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There are 18 purchasable compounds for target: Hexokinase-D

Wt: 381.3
BDBM34098
Purchase
Wt: 331.3
BDBM34099
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Wt: 376.4
BDBM34102
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Wt: 376.4
BDBM34104
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Wt: 349.4
BDBM34071
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Wt: 376.4
BDBM34105
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Wt: 378.5
BDBM50161674
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Wt: 252.7
BDBM50186320
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Wt: 310.3
BDBM50256776
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Wt: 219.2
BDBM50248272
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Wt: 464.5
BDBM50320996
Purchase
Wt: 378.5
BDBM50346020
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Wt: 421.8
BDBM50346026
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Wt: 432.4
BDBM50394684
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Wt: 395.8
BDBM50402964
Displayed 1 to 15 (of 18 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 34098,34099,34102,34104,34071,34105,50161674,50186320,50256776,50248272,50320996,50346020,50346026,50394684,50402964   
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
Hexokinase type IV


(Homo sapiens (Human))
BDBM50394684
PNG
(CHEMBL2165615)
Show SMILES CN(C)C(=O)c1ncc(Oc2cc(cc3oc(C)cc23)C(=O)Nc2cnc(C)cn2)cn1
Show InChI InChI=1S/C22H20N6O4/c1-12-8-24-19(11-23-12)27-21(29)14-6-17-16(5-13(2)31-17)18(7-14)32-15-9-25-20(26-10-15)22(30)28(3)4/h5-11H,1-4H3,(H,24,27,29)
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n/an/an/an/a 190n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase by matrix assay in presence of glucose


Bioorg Med Chem Lett 23: 4571-8 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hexokinase type IV


(Homo sapiens (Human))
BDBM50320996
PNG
(6-(3-((S)-1-methoxypropan-2-yloxy)-5-((S)-1-phenyl...)
Show SMILES COC[C@H](C)Oc1cc(O[C@@H](C)Cc2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C26H28N2O6/c1-17(11-19-7-5-4-6-8-19)33-22-12-21(13-23(14-22)34-18(2)16-32-3)25(29)28-24-10-9-20(15-27-24)26(30)31/h4-10,12-15,17-18H,11,16H2,1-3H3,(H,30,31)(H,27,28,29)/t17-,18-/m0/s1
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n/an/an/an/a 240n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase expressed in Escherichia coli BL21(DE3) coexpressing G6PDH assessed as glucose 6-phosphate formation by s...


Bioorg Med Chem 20: 2982-91 (2012)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM34104
PNG
(benzamide derivative 15a)
Show SMILES COc1ccccc1NC(=O)c1cccc(c1)C(=O)Nc1ccccc1OC
Show InChI InChI=1S/C22H20N2O4/c1-27-19-12-5-3-10-17(19)23-21(25)15-8-7-9-16(14-15)22(26)24-18-11-4-6-13-20(18)28-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...


Bioorg Med Chem 17: 7301-12 (2009)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM34102
PNG
(benzamide derivative 15b)
Show SMILES COc1cccc(NC(=O)c2cccc(c2)C(=O)Nc2cccc(OC)c2)c1
Show InChI InChI=1S/C22H20N2O4/c1-27-19-10-4-8-17(13-19)23-21(25)15-6-3-7-16(12-15)22(26)24-18-9-5-11-20(14-18)28-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...


Bioorg Med Chem 17: 7301-12 (2009)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM34105
PNG
(benzamide derivative 15c)
Show SMILES COc1ccc(NC(=O)c2cccc(c2)C(=O)Nc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C22H20N2O4/c1-27-19-10-6-17(7-11-19)23-21(25)15-4-3-5-16(14-15)22(26)24-18-8-12-20(28-2)13-9-18/h3-14H,1-2H3,(H,23,25)(H,24,26)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...


Bioorg Med Chem 17: 7301-12 (2009)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM34071
PNG
(benzamide derivative, 6)
Show SMILES Cn1ccnc1Sc1cc(C(=O)Nc2nccs2)c(N)cc1F
Show InChI InChI=1S/C14H12FN5OS2/c1-20-4-2-18-14(20)23-11-6-8(10(16)7-9(11)15)12(21)19-13-17-3-5-22-13/h2-7H,16H2,1H3,(H,17,19,21)
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n/an/an/an/a 67.1n/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...


Bioorg Med Chem 17: 7301-12 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hexokinase type IV


(Homo sapiens (Human))
BDBM34098
PNG
(benzamide derivative, 14b)
Show SMILES Fc1ccccc1N1CCN(CC(=O)Nc2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C19H19F4N3O/c20-16-6-1-2-7-17(16)26-10-8-25(9-11-26)13-18(27)24-15-5-3-4-14(12-15)19(21,22)23/h1-7,12H,8-11,13H2,(H,24,27)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...


Bioorg Med Chem 17: 7301-12 (2009)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM34099
PNG
(benzamide derivative, 14c)
Show SMILES Fc1cccc(NC(=O)CN2CCN(CC2)c2ccccc2F)c1
Show InChI InChI=1S/C18H19F2N3O/c19-14-4-3-5-15(12-14)21-18(24)13-22-8-10-23(11-9-22)17-7-2-1-6-16(17)20/h1-7,12H,8-11,13H2,(H,21,24)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...


Bioorg Med Chem 17: 7301-12 (2009)

More data for this
Ligand-Target Pair
Hexokinase type IV


(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)

More data for this
Ligand-Target Pair
Hexokinase type IV


(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)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50248272
PNG
(2-amino-N-(thiazol-2-yl)benzamide | CHEMBL474749)
Show SMILES Nc1ccccc1C(=O)Nc1nccs1
Show InChI InChI=1S/C10H9N3OS/c11-8-4-2-1-3-7(8)9(14)13-10-12-5-6-15-10/h1-6H,11H2,(H,12,13,14)
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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 human glucokinase by glucose-6-phosphate dehydrogenase coupled continuous spectrophotometric assay in presence of 2.5 mM glucose


Bioorg Med Chem Lett 19: 1357-60 (2009)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50248272
PNG
(2-amino-N-(thiazol-2-yl)benzamide | CHEMBL474749)
Show SMILES Nc1ccccc1C(=O)Nc1nccs1
Show InChI InChI=1S/C10H9N3OS/c11-8-4-2-1-3-7(8)9(14)13-10-12-5-6-15-10/h1-6H,11H2,(H,12,13,14)
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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 human glucokinase by glucose-6-phosphate dehydrogenase coupled continuous spectrophotometric assay in presence of 10 mM glucose


Bioorg Med Chem Lett 19: 1357-60 (2009)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50186320
PNG
(3-chloro-N-(4-methylthiazol-2-yl)benzamide | CHEMB...)
Show SMILES Cc1csc(NC(=O)c2cccc(Cl)c2)n1
Show InChI InChI=1S/C11H9ClN2OS/c1-7-6-16-11(13-7)14-10(15)8-3-2-4-9(12)5-8/h2-6H,1H3,(H,13,14,15)
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n/an/an/an/a 1.70E+4n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of human glucokinase by glucose-6-phosphate dehydrogenase coupled continuous spectrophotometric assay in presence of 2.5 mM glucose


Bioorg Med Chem Lett 19: 1357-60 (2009)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50186320
PNG
(3-chloro-N-(4-methylthiazol-2-yl)benzamide | CHEMB...)
Show SMILES Cc1csc(NC(=O)c2cccc(Cl)c2)n1
Show InChI InChI=1S/C11H9ClN2OS/c1-7-6-16-11(13-7)14-10(15)8-3-2-4-9(12)5-8/h2-6H,1H3,(H,13,14,15)
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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 human glucokinase by glucose-6-phosphate dehydrogenase coupled continuous spectrophotometric assay in presence of 10 mM glucose


Bioorg Med Chem Lett 19: 1357-60 (2009)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346026
PNG
((R)-2-(3-chloro-4-(methylsulfonyl)phenyl)-3-((R)-3...)
Show SMILES CS(=O)(=O)c1ccc(cc1Cl)[C@@H](C[C@H]1CCC(=O)C1)C(=O)Nc1cnccn1
Show InChI InChI=1S/C19H20ClN3O4S/c1-28(26,27)17-5-3-13(10-16(17)20)15(9-12-2-4-14(24)8-12)19(25)23-18-11-21-6-7-22-18/h3,5-7,10-12,15H,2,4,8-9H2,1H3,(H,22,23,25)/t12-,15+/m0/s1
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n/an/an/an/a 6.32E+3n/an/an/an/a



Servier Research Institute of Medicinal Chemistry

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase assessed as NADPH formation using glucose as substrate incubated for 30 mins in presence of NADP+ and glu...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hexokinase type IV


(Homo sapiens (Human))
BDBM50320996
PNG
(6-(3-((S)-1-methoxypropan-2-yloxy)-5-((S)-1-phenyl...)
Show SMILES COC[C@H](C)Oc1cc(O[C@@H](C)Cc2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C26H28N2O6/c1-17(11-19-7-5-4-6-8-19)33-22-12-21(13-23(14-22)34-18(2)16-32-3)25(29)28-24-10-9-20(15-27-24)26(30)31/h4-10,12-15,17-18H,11,16H2,1-3H3,(H,30,31)(H,27,28,29)/t17-,18-/m0/s1
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n/an/an/an/a 30n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of human glucokinase expressed in Escherichia coli BL21(DE3) coexpressing G6PDH by spectrometry


Bioorg Med Chem 18: 3875-84 (2010)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50320996
PNG
(6-(3-((S)-1-methoxypropan-2-yloxy)-5-((S)-1-phenyl...)
Show SMILES COC[C@H](C)Oc1cc(O[C@@H](C)Cc2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C26H28N2O6/c1-17(11-19-7-5-4-6-8-19)33-22-12-21(13-23(14-22)34-18(2)16-32-3)25(29)28-24-10-9-20(15-27-24)26(30)31/h4-10,12-15,17-18H,11,16H2,1-3H3,(H,30,31)(H,27,28,29)/t17-,18-/m0/s1
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n/an/an/an/a 30n/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Activation of His-tagged recombinant glucokinase expressed in Escherichia coli using [14C]-glucose substrate by spectrophotometrically


Bioorg Med Chem Lett 21: 3467-70 (2011)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50320996
PNG
(6-(3-((S)-1-methoxypropan-2-yloxy)-5-((S)-1-phenyl...)
Show SMILES COC[C@H](C)Oc1cc(O[C@@H](C)Cc2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C26H28N2O6/c1-17(11-19-7-5-4-6-8-19)33-22-12-21(13-23(14-22)34-18(2)16-32-3)25(29)28-24-10-9-20(15-27-24)26(30)31/h4-10,12-15,17-18H,11,16H2,1-3H3,(H,30,31)(H,27,28,29)/t17-,18-/m0/s1
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n/an/an/an/a 45n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346020
PNG
((2R)-3-Cyclopentyl-2-(4-methanesulfonylphenyl)-N-t...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](CC1CCCC1)C(=O)Nc1nccs1
Show InChI InChI=1S/C18H22N2O3S2/c1-25(22,23)15-8-6-14(7-9-15)16(12-13-4-2-3-5-13)17(21)20-18-19-10-11-24-18/h6-11,13,16H,2-5,12H2,1H3,(H,19,20,21)/t16-/m1/s1
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n/an/an/an/a 690n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346026
PNG
((R)-2-(3-chloro-4-(methylsulfonyl)phenyl)-3-((R)-3...)
Show SMILES CS(=O)(=O)c1ccc(cc1Cl)[C@@H](C[C@H]1CCC(=O)C1)C(=O)Nc1cnccn1
Show InChI InChI=1S/C19H20ClN3O4S/c1-28(26,27)17-5-3-13(10-16(17)20)15(9-12-2-4-14(24)8-12)19(25)23-18-11-21-6-7-22-18/h3,5-7,10-12,15H,2,4,8-9H2,1H3,(H,22,23,25)/t12-,15+/m0/s1
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n/an/an/an/a 1.42E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hexokinase type IV


(Homo sapiens (Human))
BDBM50394684
PNG
(CHEMBL2165615)
Show SMILES CN(C)C(=O)c1ncc(Oc2cc(cc3oc(C)cc23)C(=O)Nc2cnc(C)cn2)cn1
Show InChI InChI=1S/C22H20N6O4/c1-12-8-24-19(11-23-12)27-21(29)14-6-17-16(5-13(2)31-17)18(7-14)32-15-9-25-20(26-10-15)22(30)28(3)4/h5-11H,1-4H3,(H,24,27,29)
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n/an/an/an/a 188n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometric analysis


J Med Chem 55: 1318-33 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hexokinase type IV


(Homo sapiens (Human))
BDBM50161674
PNG
(3-Cyclopentyl-2-(4-methanesulfonyl-phenyl)-N-thiaz...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(CC1CCCC1)C(=O)Nc1nccs1
Show InChI InChI=1S/C18H22N2O3S2/c1-25(22,23)15-8-6-14(7-9-15)16(12-13-4-2-3-5-13)17(21)20-18-19-10-11-24-18/h6-11,13,16H,2-5,12H2,1H3,(H,19,20,21)
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n/an/an/an/a 2.67E+4n/an/an/an/a



Chinese Academy of Medical Sciences& Peking Union Medical College

Curated by ChEMBL


Assay Description
Activation of glucokinase (unknown origin) using glucose as substrate


Eur J Med Chem 76: 182-92 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346020
PNG
((2R)-3-Cyclopentyl-2-(4-methanesulfonylphenyl)-N-t...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](CC1CCCC1)C(=O)Nc1nccs1
Show InChI InChI=1S/C18H22N2O3S2/c1-25(22,23)15-8-6-14(7-9-15)16(12-13-4-2-3-5-13)17(21)20-18-19-10-11-24-18/h6-11,13,16H,2-5,12H2,1H3,(H,19,20,21)/t16-/m1/s1
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n/an/an/an/a 500n/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Activation of glucokinase (unknown origin)


Bioorg Med Chem Lett 23: 2166-71 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hexokinase type IV


(Homo sapiens (Human))
BDBM50402964
PNG
(CHEMBL2206776)
Show SMILES Clc1ccccc1-n1ncc2c(SCC(=O)Nc3ccccc3)ncnc12
Show InChI InChI=1S/C19H14ClN5OS/c20-15-8-4-5-9-16(15)25-18-14(10-23-25)19(22-12-21-18)27-11-17(26)24-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,24,26)
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n/an/an/an/a>1.00E+5n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Activation of human glucokinase


Bioorg Med Chem Lett 22: 7302-5 (2012)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346020
PNG
((2R)-3-Cyclopentyl-2-(4-methanesulfonylphenyl)-N-t...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](CC1CCCC1)C(=O)Nc1nccs1
Show InChI InChI=1S/C18H22N2O3S2/c1-25(22,23)15-8-6-14(7-9-15)16(12-13-4-2-3-5-13)17(21)20-18-19-10-11-24-18/h6-11,13,16H,2-5,12H2,1H3,(H,19,20,21)/t16-/m1/s1
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n/an/an/a 500n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant wild-type human pancreatic glucokinase expressed in Escherichia coli K-12 by isothermal titration calorimetry in pres...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)