-23-13(2)18(7-8-24)27-20(23)14-5-6-16-17(9-14)26-11-25-16/h3-6,9,24H,7-8,10-11H2,1-2H3,(H2,21,22)/q+1
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n/an/an/an/a 2.50E+4n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human transketolase in HCT116 cells


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373724
PNG
(CHEMBL270632)
Show SMILES Cc1sc(CCO)c[n+]1Cc1ccc(C)nc1N
Show InChI InChI=1S/C13H18N3OS/c1-9-3-4-11(13(14)15-9)7-16-8-12(5-6-17)18-10(16)2/h3-4,8,17H,5-7H2,1-2H3,(H2,14,15)/q+1
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n/an/an/an/a 490n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human transketolase in HCT116 cells


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373725
PNG
(CHEMBL258077)
Show SMILES Cc1c(sc[n+]1Cc1ccc(C)nc1N)[C@H](O)CO
Show InChI InChI=1S/C13H18N3O2S/c1-8-3-4-10(13(14)15-8)5-16-7-19-12(9(16)2)11(18)6-17/h3-4,7,11,17-18H,5-6H2,1-2H3,(H2,14,15)/q+1/t11-/m1/s1
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n/an/an/an/a 50n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human transketolase in HCT116 cells


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50230589
PNG
(3-(2-amino-pyridin-3-ylmethyl)-5-(2-hydroxy-ethyl)...)
Show SMILES Cc1c(CCO)sc[n+]1Cc1cccnc1N
Show InChI InChI=1S/C12H16N3OS/c1-9-11(4-6-16)17-8-15(9)7-10-3-2-5-14-12(10)13/h2-3,5,8,16H,4,6-7H2,1H3,(H2,13,14)/q+1
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n/an/an/an/a 110n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human transketolase in HCT116 cells


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373727
PNG
(CHEMBL257929)
Show SMILES Cc1c(CCO)sc[n+]1Cc1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C13H14F3N2OS/c1-9-11(4-5-19)20-8-18(9)7-10-2-3-12(17-6-10)13(14,15)16/h2-3,6,8,19H,4-5,7H2,1H3/q+1
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n/an/an/an/a 470n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human transketolase in HCT116 cells


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373728
PNG
(CHEMBL429246)
Show SMILES Cc1c(CCO)sc[n+]1Cc1ccc(nc1N)C#N
Show InChI InChI=1S/C13H15N4OS/c1-9-12(4-5-18)19-8-17(9)7-10-2-3-11(6-14)16-13(10)15/h2-3,8,18H,4-5,7H2,1H3,(H2,15,16)/q+1
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n/an/an/an/a 360n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human transketolase in HCT116 cells


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373729
PNG
(CHEMBL401817)
Show SMILES Cc1c(CCOP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1ccc(C)nc1N
Show InChI InChI=1S/C13H19N3O7P2S/c1-9-3-4-11(13(14)15-9)7-16-8-26-12(10(16)2)5-6-22-25(20,21)23-24(17,18)19/h3-4,8H,5-7H2,1-2H3,(H4-,14,15,17,18,19,20,21)/p+1
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n/an/an/a 22n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Binding affinity to apo-transketolase


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50230600
PNG
(3-(2-amino-6-methyl-pyridin-3-ylmethyl)-5-(2-hydro...)
Show SMILES Cc1c(CCO)sc[n+]1Cc1ccc(C)nc1N
Show InChI InChI=1S/C13H18N3OS/c1-9-3-4-11(13(14)15-9)7-16-8-18-12(5-6-17)10(16)2/h3-4,8,17H,5-7H2,1-2H3,(H2,14,15)/q+1
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n/an/an/a 33n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase by TPPK/apo-TK coupled assay


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50230596
PNG
(3-(2-amino-6-methyl-pyridin-3-ylmethyl)-5-(2-hydro...)
Show SMILES Cc1ccc(C[n+]2csc(CCO)c2)c(N)n1
Show InChI InChI=1S/C12H16N3OS/c1-9-2-3-10(12(13)14-9)6-15-7-11(4-5-16)17-8-15/h2-3,7-8,16H,4-6H2,1H3,(H2,13,14)/q+1
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n/an/an/a 29n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase by TPPK/apo-TK coupled assay


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50230588
PNG
(3-(2-amino-6-methyl-pyridin-3-ylmethyl)-5-(2-hydro...)
Show SMILES Cc1sc(CCO)c(C)[n+]1Cc1ccc(C)nc1N
Show InChI InChI=1S/C14H20N3OS/c1-9-4-5-12(14(15)16-9)8-17-10(2)13(6-7-18)19-11(17)3/h4-5,18H,6-8H2,1-3H3,(H2,15,16)/q+1
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n/an/an/a 25n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase by TPPK/apo-TK coupled assay


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373732
PNG
(CHEMBL255339)
Show SMILES CC(O)c1sc(CCO)c(C)[n+]1Cc1ccc(C)nc1N
Show InChI InChI=1S/C15H22N3O2S/c1-9-4-5-12(14(16)17-9)8-18-10(2)13(6-7-19)21-15(18)11(3)20/h4-5,11,19-20H,6-8H2,1-3H3,(H2,16,17)/q+1
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n/an/an/a 120n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase by TPPK/apo-TK coupled assay


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373724
PNG
(CHEMBL270632)
Show SMILES Cc1sc(CCO)c[n+]1Cc1ccc(C)nc1N
Show InChI InChI=1S/C13H18N3OS/c1-9-3-4-11(13(14)15-9)7-16-8-12(5-6-17)18-10(16)2/h3-4,8,17H,5-7H2,1-2H3,(H2,14,15)/q+1
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n/an/an/a 36n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase by TPPK/apo-TK coupled assay


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373733
PNG
(CHEMBL402566)
Show SMILES Cc1ccc(C[n+]2csc(CCO)c2CO)c(N)n1
Show InChI InChI=1S/C13H18N3O2S/c1-9-2-3-10(13(14)15-9)6-16-8-19-12(4-5-17)11(16)7-18/h2-3,8,17-18H,4-7H2,1H3,(H2,14,15)/q+1
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n/an/an/a 25n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase by TPPK/apo-TK coupled assay


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373734
PNG
(CHEMBL255340)
Show SMILES Cc1c(sc[n+]1Cc1ccc(C)nc1N)[C@@H](O)CO
Show InChI InChI=1S/C13H18N3O2S/c1-8-3-4-10(13(14)15-8)5-16-7-19-12(9(16)2)11(18)6-17/h3-4,7,11,17-18H,5-6H2,1-2H3,(H2,14,15)/q+1/t11-/m0/s1
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n/an/an/a 27n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase by TPPK/apo-TK coupled assay


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373725
PNG
(CHEMBL258077)
Show SMILES Cc1c(sc[n+]1Cc1ccc(C)nc1N)[C@H](O)CO
Show InChI InChI=1S/C13H18N3O2S/c1-8-3-4-10(13(14)15-8)5-16-7-19-12(9(16)2)11(18)6-17/h3-4,7,11,17-18H,5-6H2,1-2H3,(H2,14,15)/q+1/t11-/m1/s1
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n/an/an/a 28n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase by TPPK/apo-TK coupled assay


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373725
PNG
(CHEMBL258077)
Show SMILES Cc1c(sc[n+]1Cc1ccc(C)nc1N)[C@H](O)CO
Show InChI InChI=1S/C13H18N3O2S/c1-8-3-4-10(13(14)15-8)5-16-7-19-12(9(16)2)11(18)6-17/h3-4,7,11,17-18H,5-6H2,1-2H3,(H2,14,15)/q+1/t11-/m1/s1
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n/an/an/a 53n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase by TPPK/apo-TK coupled assay


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50230589
PNG
(3-(2-amino-pyridin-3-ylmethyl)-5-(2-hydroxy-ethyl)...)
Show SMILES Cc1c(CCO)sc[n+]1Cc1cccnc1N
Show InChI InChI=1S/C12H16N3OS/c1-9-11(4-6-16)17-8-15(9)7-10-3-2-5-14-12(10)13/h2-3,5,8,16H,4,6-7H2,1H3,(H2,13,14)/q+1
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n/an/an/a 36n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase by TPPK/apo-TK coupled assay


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373735
PNG
(CHEMBL255603)
Show SMILES Cc1c(CCO)sc[n+]1Cc1ccc(N)nc1
Show InChI InChI=1S/C12H16N3OS/c1-9-11(4-5-16)17-8-15(9)7-10-2-3-12(13)14-6-10/h2-3,6,8,16H,4-5,7H2,1H3,(H2,13,14)/q+1
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n/an/an/a 7n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase by TPPK/apo-TK coupled assay


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373736
PNG
(CHEMBL271521)
Show SMILES Cc1c(CCO)sc[n+]1Cc1cnccc1N
Show InChI InChI=1S/C12H16N3OS/c1-9-12(3-5-16)17-8-15(9)7-10-6-14-4-2-11(10)13/h2,4,6,8,16H,3,5,7H2,1H3,(H2,13,14)/q+1
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n/an/an/a 64n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase by TPPK/apo-TK coupled assay


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373727
PNG
(CHEMBL257929)
Show SMILES Cc1c(CCO)sc[n+]1Cc1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C13H14F3N2OS/c1-9-11(4-5-19)20-8-18(9)7-10-2-3-12(17-6-10)13(14,15)16/h2-3,6,8,19H,4-5,7H2,1H3/q+1
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n/an/an/a 310n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase by TPPK/apo-TK coupled assay


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50230593
PNG
(3-(2-amino-6-chloro-pyridin-3-ylmethyl)-5-(2-hydro...)
Show SMILES Cc1c(CCO)sc[n+]1Cc1ccc(Cl)nc1N
Show InChI InChI=1S/C12H15ClN3OS/c1-8-10(4-5-17)18-7-16(8)6-9-2-3-11(13)15-12(9)14/h2-3,7,17H,4-6H2,1H3,(H2,14,15)/q+1
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n/an/an/a 46n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase by TPPK/apo-TK coupled assay


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373738
PNG
(CHEMBL256627)
Show SMILES CCc1ccc(C[n+]2csc(CCO)c2C)c(N)n1
Show InChI InChI=1S/C14H20N3OS/c1-3-12-5-4-11(14(15)16-12)8-17-9-19-13(6-7-18)10(17)2/h4-5,9,18H,3,6-8H2,1-2H3,(H2,15,16)/q+1
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n/an/an/a 10n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase by TPPK/apo-TK coupled assay


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373728
PNG
(CHEMBL429246)
Show SMILES Cc1c(CCO)sc[n+]1Cc1ccc(nc1N)C#N
Show InChI InChI=1S/C13H15N4OS/c1-9-12(4-5-18)19-8-17(9)7-10-2-3-11(6-14)16-13(10)15/h2-3,8,18H,4-5,7H2,1H3,(H2,15,16)/q+1
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n/an/an/a 57n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase by TPPK/apo-TK coupled assay


Bioorg Med Chem Lett 18: 2206-10 (2008)

More data for this
Ligand-Target Pair
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