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Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with Target = 'Hexokinase type IV' AND taxid = 10116   
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
Hexokinase type IV


(Rattus norvegicus)
BDBM50444409
PNG
(CHEMBL3091581)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)S(=O)(=O)C2CCC2)nc1
Show InChI InChI=1S/C21H26N4O5S/c26-20(24-18-9-8-15(11-22-18)21(27)28)17(10-14-4-1-2-5-14)25-12-19(23-13-25)31(29,30)16-6-3-7-16/h8-9,11-14,16-17H,1-7,10H2,(H,27,28)(H,22,24,26)/t17-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of glucokinase in Wistar rat hepatocytes assessed as nuclear to cytosolic translocation of protein by immunofluorescence assay


Bioorg Med Chem Lett 23: 6588-92 (2013)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161681
PNG
(3-(5-Chloro-thiazol-2-yl)-1-(6-cyano-pyridin-3-yl)...)
Show SMILES Clc1cnc(NC(=O)N(CC2CCCC2)c2ccc(nc2)C#N)s1
Show InChI InChI=1S/C16H16ClN5OS/c17-14-9-20-15(24-14)21-16(23)22(10-11-3-1-2-4-11)13-6-5-12(7-18)19-8-13/h5-6,8-9,11H,1-4,10H2,(H,20,21,23)
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n/an/an/an/a 7.70E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161682
PNG
(3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-1-(3...)
Show SMILES COc1cccc(c1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C17H20ClN3O2S/c1-23-14-8-4-7-13(9-14)21(11-12-5-2-3-6-12)17(22)20-16-19-10-15(18)24-16/h4,7-10,12H,2-3,5-6,11H2,1H3,(H,19,20,22)
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n/an/an/an/a 1.40E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161678
PNG
(3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-1-(6...)
Show SMILES COc1ccc(cn1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C16H19ClN4O2S/c1-23-14-7-6-12(8-18-14)21(10-11-4-2-3-5-11)16(22)20-15-19-9-13(17)24-15/h6-9,11H,2-5,10H2,1H3,(H,19,20,22)
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n/an/an/an/a 2.70E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161679
PNG
(3-(5-Chloro-thiazol-2-yl)-1-(4-cyano-phenyl)-1-cyc...)
Show SMILES Clc1cnc(NC(=O)N(CC2CCCC2)c2ccc(cc2)C#N)s1
Show InChI InChI=1S/C17H17ClN4OS/c18-15-10-20-16(24-15)21-17(23)22(11-13-3-1-2-4-13)14-7-5-12(9-19)6-8-14/h5-8,10,13H,1-4,11H2,(H,20,21,23)
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n/an/an/an/a 2.40E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161684
PNG
(1-Cyclopentylmethyl-3-(6-methanesulfonyl-benzothia...)
Show SMILES CS(=O)(=O)c1ccc(cc1)N(CC1CCCC1)C(=O)Nc1nc2ccc(cc2s1)S(C)(=O)=O
Show InChI InChI=1S/C22H25N3O5S3/c1-32(27,28)17-9-7-16(8-10-17)25(14-15-5-3-4-6-15)22(26)24-21-23-19-12-11-18(33(2,29)30)13-20(19)31-21/h7-13,15H,3-6,14H2,1-2H3,(H,23,24,26)
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n/an/an/an/a 3.29E+4n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161685
PNG
(1-Cyclopentylmethyl-1-(6-methoxy-pyridin-3-yl)-3-t...)
Show SMILES COc1ccc(cn1)N(CC1CCCC1)C(=O)Nc1nccs1
Show InChI InChI=1S/C16H20N4O2S/c1-22-14-7-6-13(10-18-14)20(11-12-4-2-3-5-12)16(21)19-15-17-8-9-23-15/h6-10,12H,2-5,11H2,1H3,(H,17,19,21)
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n/an/an/an/a 1.92E+4n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161683
PNG
(3-(5-Chloro-thiazol-2-yl)-1-(4-methanesulfonyl-phe...)
Show SMILES CS(=O)(=O)c1ccc(cc1)N(CC1CCOCC1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C17H20ClN3O4S2/c1-27(23,24)14-4-2-13(3-5-14)21(11-12-6-8-25-9-7-12)17(22)20-16-19-10-15(18)26-16/h2-5,10,12H,6-9,11H2,1H3,(H,19,20,22)
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n/an/an/an/a 4.90E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
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 2.20E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

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


(Rattus norvegicus)
BDBM50161686
PNG
(3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-1-(4...)
Show SMILES FC(F)(F)c1ccc(cc1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C17H17ClF3N3OS/c18-14-9-22-15(26-14)23-16(25)24(10-11-3-1-2-4-11)13-7-5-12(6-8-13)17(19,20)21/h5-9,11H,1-4,10H2,(H,22,23,25)
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n/an/an/an/a 1.30E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161687
PNG
(3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-1-(4...)
Show SMILES CS(=O)(=O)c1ccc(cc1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C17H20ClN3O3S2/c1-26(23,24)14-8-6-13(7-9-14)21(11-12-4-2-3-5-12)17(22)20-16-19-10-15(18)25-16/h6-10,12H,2-5,11H2,1H3,(H,19,20,22)
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n/an/an/an/a 1.50E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161688
PNG
(3-(5-Chloro-thiazol-2-yl)-1-(4-methanesulfonyl-phe...)
Show SMILES CS(=O)(=O)c1ccc(cc1)N(Cc1cccs1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C16H14ClN3O3S3/c1-26(22,23)13-6-4-11(5-7-13)20(10-12-3-2-8-24-12)16(21)19-15-18-9-14(17)25-15/h2-9H,10H2,1H3,(H,18,19,21)
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n/an/an/an/a 6.60E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161689
PNG
(3-(5-Chloro-thiazol-2-yl)-1-(4-methanesulfonyl-phe...)
Show SMILES CS(=O)(=O)c1ccc(cc1)N(CC1CCOC1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C16H18ClN3O4S2/c1-26(22,23)13-4-2-12(3-5-13)20(9-11-6-7-24-10-11)16(21)19-15-18-8-14(17)25-15/h2-5,8,11H,6-7,9-10H2,1H3,(H,18,19,21)
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n/an/an/an/a 2.19E+4n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161690
PNG
(3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-1-(3...)
Show SMILES Fc1ccc(cc1F)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C16H16ClF2N3OS/c17-14-8-20-15(24-14)21-16(23)22(9-10-3-1-2-4-10)11-5-6-12(18)13(19)7-11/h5-8,10H,1-4,9H2,(H,20,21,23)
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n/an/an/an/a 2.60E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161691
PNG
(CHEMBL180172 | N-{3-[3-(5-Chloro-thiazol-2-yl)-1-c...)
Show SMILES CC(=O)Nc1cccc(c1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C18H21ClN4O2S/c1-12(24)21-14-7-4-8-15(9-14)23(11-13-5-2-3-6-13)18(25)22-17-20-10-16(19)26-17/h4,7-10,13H,2-3,5-6,11H2,1H3,(H,21,24)(H,20,22,25)
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n/an/an/an/a 300n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161694
PNG
(3-(5-Bromo-thiazol-2-yl)-1-(4-methanesulfonyl-phen...)
Show SMILES CS(=O)(=O)c1ccc(cc1)N(Cc1ccsc1)C(=O)Nc1ncc(Br)s1
Show InChI InChI=1S/C16H14BrN3O3S3/c1-26(22,23)13-4-2-12(3-5-13)20(9-11-6-7-24-10-11)16(21)19-15-18-8-14(17)25-15/h2-8,10H,9H2,1H3,(H,18,19,21)
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n/an/an/an/a 6.50E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161693
PNG
(3-(5-Chloro-thiazol-2-yl)-1-(4-methanesulfonyl-phe...)
Show SMILES CS(=O)(=O)c1ccc(cc1)N(CC1CCCO1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C16H18ClN3O4S2/c1-26(22,23)13-6-4-11(5-7-13)20(10-12-3-2-8-24-12)16(21)19-15-18-9-14(17)25-15/h4-7,9,12H,2-3,8,10H2,1H3,(H,18,19,21)
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n/an/an/an/a 2.16E+4n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161668
PNG
(1-Cyclopentylmethyl-1-(4-methanesulfonyl-phenyl)-3...)
Show SMILES CS(=O)(=O)c1ccc(cc1)N(CC1CCCC1)C(=O)Nc1nccs1
Show InChI InChI=1S/C17H21N3O3S2/c1-25(22,23)15-8-6-14(7-9-15)20(12-13-4-2-3-5-13)17(21)19-16-18-10-11-24-16/h6-11,13H,2-5,12H2,1H3,(H,18,19,21)
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n/an/an/an/a 9.70E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 15 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161695
PNG
(1-(4-Bromo-3-fluoro-phenyl)-3-(5-chloro-thiazol-2-...)
Show SMILES Fc1cc(ccc1Br)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C16H16BrClFN3OS/c17-12-6-5-11(7-13(12)19)22(9-10-3-1-2-4-10)16(23)21-15-20-8-14(18)24-15/h5-8,10H,1-4,9H2,(H,20,21,23)
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n/an/an/an/a 700n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161692
PNG
(1-(3-Chloro-4-methyl-phenyl)-3-(5-chloro-thiazol-2...)
Show SMILES Cc1ccc(cc1Cl)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C17H19Cl2N3OS/c1-11-6-7-13(8-14(11)18)22(10-12-4-2-3-5-12)17(23)21-16-20-9-15(19)24-16/h6-9,12H,2-5,10H2,1H3,(H,20,21,23)
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n/an/an/an/a 400n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161668
PNG
(1-Cyclopentylmethyl-1-(4-methanesulfonyl-phenyl)-3...)
Show SMILES CS(=O)(=O)c1ccc(cc1)N(CC1CCCC1)C(=O)Nc1nccs1
Show InChI InChI=1S/C17H21N3O3S2/c1-25(22,23)15-8-6-14(7-9-15)20(12-13-4-2-3-5-13)17(21)19-16-18-10-11-24-16/h6-11,13H,2-5,12H2,1H3,(H,18,19,21)
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n/an/an/an/a 1.60E+4n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161669
PNG
(1-Cyclopentylmethyl-1-(6-methoxy-pyridin-3-yl)-3-(...)
Show SMILES COc1ccc(cn1)N(CC1CCCC1)C(=O)Nc1nc(O)cs1
Show InChI InChI=1S/C16H20N4O3S/c1-23-14-7-6-12(8-17-14)20(9-11-4-2-3-5-11)16(22)19-15-18-13(21)10-24-15/h6-8,10-11,21H,2-5,9H2,1H3,(H,18,19,22)
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n/an/an/an/a 2.91E+4n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161670
PNG
(3-[3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-u...)
Show SMILES NC(=O)c1cccc(c1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C17H19ClN4O2S/c18-14-9-20-16(25-14)21-17(24)22(10-11-4-1-2-5-11)13-7-3-6-12(8-13)15(19)23/h3,6-9,11H,1-2,4-5,10H2,(H2,19,23)(H,20,21,24)
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n/an/an/an/a 1.00E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161671
PNG
(3-(5-Bromo-thiazol-2-yl)-1-(4-methanesulfonyl-phen...)
Show SMILES CS(=O)(=O)c1ccc(cc1)N(Cc1nccs1)C(=O)Nc1ncc(Br)s1
Show InChI InChI=1S/C15H13BrN4O3S3/c1-26(22,23)11-4-2-10(3-5-11)20(9-13-17-6-7-24-13)15(21)19-14-18-8-12(16)25-14/h2-8H,9H2,1H3,(H,18,19,21)
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n/an/an/an/a 2.41E+4n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161672
PNG
(3-(5-Bromo-thiazol-2-yl)-1-cyclopentylmethyl-1-(6-...)
Show SMILES COc1ccc(cn1)N(CC1CCCC1)C(=O)Nc1ncc(Br)s1
Show InChI InChI=1S/C16H19BrN4O2S/c1-23-14-7-6-12(8-18-14)21(10-11-4-2-3-5-11)16(22)20-15-19-9-13(17)24-15/h6-9,11H,2-5,10H2,1H3,(H,19,20,22)
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n/an/an/an/a 2.00E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161673
PNG
(1-Cyclopentylmethyl-1-(4-methanesulfonyl-phenyl)-3...)
Show SMILES CS(=O)(=O)c1ccc(cc1)N(CC1CCCC1)C(=O)Nc1nnc(s1)C(F)(F)F
Show InChI InChI=1S/C17H19F3N4O3S2/c1-29(26,27)13-8-6-12(7-9-13)24(10-11-4-2-3-5-11)16(25)21-15-23-22-14(28-15)17(18,19)20/h6-9,11H,2-5,10H2,1H3,(H,21,23,25)
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n/an/an/an/a 3.42E+4n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
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 1.00E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 15 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

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


(Rattus norvegicus)
BDBM50161676
PNG
(1-Cyclopentylmethyl-1-(3,4-difluoro-phenyl)-3-thia...)
Show SMILES Fc1ccc(cc1F)N(CC1CCCC1)C(=O)Nc1nccs1
Show InChI InChI=1S/C16H17F2N3OS/c17-13-6-5-12(9-14(13)18)21(10-11-3-1-2-4-11)16(22)20-15-19-7-8-23-15/h5-9,11H,1-4,10H2,(H,19,20,22)
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n/an/an/an/a 1.63E+4n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161677
PNG
(4-[3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-u...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C16H19ClN4O3S2/c17-14-9-19-15(25-14)20-16(22)21(10-11-3-1-2-4-11)12-5-7-13(8-6-12)26(18,23)24/h5-9,11H,1-4,10H2,(H2,18,23,24)(H,19,20,22)
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n/an/an/an/a 1.80E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50321004
PNG
((R)-2-(4-(Cyclopropylsulfonyl)phenyl)-N-(4-isoprop...)
Show SMILES CC(C)c1csc(NC(=O)[C@H](CC2CCOCC2)c2ccc(cc2)S(=O)(=O)C2CC2)n1
Show InChI InChI=1S/C23H30N2O4S2/c1-15(2)21-14-30-23(24-21)25-22(26)20(13-16-9-11-29-12-10-16)17-3-5-18(6-4-17)31(27,28)19-7-8-19/h3-6,14-16,19-20H,7-13H2,1-2H3,(H,24,25,26)/t20-/m1/s1
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n/an/an/an/a 26n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Induction of glucokinase-mediated 2-deoxy-D-[3H]glucose uptake in Sprague-Dawley rat hepatocytes after 4 hrs by liquid scintillation countingl


Bioorg Med Chem 18: 3875-84 (2010)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50394681
PNG
(CHEMBL2165620)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)C(F)(F)F)nc1
Show InChI InChI=1S/C18H19F3N4O3/c19-18(20,21)14-9-25(10-23-14)13(7-11-3-1-2-4-11)16(26)24-15-6-5-12(8-22-15)17(27)28/h5-6,8-11,13H,1-4,7H2,(H,27,28)(H,22,24,26)/t13-/m0/s1
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n/an/an/an/a 6.90E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of glucokinase in rat INS-1 cells assessed as stimulation of glucose-induced insulin secretion


J Med Chem 55: 1318-33 (2012)

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


(Rattus norvegicus)
BDBM50394682
PNG
(CHEMBL2165619)
Show SMILES Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)C(F)(F)F)nc1
Show InChI InChI=1S/C18H21F3N4O/c1-12-6-7-16(22-9-12)24-17(26)14(8-13-4-2-3-5-13)25-10-15(23-11-25)18(19,20)21/h6-7,9-11,13-14H,2-5,8H2,1H3,(H,22,24,26)/t14-/m0/s1
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n/an/an/an/a 153n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of glucokinase in rat INS-1 cells assessed as stimulation of glucose-induced insulin secretion


J Med Chem 55: 1318-33 (2012)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
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 900n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Induction of glucokinase translocation from nucleus to cytoplasm in cryopreserved rat hepatocytes after 1 hr by Hoechst staining-based fluorescence m...


J Med Chem 55: 1318-33 (2012)

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


(Rattus norvegicus)
BDBM50394681
PNG
(CHEMBL2165620)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)C(F)(F)F)nc1
Show InChI InChI=1S/C18H19F3N4O3/c19-18(20,21)14-9-25(10-23-14)13(7-11-3-1-2-4-11)16(26)24-15-6-5-12(8-22-15)17(27)28/h5-6,8-11,13H,1-4,7H2,(H,27,28)(H,22,24,26)/t13-/m0/s1
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n/an/an/an/a 190n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Induction of glucokinase translocation from nucleus to cytoplasm in cryopreserved rat hepatocytes after 1 hr by Hoechst staining-based fluorescence m...


J Med Chem 55: 1318-33 (2012)

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


(Rattus norvegicus)
BDBM50401849
PNG
(CHEMBL2204663)
Show SMILES CCn1cc2c(Oc3cnc(C(=O)N4CCC4)c(F)c3)cc(cc2n1)C(=O)Nc1cnc(C)cn1
Show InChI InChI=1S/C24H22FN7O3/c1-3-32-13-17-19(30-32)7-15(23(33)29-21-12-26-14(2)10-27-21)8-20(17)35-16-9-18(25)22(28-11-16)24(34)31-5-4-6-31/h7-13H,3-6H2,1-2H3,(H,27,29,33)
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n/an/an/an/a 350n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of recombinant rat glucokinase assessed measuring rate of glucose 6-phosphate formation using G6PDH/NADP coupling


Bioorg Med Chem Lett 22: 7100-5 (2012)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50444409
PNG
(CHEMBL3091581)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)S(=O)(=O)C2CCC2)nc1
Show InChI InChI=1S/C21H26N4O5S/c26-20(24-18-9-8-15(11-22-18)21(27)28)17(10-14-4-1-2-5-14)25-12-19(23-13-25)31(29,30)16-6-3-7-16/h8-9,11-14,16-17H,1-7,10H2,(H,27,28)(H,22,24,26)/t17-/m0/s1
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n/an/an/an/a 1.74E+5n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of glucokinase in rat INS-1 cells assessed as glucose-stimulated insulin secretion


Bioorg Med Chem Lett 23: 6588-92 (2013)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50444410
PNG
(CHEMBL3091580)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)S(=O)(=O)C2CC2)nc1
Show InChI InChI=1S/C20H24N4O5S/c25-19(23-17-8-5-14(10-21-17)20(26)27)16(9-13-3-1-2-4-13)24-11-18(22-12-24)30(28,29)15-6-7-15/h5,8,10-13,15-16H,1-4,6-7,9H2,(H,26,27)(H,21,23,25)/t16-/m0/s1
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n/an/an/an/a 2.60E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of glucokinase in rat INS-1 cells assessed as glucose-stimulated insulin secretion


Bioorg Med Chem Lett 23: 6588-92 (2013)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161675
PNG
(3-(5-Chloro-thiazol-2-yl)-1-(4-methanesulfonyl-phe...)
Show SMILES CS(=O)(=O)c1ccc(cc1)N(Cc1ccsc1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C16H14ClN3O3S3/c1-26(22,23)13-4-2-12(3-5-13)20(9-11-6-7-24-10-11)16(21)19-15-18-8-14(17)25-15/h2-8,10H,9H2,1H3,(H,18,19,21)
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n/an/an/an/a 6.80E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161680
PNG
(3-(5-Chloro-thiazol-2-yl)-1-furan-2-ylmethyl-1-(4-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)N(Cc1ccco1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C16H14ClN3O4S2/c1-26(22,23)13-6-4-11(5-7-13)20(10-12-3-2-8-24-12)16(21)19-15-18-9-14(17)25-15/h2-9H,10H2,1H3,(H,18,19,21)
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n/an/an/an/a 1.15E+4n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)

More data for this
Ligand-Target Pair