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PubMed code 19282189

Compile data set for download or QSAR
Found 50 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
Hexokinase-4


(Homo sapiens (Human))		BDBM50256776
PNG
(CHEMBL474626 | N-(4-Methyl-1,3-thiazol-2-yl)-3-phe...)
Show SMILES Cc1csc(NC(=O)c2cccc(Oc3ccccc3)c2)n1
Show InChI InChI=1S/C17H14N2O2S/c1-12-11-22-17(18-12)19-16(20)13-6-5-9-15(10-13)21-14-7-3-2-4-8-14/h2-11H,1H3,(H,18,19,20)
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n/an/an/an/a 1.90E+4n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256957
PNG
(3-Ethoxy-5-[2-(methylsulfonyl)phenoxy]-N-(4-methyl...)
Show SMILES CCOc1cc(Oc2ccccc2S(C)(=O)=O)cc(c1)C(=O)Nc1nc(C)cs1
Show InChI InChI=1S/C20H20N2O5S2/c1-4-26-15-9-14(19(23)22-20-21-13(2)12-28-20)10-16(11-15)27-17-7-5-6-8-18(17)29(3,24)25/h5-12H,4H2,1-3H3,(H,21,22,23)
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n/an/an/an/a 2.10E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256846
PNG
(3-(3-Methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)b...)
Show SMILES Cc1csc(NC(=O)c2cccc(Oc3cccc(C)c3)c2)n1
Show InChI InChI=1S/C18H16N2O2S/c1-12-5-3-7-15(9-12)22-16-8-4-6-14(10-16)17(21)20-18-19-13(2)11-23-18/h3-11H,1-2H3,(H,19,20,21)
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n/an/an/an/a 8.20E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256899
PNG
(3-[4-(Methylsulfonyl)phenoxy]-N-(4-methyl-1,3-thia...)
Show SMILES Cc1csc(NC(=O)c2cccc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1
Show InChI InChI=1S/C18H16N2O4S2/c1-12-11-25-18(19-12)20-17(21)13-4-3-5-15(10-13)24-14-6-8-16(9-7-14)26(2,22)23/h3-11H,1-2H3,(H,19,20,21)
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n/an/an/an/a 2.90E+4n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256903
PNG
(5-[2-(Methylsulfonyl)phenoxy]-N-(4-methyl-1,3-thia...)
Show SMILES Cc1csc(NC(=O)c2cc(Oc3ccccc3S(C)(=O)=O)ccc2Oc2ccccc2)n1
Show InChI InChI=1S/C24H20N2O5S2/c1-16-15-32-24(25-16)26-23(27)19-14-18(12-13-20(19)30-17-8-4-3-5-9-17)31-21-10-6-7-11-22(21)33(2,28)29/h3-15H,1-2H3,(H,25,26,27)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50248325
PNG
(2-amino-N-(4-methylthiazol-2-yl)-5-phenoxybenzamid...)
Show SMILES Cc1csc(NC(=O)c2cc(Oc3ccccc3)ccc2N)n1
Show InChI InChI=1S/C17H15N3O2S/c1-11-10-23-17(19-11)20-16(21)14-9-13(7-8-15(14)18)22-12-5-3-2-4-6-12/h2-10H,18H2,1H3,(H,19,20,21)
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n/an/an/an/a 130n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256847
PNG
(3-(4-Methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)b...)
Show SMILES Cc1csc(NC(=O)c2cccc(Oc3ccc(C)cc3)c2)n1
Show InChI InChI=1S/C18H16N2O2S/c1-12-6-8-15(9-7-12)22-16-5-3-4-14(10-16)17(21)20-18-19-13(2)11-23-18/h3-11H,1-2H3,(H,19,20,21)
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n/an/an/an/a 5.90E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256900
PNG
(3-(2-Methoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)...)
Show SMILES COc1ccccc1Oc1cccc(c1)C(=O)Nc1nc(C)cs1
Show InChI InChI=1S/C18H16N2O3S/c1-12-11-24-18(19-12)20-17(21)13-6-5-7-14(10-13)23-16-9-4-3-8-15(16)22-2/h3-11H,1-2H3,(H,19,20,21)
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n/an/an/an/a 2.20E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50248442
PNG
(2-amino-5-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(...)
Show SMILES Cc1csc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1
Show InChI InChI=1S/C14H14N6OS2/c1-8-6-22-13(17-8)18-12(21)10-5-9(3-4-11(10)15)23-14-19-16-7-20(14)2/h3-7H,15H2,1-2H3,(H,17,18,21)
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n/an/an/an/a 140n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Hexokinase-4


(Homo sapiens (Human))		BDBM50256901
PNG
(3-(2-Ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)b...)
Show SMILES CCOc1ccccc1Oc1cccc(c1)C(=O)Nc1nc(C)cs1
Show InChI InChI=1S/C19H18N2O3S/c1-3-23-16-9-4-5-10-17(16)24-15-8-6-7-14(11-15)18(22)21-19-20-13(2)12-25-19/h4-12H,3H2,1-2H3,(H,20,21,22)
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n/an/an/an/a 1.90E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256959
PNG
(3-[2-(Methylsulfonyl)phenoxy]-N-(4-methyl-1,3-thia...)
Show SMILES Cc1csc(NC(=O)c2cc(Oc3ccccc3)cc(Oc3ccccc3S(C)(=O)=O)c2)n1
Show InChI InChI=1S/C24H20N2O5S2/c1-16-15-32-24(25-16)26-23(27)17-12-19(30-18-8-4-3-5-9-18)14-20(13-17)31-21-10-6-7-11-22(21)33(2,28)29/h3-15H,1-2H3,(H,25,26,27)
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n/an/an/an/a 610n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50257004
PNG
(3-[3-(Methylsulfonyl)phenoxy]-N-(4-methyl-1,3-thia...)
Show SMILES Cc1csc(NC(=O)c2cc(Oc3ccccc3)cc(Oc3cccc(c3)S(C)(=O)=O)c2)n1
Show InChI InChI=1S/C24H20N2O5S2/c1-16-15-32-24(25-16)26-23(27)17-11-20(30-18-7-4-3-5-8-18)13-21(12-17)31-19-9-6-10-22(14-19)33(2,28)29/h3-15H,1-2H3,(H,25,26,27)
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n/an/an/an/a 940n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50257007
PNG
(3-Isopropoxy-5-[4-(methylsulfonyl)phenoxy]-N-(4-me...)
Show SMILES CC(C)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nc(C)cs1
Show InChI InChI=1S/C21H22N2O5S2/c1-13(2)27-17-9-15(20(24)23-21-22-14(3)12-29-21)10-18(11-17)28-16-5-7-19(8-6-16)30(4,25)26/h5-13H,1-4H3,(H,22,23,24)
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n/an/an/an/a 130n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50257005
PNG
(3-[4-(Methylsulfonyl)phenoxy]-N-(4-methyl-1,3-thia...)
Show SMILES Cc1csc(NC(=O)c2cc(Oc3ccccc3)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1
Show InChI InChI=1S/C24H20N2O5S2/c1-16-15-32-24(25-16)26-23(27)17-12-20(30-18-6-4-3-5-7-18)14-21(13-17)31-19-8-10-22(11-9-19)33(2,28)29/h3-15H,1-2H3,(H,25,26,27)
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n/an/an/an/a 420n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50257006
PNG
(3-Isopropoxy-5-[3-(methylsulfonyl)phenoxy]-N-(4-me...)
Show SMILES CC(C)Oc1cc(Oc2cccc(c2)S(C)(=O)=O)cc(c1)C(=O)Nc1nc(C)cs1
Show InChI InChI=1S/C21H22N2O5S2/c1-13(2)27-17-8-15(20(24)23-21-22-14(3)12-29-21)9-18(10-17)28-16-6-5-7-19(11-16)30(4,25)26/h5-13H,1-4H3,(H,22,23,24)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256844
PNG
(3-(4-Fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)b...)
Show SMILES Cc1csc(NC(=O)c2cccc(Oc3ccc(F)cc3)c2)n1
Show InChI InChI=1S/C17H13FN2O2S/c1-11-10-23-17(19-11)20-16(21)12-3-2-4-15(9-12)22-14-7-5-13(18)6-8-14/h2-10H,1H3,(H,19,20,21)
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n/an/an/an/a 4.20E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256899
PNG
(3-[4-(Methylsulfonyl)phenoxy]-N-(4-methyl-1,3-thia...)
Show SMILES Cc1csc(NC(=O)c2cccc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1
Show InChI InChI=1S/C18H16N2O4S2/c1-12-11-25-18(19-12)20-17(21)13-4-3-5-15(10-13)24-14-6-8-16(9-7-14)26(2,22)23/h3-11H,1-2H3,(H,19,20,21)
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n/an/an/an/a 3.40E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256900
PNG
(3-(2-Methoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)...)
Show SMILES COc1ccccc1Oc1cccc(c1)C(=O)Nc1nc(C)cs1
Show InChI InChI=1S/C18H16N2O3S/c1-12-11-24-18(19-12)20-17(21)13-6-5-7-14(10-13)23-16-9-4-3-8-15(16)22-2/h3-11H,1-2H3,(H,19,20,21)
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n/an/an/an/a 490n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256902
PNG
(5-[2-(Methylsulfonyl)phenoxy]-N-(4-methyl-1,3-thia...)
Show SMILES CC(C)Oc1ccc(Oc2ccccc2S(C)(=O)=O)cc1C(=O)Nc1nc(C)cs1
Show InChI InChI=1S/C21H22N2O5S2/c1-13(2)27-17-10-9-15(28-18-7-5-6-8-19(18)30(4,25)26)11-16(17)20(24)23-21-22-14(3)12-29-21/h5-13H,1-4H3,(H,22,23,24)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256958
PNG
(3-Isopropoxy-5-[2-(methylsulfonyl)phenoxy]-N-(4-me...)
Show SMILES CC(C)Oc1cc(Oc2ccccc2S(C)(=O)=O)cc(c1)C(=O)Nc1nc(C)cs1
Show InChI InChI=1S/C21H22N2O5S2/c1-13(2)27-16-9-15(20(24)23-21-22-14(3)12-29-21)10-17(11-16)28-18-7-5-6-8-19(18)30(4,25)26/h5-13H,1-4H3,(H,22,23,24)
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n/an/an/an/a 440n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256849
PNG
(3-[3-(Methylsulfonyl)phenoxy]-N-(4-methyl-1,3-thia...)
Show SMILES Cc1csc(NC(=O)c2cccc(Oc3cccc(c3)S(C)(=O)=O)c2)n1
Show InChI InChI=1S/C18H16N2O4S2/c1-12-11-25-18(19-12)20-17(21)13-5-3-6-14(9-13)24-15-7-4-8-16(10-15)26(2,22)23/h3-11H,1-2H3,(H,19,20,21)
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n/an/an/an/a 1.80E+4n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256901
PNG
(3-(2-Ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)b...)
Show SMILES CCOc1ccccc1Oc1cccc(c1)C(=O)Nc1nc(C)cs1
Show InChI InChI=1S/C19H18N2O3S/c1-3-23-16-9-4-5-10-17(16)24-15-8-6-7-14(11-15)18(22)21-19-20-13(2)12-25-19/h4-12H,3H2,1-2H3,(H,20,21,22)
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n/an/an/an/a 5.40E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256808
PNG
(3-(3-Fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)b...)
Show SMILES Cc1csc(NC(=O)c2cccc(Oc3cccc(F)c3)c2)n1
Show InChI InChI=1S/C17H13FN2O2S/c1-11-10-23-17(19-11)20-16(21)12-4-2-6-14(8-12)22-15-7-3-5-13(18)9-15/h2-10H,1H3,(H,19,20,21)
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n/an/an/an/a 2.20E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256846
PNG
(3-(3-Methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)b...)
Show SMILES Cc1csc(NC(=O)c2cccc(Oc3cccc(C)c3)c2)n1
Show InChI InChI=1S/C18H16N2O2S/c1-12-5-3-7-15(9-12)22-16-8-4-6-14(10-16)17(21)20-18-19-13(2)11-23-18/h3-11H,1-2H3,(H,19,20,21)
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n/an/an/an/a 2.30E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256903
PNG
(5-[2-(Methylsulfonyl)phenoxy]-N-(4-methyl-1,3-thia...)
Show SMILES Cc1csc(NC(=O)c2cc(Oc3ccccc3S(C)(=O)=O)ccc2Oc2ccccc2)n1
Show InChI InChI=1S/C24H20N2O5S2/c1-16-15-32-24(25-16)26-23(27)19-14-18(12-13-20(19)30-17-8-4-3-5-9-17)31-21-10-6-7-11-22(21)33(2,28)29/h3-15H,1-2H3,(H,25,26,27)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50257005
PNG
(3-[4-(Methylsulfonyl)phenoxy]-N-(4-methyl-1,3-thia...)
Show SMILES Cc1csc(NC(=O)c2cc(Oc3ccccc3)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1
Show InChI InChI=1S/C24H20N2O5S2/c1-16-15-32-24(25-16)26-23(27)17-12-20(30-18-6-4-3-5-7-18)14-21(13-17)31-19-8-10-22(11-9-19)33(2,28)29/h3-15H,1-2H3,(H,25,26,27)
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n/an/an/an/a 350n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256848
PNG
(3-[2-(Methylsulfonyl)phenoxy]-N-(4-methyl-1,3-thia...)
Show SMILES Cc1csc(NC(=O)c2cccc(Oc3ccccc3S(C)(=O)=O)c2)n1
Show InChI InChI=1S/C18H16N2O4S2/c1-12-11-25-18(19-12)20-17(21)13-6-5-7-14(10-13)24-15-8-3-4-9-16(15)26(2,22)23/h3-11H,1-2H3,(H,19,20,21)
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n/an/an/an/a 5.50E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256902
PNG
(5-[2-(Methylsulfonyl)phenoxy]-N-(4-methyl-1,3-thia...)
Show SMILES CC(C)Oc1ccc(Oc2ccccc2S(C)(=O)=O)cc1C(=O)Nc1nc(C)cs1
Show InChI InChI=1S/C21H22N2O5S2/c1-13(2)27-17-10-9-15(28-18-7-5-6-8-19(18)30(4,25)26)11-16(17)20(24)23-21-22-14(3)12-29-21/h5-13H,1-4H3,(H,22,23,24)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256958
PNG
(3-Isopropoxy-5-[2-(methylsulfonyl)phenoxy]-N-(4-me...)
Show SMILES CC(C)Oc1cc(Oc2ccccc2S(C)(=O)=O)cc(c1)C(=O)Nc1nc(C)cs1
Show InChI InChI=1S/C21H22N2O5S2/c1-13(2)27-16-9-15(20(24)23-21-22-14(3)12-29-21)10-17(11-16)28-18-7-5-6-8-19(18)30(4,25)26/h5-13H,1-4H3,(H,22,23,24)
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n/an/an/an/a 2.10E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256847
PNG
(3-(4-Methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)b...)
Show SMILES Cc1csc(NC(=O)c2cccc(Oc3ccc(C)cc3)c2)n1
Show InChI InChI=1S/C18H16N2O2S/c1-12-6-8-15(9-7-12)22-16-5-3-4-14(10-16)17(21)20-18-19-13(2)11-23-18/h3-11H,1-2H3,(H,19,20,21)
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n/an/an/an/a 6.40E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50257006
PNG
(3-Isopropoxy-5-[3-(methylsulfonyl)phenoxy]-N-(4-me...)
Show SMILES CC(C)Oc1cc(Oc2cccc(c2)S(C)(=O)=O)cc(c1)C(=O)Nc1nc(C)cs1
Show InChI InChI=1S/C21H22N2O5S2/c1-13(2)27-17-8-15(20(24)23-21-22-14(3)12-29-21)9-18(10-17)28-16-6-5-7-19(11-16)30(4,25)26/h5-13H,1-4H3,(H,22,23,24)
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n/an/an/an/a 90n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50257004
PNG
(3-[3-(Methylsulfonyl)phenoxy]-N-(4-methyl-1,3-thia...)
Show SMILES Cc1csc(NC(=O)c2cc(Oc3ccccc3)cc(Oc3cccc(c3)S(C)(=O)=O)c2)n1
Show InChI InChI=1S/C24H20N2O5S2/c1-16-15-32-24(25-16)26-23(27)17-11-20(30-18-7-4-3-5-8-18)13-21(12-17)31-19-9-6-10-22(14-19)33(2,28)29/h3-15H,1-2H3,(H,25,26,27)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256845
PNG
(3-(2-Methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)b...)
Show SMILES Cc1csc(NC(=O)c2cccc(Oc3ccccc3C)c2)n1
Show InChI InChI=1S/C18H16N2O2S/c1-12-6-3-4-9-16(12)22-15-8-5-7-14(10-15)17(21)20-18-19-13(2)11-23-18/h3-11H,1-2H3,(H,19,20,21)
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n/an/an/an/a 820n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50248533
PNG
(3-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(4-methyl...)
Show SMILES Cc1csc(NC(=O)c2cccc(Sc3nncn3C)c2)n1
Show InChI InChI=1S/C14H13N5OS2/c1-9-7-21-13(16-9)17-12(20)10-4-3-5-11(6-10)22-14-18-15-8-19(14)2/h3-8H,1-2H3,(H,16,17,20)
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n/an/an/an/a 7.30E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256959
PNG
(3-[2-(Methylsulfonyl)phenoxy]-N-(4-methyl-1,3-thia...)
Show SMILES Cc1csc(NC(=O)c2cc(Oc3ccccc3)cc(Oc3ccccc3S(C)(=O)=O)c2)n1
Show InChI InChI=1S/C24H20N2O5S2/c1-16-15-32-24(25-16)26-23(27)17-12-19(30-18-8-4-3-5-9-18)14-20(13-17)31-21-10-6-7-11-22(21)33(2,28)29/h3-15H,1-2H3,(H,25,26,27)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50248533
PNG
(3-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(4-methyl...)
Show SMILES Cc1csc(NC(=O)c2cccc(Sc3nncn3C)c2)n1
Show InChI InChI=1S/C14H13N5OS2/c1-9-7-21-13(16-9)17-12(20)10-4-3-5-11(6-10)22-14-18-15-8-19(14)2/h3-8H,1-2H3,(H,16,17,20)
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n/an/an/an/a 1.50E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256777
PNG
(3-(2-Fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)b...)
Show SMILES Cc1csc(NC(=O)c2cccc(Oc3ccccc3F)c2)n1
Show InChI InChI=1S/C17H13FN2O2S/c1-11-10-23-17(19-11)20-16(21)12-5-4-6-13(9-12)22-15-8-3-2-7-14(15)18/h2-10H,1H3,(H,19,20,21)
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n/an/an/an/a 450n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256849
PNG
(3-[3-(Methylsulfonyl)phenoxy]-N-(4-methyl-1,3-thia...)
Show SMILES Cc1csc(NC(=O)c2cccc(Oc3cccc(c3)S(C)(=O)=O)c2)n1
Show InChI InChI=1S/C18H16N2O4S2/c1-12-11-25-18(19-12)20-17(21)13-5-3-6-14(9-13)24-15-7-4-8-16(10-15)26(2,22)23/h3-11H,1-2H3,(H,19,20,21)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50248442
PNG
(2-amino-5-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(...)
Show SMILES Cc1csc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1
Show InChI InChI=1S/C14H14N6OS2/c1-8-6-22-13(17-8)18-12(21)10-5-9(3-4-11(10)15)23-14-19-16-7-20(14)2/h3-7H,15H2,1-2H3,(H,17,18,21)
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n/an/an/an/a 420n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Hexokinase-4


(Homo sapiens (Human))		BDBM50248325
PNG
(2-amino-N-(4-methylthiazol-2-yl)-5-phenoxybenzamid...)
Show SMILES Cc1csc(NC(=O)c2cc(Oc3ccccc3)ccc2N)n1
Show InChI InChI=1S/C17H15N3O2S/c1-11-10-23-17(19-11)20-16(21)14-9-13(7-8-15(14)18)22-12-5-3-2-4-6-12/h2-10H,18H2,1H3,(H,19,20,21)
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n/an/an/an/a 700n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256777
PNG
(3-(2-Fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)b...)
Show SMILES Cc1csc(NC(=O)c2cccc(Oc3ccccc3F)c2)n1
Show InChI InChI=1S/C17H13FN2O2S/c1-11-10-23-17(19-11)20-16(21)12-5-4-6-13(9-12)22-15-8-3-2-7-14(15)18/h2-10H,1H3,(H,19,20,21)
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n/an/an/an/a 2.40E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256844
PNG
(3-(4-Fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)b...)
Show SMILES Cc1csc(NC(=O)c2cccc(Oc3ccc(F)cc3)c2)n1
Show InChI InChI=1S/C17H13FN2O2S/c1-11-10-23-17(19-11)20-16(21)12-3-2-4-15(9-12)22-14-7-5-13(18)6-8-14/h2-10H,1H3,(H,19,20,21)
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n/an/an/an/a 2.10E+4n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256845
PNG
(3-(2-Methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)b...)
Show SMILES Cc1csc(NC(=O)c2cccc(Oc3ccccc3C)c2)n1
Show InChI InChI=1S/C18H16N2O2S/c1-12-6-3-4-9-16(12)22-15-8-5-7-14(10-15)17(21)20-18-19-13(2)11-23-18/h3-11H,1-2H3,(H,19,20,21)
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n/an/an/an/a 3.20E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256956
PNG
(3-Methoxy-5-[2-(methylsulfonyl)phenoxy]-N-(4-methy...)
Show SMILES COc1cc(Oc2ccccc2S(C)(=O)=O)cc(c1)C(=O)Nc1nc(C)cs1
Show InChI InChI=1S/C19H18N2O5S2/c1-12-11-27-19(20-12)21-18(22)13-8-14(25-2)10-15(9-13)26-16-6-4-5-7-17(16)28(3,23)24/h4-11H,1-3H3,(H,20,21,22)
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n/an/an/an/a 1.10E+4n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256957
PNG
(3-Ethoxy-5-[2-(methylsulfonyl)phenoxy]-N-(4-methyl...)
Show SMILES CCOc1cc(Oc2ccccc2S(C)(=O)=O)cc(c1)C(=O)Nc1nc(C)cs1
Show InChI InChI=1S/C20H20N2O5S2/c1-4-26-15-9-14(19(23)22-20-21-13(2)12-28-20)10-16(11-15)27-17-7-5-6-8-18(17)29(3,24)25/h5-12H,4H2,1-3H3,(H,21,22,23)
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n/an/an/an/a 2.40E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50257007
PNG
(3-Isopropoxy-5-[4-(methylsulfonyl)phenoxy]-N-(4-me...)
Show SMILES CC(C)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nc(C)cs1
Show InChI InChI=1S/C21H22N2O5S2/c1-13(2)27-17-9-15(20(24)23-21-22-14(3)12-29-21)10-18(11-17)28-16-5-7-19(8-6-16)30(4,25)26/h5-13H,1-4H3,(H,22,23,24)
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n/an/an/an/a 330n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256776
PNG
(CHEMBL474626 | N-(4-Methyl-1,3-thiazol-2-yl)-3-phe...)
Show SMILES Cc1csc(NC(=O)c2cccc(Oc3ccccc3)c2)n1
Show InChI InChI=1S/C17H14N2O2S/c1-12-11-22-17(18-12)19-16(20)13-6-5-9-15(10-13)21-14-7-3-2-4-8-14/h2-11H,1H3,(H,18,19,20)
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n/an/an/an/a 800n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256848
PNG
(3-[2-(Methylsulfonyl)phenoxy]-N-(4-methyl-1,3-thia...)
Show SMILES Cc1csc(NC(=O)c2cccc(Oc3ccccc3S(C)(=O)=O)c2)n1
Show InChI InChI=1S/C18H16N2O4S2/c1-12-11-25-18(19-12)20-17(21)13-6-5-7-14(10-13)24-15-8-3-4-9-16(15)26(2,22)23/h3-11H,1-2H3,(H,19,20,21)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256956
PNG
(3-Methoxy-5-[2-(methylsulfonyl)phenoxy]-N-(4-methy...)
Show SMILES COc1cc(Oc2ccccc2S(C)(=O)=O)cc(c1)C(=O)Nc1nc(C)cs1
Show InChI InChI=1S/C19H18N2O5S2/c1-12-11-27-19(20-12)21-18(22)13-8-14(25-2)10-15(9-13)26-16-6-4-5-7-17(16)28(3,23)24/h4-11H,1-3H3,(H,20,21,22)
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n/an/an/an/a 1.90E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50256808
PNG
(3-(3-Fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)b...)
Show SMILES Cc1csc(NC(=O)c2cccc(Oc3cccc(F)c3)c2)n1
Show InChI InChI=1S/C17H13FN2O2S/c1-11-10-23-17(19-11)20-16(21)12-4-2-6-14(8-12)22-15-7-3-5-13(18)9-15/h2-10H,1H3,(H,19,20,21)
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n/an/an/an/a 6.30E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 2733-43 (2009)


Article DOI: 10.1016/j.bmc.2009.02.038
BindingDB Entry DOI: 10.7270/Q2NV9J4Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%