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PubMed code 24398380

Compile data set for download or QSAR
Found 29 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
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
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM61867
PNG
(2-(4-hydroxyphenyl)-5,6,7,8-tetrakis(oxidanyl)chro...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
Show InChI InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)9-5-8(17)10-11(18)12(19)13(20)14(21)15(10)22-9/h1-5,16,18-21H
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1.29E+3n/an/an/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Competitive inhibition of PFKFB3 (unknown origin) using fructose 6-phosphate as substrate


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50445945
PNG
(CHEMBL3105838)
Show SMILES OC(=O)c1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1O
Show InChI InChI=1S/C17H13NO5S/c19-15-10-12(8-9-14(15)17(20)21)18-24(22,23)16-7-3-5-11-4-1-2-6-13(11)16/h1-10,18-19H,(H,20,21)
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n/an/a 490n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli BL21(DE3) using fructose 6-phosphate as substrate preincubated for 30...


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50209568
PNG
(4',7,8-trihydroxyisoflavone | 7,8,4'-trihydroxyiso...)
Show SMILES Oc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H
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n/an/a 670n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of PFKFB3 (unknown origin)


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50445951
PNG
(CHEMBL3105833)
Show SMILES CC(=O)c1nnn(c1C)-c1cnn(CCc2ccccc2)c(=O)c1Br
Show InChI InChI=1S/C17H16BrN5O2/c1-11-16(12(2)24)20-21-23(11)14-10-19-22(17(25)15(14)18)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli BL21(DE3) using fructose 6-phosphate as substrate preincubated for 30...


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM61867
PNG
(2-(4-hydroxyphenyl)-5,6,7,8-tetrakis(oxidanyl)chro...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
Show InChI InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)9-5-8(17)10-11(18)12(19)13(20)14(21)15(10)22-9/h1-5,16,18-21H
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n/an/a 2.97E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of PFKFB3 (unknown origin)


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50445929
PNG
(CHEMBL3105830)
Show SMILES CC(=O)c1nnn(c1C)-c1cnn(Cc2ccccc2)c(=O)c1Br
Show InChI InChI=1S/C16H14BrN5O2/c1-10-15(11(2)23)19-20-22(10)13-8-18-21(16(24)14(13)17)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli BL21(DE3) using fructose 6-phosphate as substrate preincubated for 30...


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50445931
PNG
(CHEMBL3105828)
Show SMILES CC(=O)c1nnn(c1C)-c1cnn(-c2ccc(Cl)cc2)c(=O)c1Br
Show InChI InChI=1S/C15H11BrClN5O2/c1-8-14(9(2)23)19-20-21(8)12-7-18-22(15(24)13(12)16)11-5-3-10(17)4-6-11/h3-7H,1-2H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli BL21(DE3) using fructose 6-phosphate as substrate preincubated for 30...


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50445944
PNG
(CHEMBL3105839)
Show SMILES CC(=O)c1nnn(c1C)-c1cnn(-c2ccccc2)c(=O)c1Br
Show InChI InChI=1S/C15H12BrN5O2/c1-9-14(10(2)22)18-19-20(9)12-8-17-21(15(23)13(12)16)11-6-4-3-5-7-11/h3-8H,1-2H3
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n/an/a 7.40E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli BL21(DE3) using fructose 6-phosphate as substrate preincubated for 30...


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50445933
PNG
(CHEMBL3105826)
Show SMILES CC(=O)c1nnn(c1C)-c1cnn(-c2ccc(cc2)C#N)c(=O)c1Br
Show InChI InChI=1S/C16H11BrN6O2/c1-9-15(10(2)24)20-21-22(9)13-8-19-23(16(25)14(13)17)12-5-3-11(7-18)4-6-12/h3-6,8H,1-2H3
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n/an/a 8.40E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli BL21(DE3) using fructose 6-phosphate as substrate preincubated for 30...


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50445927
PNG
(CHEMBL3105832)
Show SMILES CC(=O)c1nnn(c1C)-c1cnn(Cc2ccc(I)cc2)c(=O)c1Br
Show InChI InChI=1S/C16H13BrIN5O2/c1-9-15(10(2)24)20-21-23(9)13-7-19-22(16(25)14(13)17)8-11-3-5-12(18)6-4-11/h3-7H,8H2,1-2H3
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n/an/a 8.70E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli BL21(DE3) using fructose 6-phosphate as substrate preincubated for 30...


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50445932
PNG
(CHEMBL3105827)
Show SMILES CC(=O)c1nnn(c1C)-c1cnn(-c2ccc(OC(F)(F)F)cc2)c(=O)c1Br
Show InChI InChI=1S/C16H11BrF3N5O3/c1-8-14(9(2)26)22-23-24(8)12-7-21-25(15(27)13(12)17)10-3-5-11(6-4-10)28-16(18,19)20/h3-7H,1-2H3
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n/an/a 9.10E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli BL21(DE3) using fructose 6-phosphate as substrate preincubated for 30...


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50445930
PNG
(CHEMBL3105829)
Show SMILES CC(=O)c1nnn(c1C)-c1cnn(-c2cncnc2)c(=O)c1Br
Show InChI InChI=1S/C13H10BrN7O2/c1-7-12(8(2)22)18-19-20(7)10-5-17-21(13(23)11(10)14)9-3-15-6-16-4-9/h3-6H,1-2H3
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n/an/a 9.60E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli BL21(DE3) using fructose 6-phosphate as substrate preincubated for 30...


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50445950
PNG
(CHEMBL3105834)
Show SMILES CC(=O)c1nnn(c1C)-c1cnn(CCCc2ccccc2)c(=O)c1Br
Show InChI InChI=1S/C18H18BrN5O2/c1-12-17(13(2)25)21-22-24(12)15-11-20-23(18(26)16(15)19)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli BL21(DE3) using fructose 6-phosphate as substrate preincubated for 30...


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50445937
PNG
(CHEMBL3105845)
Show SMILES CC(=O)c1nnn(c1C)-c1cnn(-c2ccccc2)c(=O)c1I
Show InChI InChI=1S/C15H12IN5O2/c1-9-14(10(2)22)18-19-20(9)12-8-17-21(15(23)13(12)16)11-6-4-3-5-7-11/h3-8H,1-2H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli BL21(DE3) using fructose 6-phosphate as substrate preincubated for 30...


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50445948
PNG
(CHEMBL3105848)
Show SMILES O=C(\C=C\c1cccnc1)c1ccncc1
Show InChI InChI=1S/C13H10N2O/c16-13(12-5-8-14-9-6-12)4-3-11-2-1-7-15-10-11/h1-10H/b4-3+
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of PFKFB3 (unknown origin)


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50445938
PNG
(CHEMBL3105844)
Show SMILES CC(=O)c1nnn(c1C)-c1cnn(-c2ccccc2)c(=O)c1Cl
Show InChI InChI=1S/C15H12ClN5O2/c1-9-14(10(2)22)18-19-20(9)12-8-17-21(15(23)13(12)16)11-6-4-3-5-7-11/h3-8H,1-2H3
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n/an/a 2.60E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli BL21(DE3) using fructose 6-phosphate as substrate preincubated for 30...


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50445945
PNG
(CHEMBL3105838)
Show SMILES OC(=O)c1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1O
Show InChI InChI=1S/C17H13NO5S/c19-15-10-12(8-9-14(15)17(20)21)18-24(22,23)16-7-3-5-11-4-1-2-6-13(11)16/h1-10,18-19H,(H,20,21)
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n/an/a 2.70E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of PFKFB3 (unknown origin)


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50445934
PNG
(CHEMBL3105825)
Show SMILES CCOC(=O)c1cn(nn1)-c1cnn(-c2ccccc2)c(=O)c1N1CC2(COC2)C1
Show InChI InChI=1S/C20H20N6O4/c1-2-30-19(28)15-9-25(23-22-15)16-8-21-26(14-6-4-3-5-7-14)18(27)17(16)24-10-20(11-24)12-29-13-20/h3-9H,2,10-13H2,1H3
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n/an/a 5.50E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli BL21(DE3) using fructose 6-phosphate as substrate preincubated for 30...


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50445949
PNG
(CHEMBL3105835)
Show SMILES CN(C)CCNc1ccc(Cn2ncc(c(Br)c2=O)-n2nnc(C(C)=O)c2C)cc1
Show InChI InChI=1S/C20H24BrN7O2/c1-13-19(14(2)29)24-25-28(13)17-11-23-27(20(30)18(17)21)12-15-5-7-16(8-6-15)22-9-10-26(3)4/h5-8,11,22H,9-10,12H2,1-4H3
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli BL21(DE3) using fructose 6-phosphate as substrate preincubated for 30...


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50445942
PNG
(CHEMBL3105840)
Show SMILES Brc1c(cnn(-c2ccccc2)c1=O)N1CCc2c(C1)cccc2C#N
Show InChI InChI=1S/C20H15BrN4O/c21-19-18(12-23-25(20(19)26)16-7-2-1-3-8-16)24-10-9-17-14(11-22)5-4-6-15(17)13-24/h1-8,12H,9-10,13H2
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli BL21(DE3) using fructose 6-phosphate as substrate preincubated for 30...


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50445936
PNG
(CHEMBL3105846)
Show SMILES CC(C)c1c(cnn(-c2ccccc2)c1=O)-n1nnc(C(C)=O)c1C
Show InChI InChI=1S/C18H19N5O2/c1-11(2)16-15(22-12(3)17(13(4)24)20-21-22)10-19-23(18(16)25)14-8-6-5-7-9-14/h5-11H,1-4H3
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli BL21(DE3) using fructose 6-phosphate as substrate preincubated for 30...


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50445941
PNG
(CHEMBL3105841)
Show SMILES Brc1c(cnn(-c2ccccc2)c1=O)N1CC2(COC2)C1
Show InChI InChI=1S/C15H14BrN3O2/c16-13-12(18-7-15(8-18)9-21-10-15)6-17-19(14(13)20)11-4-2-1-3-5-11/h1-6H,7-10H2
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli BL21(DE3) using fructose 6-phosphate as substrate preincubated for 30...


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50445943
PNG
(CHEMBL1463854)
Show SMILES Brc1c(cnn(-c2ccccc2)c1=O)N1CCOCC1
Show InChI InChI=1S/C14H14BrN3O2/c15-13-12(17-6-8-20-9-7-17)10-16-18(14(13)19)11-4-2-1-3-5-11/h1-5,10H,6-9H2
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli BL21(DE3) using fructose 6-phosphate as substrate preincubated for 30...


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50445947
PNG
(CHEMBL3105837)
Show SMILES O=C(c1cc2c(ccc3ccccc23)[nH]1)c1ccncc1
Show InChI InChI=1S/C18H12N2O/c21-18(13-7-9-19-10-8-13)17-11-15-14-4-2-1-3-12(14)5-6-16(15)20-17/h1-11,20H
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of PFKFB3 (unknown origin)


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50445946
PNG
(CHEMBL3105836)
Show SMILES O=C(\C=C\c1ccc2ccccc2n1)c1ccncc1
Show InChI InChI=1S/C17H12N2O/c20-17(14-9-11-18-12-10-14)8-7-15-6-5-13-3-1-2-4-16(13)19-15/h1-12H/b8-7+
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli BL21(DE3) using fructose 6-phosphate as substrate preincubated for 30...


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50445940
PNG
(CHEMBL3105842)
Show SMILES NC(=O)CNc1cnn(-c2ccccc2)c(=O)c1Br
Show InChI InChI=1S/C12H11BrN4O2/c13-11-9(15-7-10(14)18)6-16-17(12(11)19)8-4-2-1-3-5-8/h1-6,15H,7H2,(H2,14,18)
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli BL21(DE3) using fructose 6-phosphate as substrate preincubated for 30...


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50445939
PNG
(CHEMBL3105843)
Show SMILES Brc1c(NCC2CCCO2)cnn(-c2ccccc2)c1=O
Show InChI InChI=1S/C15H16BrN3O2/c16-14-13(17-9-12-7-4-8-21-12)10-18-19(15(14)20)11-5-2-1-3-6-11/h1-3,5-6,10,12,17H,4,7-9H2
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli BL21(DE3) using fructose 6-phosphate as substrate preincubated for 30...


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50445935
PNG
(CHEMBL3105847)
Show SMILES CCOc1c(cnn(-c2ccccc2)c1=O)-n1nnc(C(C)=O)c1C
Show InChI InChI=1S/C17H17N5O3/c1-4-25-16-14(21-11(2)15(12(3)23)19-20-21)10-18-22(17(16)24)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli BL21(DE3) using fructose 6-phosphate as substrate preincubated for 30...


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50445928
PNG
(CHEMBL3105831)
Show SMILES CC(=O)c1nnn(c1C)-c1cnn(Cc2ccccc2)c(=O)c1
Show InChI InChI=1S/C16H15N5O2/c1-11-16(12(2)22)18-19-21(11)14-8-15(23)20(17-9-14)10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
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n/an/a>1.00E+7n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli BL21(DE3) using fructose 6-phosphate as substrate preincubated for 30...


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%