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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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair