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Compile Data Set for Download or QSAR

Found 1380 hits Enz. Inhib. hit(s) with Target = 'Glucokinase'   
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
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50239048
PNG
(CHEMBL4067028)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccccn1
Show InChI InChI=1/C24H22N4O4S/c1-28-21(7-9-24(28)29)17-13-19-15(11-20(27-19)18-5-3-4-10-25-18)12-22(17)32-16-6-8-23(26-14-16)33(2,30)31/h3-6,8,10-14,21,27H,7,9H2,1-2H3
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n/an/an/an/a 0.800n/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


Assay Description
Inhibition of cAMP PDE II enzyme


Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50239045
PNG
(CHEMBL4083339)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccc(cn1)C(F)(F)F
Show InChI InChI=1/C25H21F3N4O4S/c1-32-21(6-8-24(32)33)17-11-19-14(9-20(31-19)18-5-3-15(12-29-18)25(26,27)28)10-22(17)36-16-4-7-23(30-13-16)37(2,34)35/h3-5,7,9-13,21,31H,6,8H2,1-2H3
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n/an/an/an/a<0.850n/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 10 mM glucose by G6PDH couple...


Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50239040
PNG
(CHEMBL4086771)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ncc(C)s1
Show InChI InChI=1/C23H22N4O4S2/c1-13-11-25-23(32-13)18-8-14-9-20(31-15-4-6-21(24-12-15)33(3,29)30)16(10-17(14)26-18)19-5-7-22(28)27(19)2/h4,6,8-12,19,26H,5,7H2,1-3H3
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n/an/an/an/a 1n/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 10 mM glucose by G6PDH couple...


Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50239049
PNG
(CHEMBL4086782)
Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2ccc(cn2)C(F)(F)F)cc1
Show InChI InChI=1/C27H24F3N3O4S/c1-3-38(35,36)19-7-5-18(6-8-19)37-25-13-16-12-23(21-9-4-17(15-31-21)27(28,29)30)32-22(16)14-20(25)24-10-11-26(34)33(24)2/h4-9,12-15,24,32H,3,10-11H2,1-2H3
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n/an/an/an/a 1.40n/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


Assay Description
Inhibition of cAMP PDE II enzyme


Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM249124
PNG
(US9453038, 1)
Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2ccc(CCC(=O)OC)cn2)cc1
Show InChI InChI=1/C30H31N3O6S/c1-4-40(36,37)22-9-7-21(8-10-22)39-28-16-20-15-26(24-11-5-19(18-31-24)6-14-30(35)38-3)32-25(20)17-23(28)27-12-13-29(34)33(27)2/h5,7-11,15-18,27,32H,4,6,12-14H2,1-3H3
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US Patent
n/an/an/an/a 1.90n/an/an/a30



Merck Sharp & Dohme Corp

US Patent


Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E....


US Patent US9453038 (2016)


BindingDB Entry DOI: 10.7270/Q23X85KK
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50239049
PNG
(CHEMBL4086782)
Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2ccc(cn2)C(F)(F)F)cc1
Show InChI InChI=1/C27H24F3N3O4S/c1-3-38(35,36)19-7-5-18(6-8-19)37-25-13-16-12-23(21-9-4-17(15-31-21)27(28,29)30)32-22(16)14-20(25)24-10-11-26(34)33(24)2/h4-9,12-15,24,32H,3,10-11H2,1-2H3
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n/an/an/an/a 2n/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 2.5 mM glucose by G6PDH coupl...


Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM249145
PNG
(US9453038, 23)
Show SMILES COC(=O)CCc1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2cnccn2)cc1
Show InChI InChI=1/C27H26N4O4/c1-31-24(8-9-26(31)32)20-15-21-18(13-22(30-21)23-16-28-11-12-29-23)14-25(20)35-19-6-3-17(4-7-19)5-10-27(33)34-2/h3-4,6-7,11-16,24,30H,5,8-10H2,1-2H3
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n/an/an/an/a 2.10n/an/an/a30



Merck Sharp & Dohme Corp

US Patent


Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E....


US Patent US9453038 (2016)


BindingDB Entry DOI: 10.7270/Q23X85KK
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50239046
PNG
(CHEMBL4068048)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccc(cn1)C(C)(C)O
Show InChI InChI=1/C27H28N4O5S/c1-27(2,33)17-5-7-20(28-14-17)22-11-16-12-24(36-18-6-9-25(29-15-18)37(4,34)35)19(13-21(16)30-22)23-8-10-26(32)31(23)3/h5-7,9,11-15,23,30,33H,8,10H2,1-4H3
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n/an/an/an/a 2.10n/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


Assay Description
Inhibition of cGMP PDE II enzyme


Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50239048
PNG
(CHEMBL4067028)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccccn1
Show InChI InChI=1/C24H22N4O4S/c1-28-21(7-9-24(28)29)17-13-19-15(11-20(27-19)18-5-3-4-10-25-18)12-22(17)32-16-6-8-23(26-14-16)33(2,30)31/h3-6,8,10-14,21,27H,7,9H2,1-2H3
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n/an/an/an/a 2.40n/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 10 mM glucose by G6PDH couple...


Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50239045
PNG
(CHEMBL4083339)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccc(cn1)C(F)(F)F
Show InChI InChI=1/C25H21F3N4O4S/c1-32-21(6-8-24(32)33)17-11-19-14(9-20(31-19)18-5-3-15(12-29-18)25(26,27)28)10-22(17)36-16-4-7-23(30-13-16)37(2,34)35/h3-5,7,9-13,21,31H,6,8H2,1-2H3
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n/an/an/an/a 2.40n/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 2.5 mM glucose by G6PDH coupl...


Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50239044
PNG
(CHEMBL4104680)
Show SMILES COC(=O)c1ccc(nc1)-c1cc2cc(Oc3ccc(nc3)S(C)(=O)=O)c(cc2[nH]1)C1CCC(=O)N1C
Show InChI InChI=1/C26H24N4O6S/c1-30-22(7-9-25(30)31)18-12-20-16(10-21(29-20)19-6-4-15(13-27-19)26(32)35-2)11-23(18)36-17-5-8-24(28-14-17)37(3,33)34/h4-6,8,10-14,22,29H,7,9H2,1-3H3
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n/an/an/an/a 3.40n/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 10 mM glucose by G6PDH couple...


Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50239048
PNG
(CHEMBL4067028)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccccn1
Show InChI InChI=1/C24H22N4O4S/c1-28-21(7-9-24(28)29)17-13-19-15(11-20(27-19)18-5-3-4-10-25-18)12-22(17)32-16-6-8-23(26-14-16)33(2,30)31/h3-6,8,10-14,21,27H,7,9H2,1-2H3
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n/an/an/an/a 3.70n/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 2.5 mM glucose by G6PDH coupl...


Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50239040
PNG
(CHEMBL4086771)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ncc(C)s1
Show InChI InChI=1/C23H22N4O4S2/c1-13-11-25-23(32-13)18-8-14-9-20(31-15-4-6-21(24-12-15)33(3,29)30)16(10-17(14)26-18)19-5-7-22(28)27(19)2/h4,6,8-12,19,26H,5,7H2,1-3H3
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n/an/an/an/a 3.80n/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 10 mM glucose by G6PDH couple...


Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM249137
PNG
(US9453038, 15)
Show SMILES COC(=O)CCc1ccc(nc1)-c1cc2cc(Oc3ccc(cc3)S(C)(=O)=O)c(cc2[nH]1)C1CCC(=O)N1C
Show InChI InChI=1/C29H29N3O6S/c1-32-26(11-12-28(32)33)22-16-24-19(15-27(22)38-20-6-8-21(9-7-20)39(3,35)36)14-25(31-24)23-10-4-18(17-30-23)5-13-29(34)37-2/h4,6-10,14-17,26,31H,5,11-13H2,1-3H3
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n/an/an/an/a 3.80n/an/an/a30



Merck Sharp & Dohme Corp

US Patent


Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E....


US Patent US9453038 (2016)


BindingDB Entry DOI: 10.7270/Q23X85KK
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50239048
PNG
(CHEMBL4067028)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccccn1
Show InChI InChI=1/C24H22N4O4S/c1-28-21(7-9-24(28)29)17-13-19-15(11-20(27-19)18-5-3-4-10-25-18)12-22(17)32-16-6-8-23(26-14-16)33(2,30)31/h3-6,8,10-14,21,27H,7,9H2,1-2H3
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n/an/an/an/a 4.20n/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 2.5 mM glucose by G6PDH coupl...


Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50239047
PNG
(CHEMBL4078915)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1cnccn1
Show InChI InChI=1/C23H21N5O4S/c1-28-20(4-6-23(28)29)16-11-17-14(9-18(27-17)19-13-24-7-8-25-19)10-21(16)32-15-3-5-22(26-12-15)33(2,30)31/h3,5,7-13,20,27H,4,6H2,1-2H3
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n/an/an/an/a 4.20n/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 10 mM glucose by G6PDH couple...


Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM249148
PNG
(US9453038, 26)
Show SMILES COC(=O)CCc1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2ccccn2)cc1
Show InChI InChI=1/C28H27N3O4/c1-31-25(11-12-27(31)32)21-17-23-19(15-24(30-23)22-5-3-4-14-29-22)16-26(21)35-20-9-6-18(7-10-20)8-13-28(33)34-2/h3-7,9-10,14-17,25,30H,8,11-13H2,1-2H3
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n/an/an/an/a 4.30n/an/an/a30



Merck Sharp & Dohme Corp

US Patent


Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E....


US Patent US9453038 (2016)


BindingDB Entry DOI: 10.7270/Q23X85KK
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50239047
PNG
(CHEMBL4078915)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1cnccn1
Show InChI InChI=1/C23H21N5O4S/c1-28-20(4-6-23(28)29)16-11-17-14(9-18(27-17)19-13-24-7-8-25-19)10-21(16)32-15-3-5-22(26-12-15)33(2,30)31/h3,5,7-13,20,27H,4,6H2,1-2H3
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n/an/an/an/a 4.5n/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 2.5 mM glucose by G6PDH coupl...


Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50239040
PNG
(CHEMBL4086771)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ncc(C)s1
Show InChI InChI=1/C23H22N4O4S2/c1-13-11-25-23(32-13)18-8-14-9-20(31-15-4-6-21(24-12-15)33(3,29)30)16(10-17(14)26-18)19-5-7-22(28)27(19)2/h4,6,8-12,19,26H,5,7H2,1-3H3
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n/an/an/an/a 4.5n/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 2.5 mM glucose by G6PDH coupl...


Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50239043
PNG
(CHEMBL4067037)
Show SMILES CCOC(=O)c1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2ccc(cn2)C(F)(F)F)cc1
Show InChI InChI=1/C28H24F3N3O4/c1-3-37-27(36)16-4-7-19(8-5-16)38-25-13-17-12-23(21-9-6-18(15-32-21)28(29,30)31)33-22(17)14-20(25)24-10-11-26(35)34(24)2/h4-9,12-15,24,33H,3,10-11H2,1-2H3
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n/an/an/an/a 4.80n/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 2.5 mM glucose by G6PDH coupl...


Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50239046
PNG
(CHEMBL4068048)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccc(cn1)C(C)(C)O
Show InChI InChI=1/C27H28N4O5S/c1-27(2,33)17-5-7-20(28-14-17)22-11-16-12-24(36-18-6-9-25(29-15-18)37(4,34)35)19(13-21(16)30-22)23-8-10-26(32)31(23)3/h5-7,9,11-15,23,30,33H,8,10H2,1-4H3
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n/an/an/an/a 4.80n/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 2.5 mM glucose by G6PDH coupl...


Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50008283
PNG
(CHEMBL3235148)
Show SMILES CCNC(=O)Cc1csc(NC(=O)c2cc(Oc3ccc(cc3)S(C)(=O)=O)cc(c2)-c2ncccc2C)n1
Show InChI InChI=1S/C27H26N4O5S2/c1-4-28-24(32)15-20-16-37-27(30-20)31-26(33)19-12-18(25-17(2)6-5-11-29-25)13-22(14-19)36-21-7-9-23(10-8-21)38(3,34)35/h5-14,16H,4,15H2,1-3H3,(H,28,32)(H,30,31,33)
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n/an/an/an/a 5n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose by spectrophotometry


Bioorg Med Chem 22: 2280-93 (2014)


Article DOI: 10.1016/j.bmc.2014.02.009
BindingDB Entry DOI: 10.7270/Q2959K3X
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50239040
PNG
(CHEMBL4086771)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ncc(C)s1
Show InChI InChI=1/C23H22N4O4S2/c1-13-11-25-23(32-13)18-8-14-9-20(31-15-4-6-21(24-12-15)33(3,29)30)16(10-17(14)26-18)19-5-7-22(28)27(19)2/h4,6,8-12,19,26H,5,7H2,1-3H3
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n/an/an/an/a 5.5n/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 2.5 mM glucose by G6PDH coupl...


Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM260385
PNG
(US9527838, 13)
Show SMILES COc1ccc(Sc2ccc(Sc3ccccn3)nc2C(=O)Nc2nc(CC(O)=O)c(Cl)s2)cc1
Show InChI InChI=1S/C23H17ClN4O4S3/c1-32-13-5-7-14(8-6-13)33-16-9-10-18(34-17-4-2-3-11-25-17)27-20(16)22(31)28-23-26-15(12-19(29)30)21(24)35-23/h2-11H,12H2,1H3,(H,29,30)(H,26,28,31)
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n/an/an/an/a 5.70n/an/an/an/a



Discovery, Preclinical and Early Development, Merck & Co., Inc., 2015 Galloping Hill Rd, Kenilworth, NJ 07033, USA. Electronic address: Jiayi_xu@merck.com.

Curated by ChEMBL


Assay Description
Inhibition of cAMP PDE II enzyme


Bioorg Med Chem Lett 27: 2063-2068 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.088
BindingDB Entry DOI: 10.7270/Q2F191V1
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50089180
PNG
(CHEMBL3577735)
Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(OCCN2CCCC2)c1
Show InChI InChI=1/C29H34N4O4/c1-22(21-35-3)37-27-19-24(17-25(20-27)29(34)30-28-11-14-32(2)31-28)10-9-23-7-6-8-26(18-23)36-16-15-33-12-4-5-13-33/h6-8,11,14,17-20,22H,4-5,12-13,15-16,21H2,1-3H3,(H,30,31,34)/t22-/s2
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n/an/an/an/a 6n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay


ACS Med Chem Lett 6: 296-301 (2015)


Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50089108
PNG
(CHEMBL3577727)
Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(NCCN(C)C)c1
Show InChI InChI=1/C27H33N5O3/c1-20(19-34-5)35-25-17-22(15-23(18-25)27(33)29-26-11-13-32(4)30-26)10-9-21-7-6-8-24(16-21)28-12-14-31(2)3/h6-8,11,13,15-18,20,28H,12,14,19H2,1-5H3,(H,29,30,33)/t20-/s2
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n/an/an/an/a 6n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay


ACS Med Chem Lett 6: 296-301 (2015)


Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50089139
PNG
(CHEMBL3577715)
Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#CCOC1CCCCO1
Show InChI InChI=1/C23H29N3O5/c1-17(16-28-3)31-20-14-18(7-6-12-30-22-8-4-5-11-29-22)13-19(15-20)23(27)24-21-9-10-26(2)25-21/h9-10,13-15,17,22H,4-5,8,11-12,16H2,1-3H3,(H,24,25,27)/t17-,22?/s2
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n/an/an/an/a 6n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay


ACS Med Chem Lett 6: 296-301 (2015)


Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50089135
PNG
(CHEMBL3577729)
Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(NCCN2CCCCC2)c1
Show InChI InChI=1/C30H37N5O3/c1-23(22-37-3)38-28-20-25(18-26(21-28)30(36)32-29-12-16-34(2)33-29)11-10-24-8-7-9-27(19-24)31-13-17-35-14-5-4-6-15-35/h7-9,12,16,18-21,23,31H,4-6,13-15,17,22H2,1-3H3,(H,32,33,36)/t23-/s2
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n/an/an/an/a 6n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay


ACS Med Chem Lett 6: 296-301 (2015)


Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50089134
PNG
(CHEMBL3577728)
Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(NCCN2CCCC2)c1
Show InChI InChI=1/C29H35N5O3/c1-22(21-36-3)37-27-19-24(17-25(20-27)29(35)31-28-11-15-33(2)32-28)10-9-23-7-6-8-26(18-23)30-12-16-34-13-4-5-14-34/h6-8,11,15,17-20,22,30H,4-5,12-14,16,21H2,1-3H3,(H,31,32,35)/t22-/s2
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n/an/an/an/a 6n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay


ACS Med Chem Lett 6: 296-301 (2015)


Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50089181
PNG
(CHEMBL3577736)
Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(OCCN2CCCCC2)c1
Show InChI InChI=1/C30H36N4O4/c1-23(22-36-3)38-28-20-25(18-26(21-28)30(35)31-29-12-15-33(2)32-29)11-10-24-8-7-9-27(19-24)37-17-16-34-13-5-4-6-14-34/h7-9,12,15,18-21,23H,4-6,13-14,16-17,22H2,1-3H3,(H,31,32,35)/t23-/s2
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n/an/an/an/a 7n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay


ACS Med Chem Lett 6: 296-301 (2015)


Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50008306
PNG
(CHEMBL3235155)
Show SMILES COCC(C)NCc1csc(NC(=O)c2cc(Oc3ccc(cc3)S(C)(=O)=O)cc(c2)-c2ncccc2C)n1
Show InChI InChI=1/C28H30N4O5S2/c1-18-6-5-11-29-26(18)20-12-21(14-24(13-20)37-23-7-9-25(10-8-23)39(4,34)35)27(33)32-28-31-22(17-38-28)15-30-19(2)16-36-3/h5-14,17,19,30H,15-16H2,1-4H3,(H,31,32,33)
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n/an/an/an/a 8n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose by spectrophotometry


Bioorg Med Chem 22: 2280-93 (2014)


Article DOI: 10.1016/j.bmc.2014.02.009
BindingDB Entry DOI: 10.7270/Q2959K3X
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50239044
PNG
(CHEMBL4104680)
Show SMILES COC(=O)c1ccc(nc1)-c1cc2cc(Oc3ccc(nc3)S(C)(=O)=O)c(cc2[nH]1)C1CCC(=O)N1C
Show InChI InChI=1/C26H24N4O6S/c1-30-22(7-9-25(30)31)18-12-20-16(10-21(29-20)19-6-4-15(13-27-19)26(32)35-2)11-23(18)36-17-5-8-24(28-14-17)37(3,33)34/h4-6,8,10-14,22,29H,7,9H2,1-3H3
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n/an/an/an/a 8.20n/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 2.5 mM glucose by G6PDH coupl...


Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM249157
PNG
(US9453038, 35)
Show SMILES COC(=O)CCc1cnc(s1)-c1cc2cc(Oc3ccc(cc3)S(C)(=O)=O)c(cc2[nH]1)C1CCC(=O)N1C
Show InChI InChI=1/C27H27N3O6S2/c1-30-23(9-10-25(30)31)20-14-21-16(13-24(20)36-17-4-7-19(8-5-17)38(3,33)34)12-22(29-21)27-28-15-18(37-27)6-11-26(32)35-2/h4-5,7-8,12-15,23,29H,6,9-11H2,1-3H3
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US Patent
n/an/an/an/a 8.90n/an/an/a30



Merck Sharp & Dohme Corp

US Patent


Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E....


US Patent US9453038 (2016)


BindingDB Entry DOI: 10.7270/Q23X85KK
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50089177
PNG
(CHEMBL3577732)
Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(NCCn2ccnc2C)c1
Show InChI InChI=1/C29H32N6O3/c1-21(20-37-4)38-27-18-24(16-25(19-27)29(36)32-28-10-13-34(3)33-28)9-8-23-6-5-7-26(17-23)31-12-15-35-14-11-30-22(35)2/h5-7,10-11,13-14,16-19,21,31H,12,15,20H2,1-4H3,(H,32,33,36)/t21-/s2
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n/an/an/an/a 9n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay


ACS Med Chem Lett 6: 296-301 (2015)


Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50239043
PNG
(CHEMBL4067037)
Show SMILES CCOC(=O)c1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2ccc(cn2)C(F)(F)F)cc1
Show InChI InChI=1/C28H24F3N3O4/c1-3-37-27(36)16-4-7-19(8-5-16)38-25-13-17-12-23(21-9-6-18(15-32-21)28(29,30)31)33-22(17)14-20(25)24-10-11-26(35)34(24)2/h4-9,12-15,24,33H,3,10-11H2,1-2H3
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n/an/an/an/a 9.20n/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 10 mM glucose by G6PDH couple...


Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50239042
PNG
(CHEMBL4094511)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(cc1)C(O)=O)-c1ccc(cn1)C(F)(F)F
Show InChI InChI=1/C26H20F3N3O4/c1-32-22(8-9-24(32)33)18-12-20-15(11-23(18)36-17-5-2-14(3-6-17)25(34)35)10-21(31-20)19-7-4-16(13-30-19)26(27,28)29/h2-7,10-13,22,31H,8-9H2,1H3,(H,34,35)
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n/an/an/an/a 9.60n/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 10 mM glucose by G6PDH couple...


Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM260404
PNG
(US9527838, 32)
Show SMILES OC(=O)Cc1nc(NC(=O)c2nc(Sc3ccccn3)ccc2Sc2ccc(F)cc2)sc1Cl
Show InChI InChI=1S/C22H14ClFN4O3S3/c23-20-14(11-18(29)30)26-22(34-20)28-21(31)19-15(32-13-6-4-12(24)5-7-13)8-9-17(27-19)33-16-3-1-2-10-25-16/h1-10H,11H2,(H,29,30)(H,26,28,31)
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n/an/an/an/a 9.60n/an/an/an/a



Discovery, Preclinical and Early Development, Merck & Co., Inc., 2015 Galloping Hill Rd, Kenilworth, NJ 07033, USA. Electronic address: Jiayi_xu@merck.com.

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 10 mM glucose by G6PDH couple...


Bioorg Med Chem Lett 27: 2063-2068 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.088
BindingDB Entry DOI: 10.7270/Q2F191V1
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50239046
PNG
(CHEMBL4068048)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccc(cn1)C(C)(C)O
Show InChI InChI=1/C27H28N4O5S/c1-27(2,33)17-5-7-20(28-14-17)22-11-16-12-24(36-18-6-9-25(29-15-18)37(4,34)35)19(13-21(16)30-22)23-8-10-26(32)31(23)3/h5-7,9,11-15,23,30,33H,8,10H2,1-4H3
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n/an/an/an/a 9.80n/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 10 mM glucose by G6PDH couple...


Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50300593
PNG
(3-methyl-2-(4-(1-methyl-1H-pyrazol-3-ylamino)quina...)
Show SMILES Cc1cccc(C#N)c1Oc1ccc2ncnc(Nc3ccn(C)n3)c2c1
Show InChI InChI=1S/C20H16N6O/c1-13-4-3-5-14(11-21)19(13)27-15-6-7-17-16(10-15)20(23-12-22-17)24-18-8-9-26(2)25-18/h3-10,12H,1-2H3,(H,22,23,24,25)
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n/an/an/an/a 10n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of N-terminal His-tagged human recombinant liver glucokinase expressed in Escherichia coli BL21 (DE3) by glucose-6-phosphate dehydrogenase...


Bioorg Med Chem Lett 19: 5531-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.064
BindingDB Entry DOI: 10.7270/Q2QR4X63
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM249127
PNG
(US9453038, 4)
Show SMILES COC(=O)CCc1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2ccc(cn2)C(F)(F)F)cc1
Show InChI InChI=1/C29H26F3N3O4/c1-35-25(10-11-27(35)36)21-15-23-18(13-24(34-23)22-9-6-19(16-33-22)29(30,31)32)14-26(21)39-20-7-3-17(4-8-20)5-12-28(37)38-2/h3-4,6-9,13-16,25,34H,5,10-12H2,1-2H3
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US Patent
n/an/an/an/a 11.4n/an/an/a30



Merck Sharp & Dohme Corp

US Patent


Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E....


US Patent US9453038 (2016)


BindingDB Entry DOI: 10.7270/Q23X85KK
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50145874
PNG
(CHEMBL3764079)
Show SMILES CS(=O)(=O)c1ccc(cc1Cl)C(=C\C1CCCC1)\c1cc2cccnc2[nH]1
Show InChI InChI=1S/C21H21ClN2O2S/c1-27(25,26)20-9-8-15(12-18(20)22)17(11-14-5-2-3-6-14)19-13-16-7-4-10-23-21(16)24-19/h4,7-14H,2-3,5-6H2,1H3,(H,23,24)/b17-11-
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n/an/an/an/a 12n/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...


J Med Chem 59: 687-706 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01594
BindingDB Entry DOI: 10.7270/Q2CF9S0F
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50089173
PNG
(CHEMBL3577720)
Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1ccc2[nH]ccc2c1
Show InChI InChI=1/C25H24N4O3/c1-17(16-31-3)32-22-14-19(5-4-18-6-7-23-20(12-18)8-10-26-23)13-21(15-22)25(30)27-24-9-11-29(2)28-24/h6-15,17,26H,16H2,1-3H3,(H,27,28,30)/t17-/s2
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n/an/an/an/a 12n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay


ACS Med Chem Lett 6: 296-301 (2015)


Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM249134
PNG
(US9453038, 10)
Show SMILES COC(=O)CCc1ccc(nc1)-c1cc2cc(Oc3ccc(nc3)C(=O)N3CCC3)c(cc2[nH]1)C1CCCN1C(C)=O
Show InChI InChI=1/C32H33N5O5/c1-20(38)37-14-3-5-29(37)24-17-27-22(15-28(35-27)25-9-6-21(18-33-25)7-11-31(39)41-2)16-30(24)42-23-8-10-26(34-19-23)32(40)36-12-4-13-36/h6,8-10,15-19,29,35H,3-5,7,11-14H2,1-2H3
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n/an/an/an/a 13.9n/an/an/a30



Merck Sharp & Dohme Corp

US Patent


Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E....


US Patent US9453038 (2016)


BindingDB Entry DOI: 10.7270/Q23X85KK
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50041606
PNG
(CHEMBL3358432)
Show SMILES CCc1ncccc1Oc1cc(CC2CCCCC2)cnc1NC(=O)NC
Show InChI InChI=1S/C21H28N4O2/c1-3-17-18(10-7-11-23-17)27-19-13-16(12-15-8-5-4-6-9-15)14-24-20(19)25-21(26)22-2/h7,10-11,13-15H,3-6,8-9,12H2,1-2H3,(H2,22,24,25,26)
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n/an/an/an/a 14n/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose


ACS Med Chem Lett 5: 1284-9 (2014)


Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM260383
PNG
(US9527838, 11)
Show SMILES COc1ccc(Sc2ccc(Sc3ccccn3)nc2C(=O)Nc2ncc(SCC(O)=O)s2)cc1
Show InChI InChI=1S/C23H18N4O4S4/c1-31-14-5-7-15(8-6-14)33-16-9-10-18(34-17-4-2-3-11-24-17)26-21(16)22(30)27-23-25-12-20(35-23)32-13-19(28)29/h2-12H,13H2,1H3,(H,28,29)(H,25,27,30)
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n/an/an/an/a 14n/an/an/an/a



Discovery, Preclinical and Early Development, Merck & Co., Inc., 2015 Galloping Hill Rd, Kenilworth, NJ 07033, USA. Electronic address: Jiayi_xu@merck.com.

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 10 mM glucose by G6PDH couple...


Bioorg Med Chem Lett 27: 2063-2068 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.088
BindingDB Entry DOI: 10.7270/Q2F191V1
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM249146
PNG
(US9453038, 24)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(CCC(O)=O)cc1)-c1ccccn1
Show InChI InChI=1/C27H25N3O4/c1-30-24(10-11-26(30)31)20-16-22-18(14-23(29-22)21-4-2-3-13-28-21)15-25(20)34-19-8-5-17(6-9-19)7-12-27(32)33/h2-6,8-9,13-16,24,29H,7,10-12H2,1H3,(H,32,33)
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n/an/an/an/a 15.1n/an/an/a30



Merck Sharp & Dohme Corp

US Patent


Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E....


US Patent US9453038 (2016)


BindingDB Entry DOI: 10.7270/Q23X85KK
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50089218
PNG
(CHEMBL3577737)
Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(OCCN2CCOCC2)c1
Show InChI InChI=1/C29H34N4O5/c1-22(21-35-3)38-27-19-24(17-25(20-27)29(34)30-28-9-10-32(2)31-28)8-7-23-5-4-6-26(18-23)37-16-13-33-11-14-36-15-12-33/h4-6,9-10,17-20,22H,11-16,21H2,1-3H3,(H,30,31,34)/t22-/s2
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n/an/an/an/a 16n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay


ACS Med Chem Lett 6: 296-301 (2015)


Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM249146
PNG
(US9453038, 24)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(CCC(O)=O)cc1)-c1ccccn1
Show InChI InChI=1/C27H25N3O4/c1-30-24(10-11-26(30)31)20-16-22-18(14-23(29-22)21-4-2-3-13-28-21)15-25(20)34-19-8-5-17(6-9-19)7-12-27(32)33/h2-6,8-9,13-16,24,29H,7,10-12H2,1H3,(H,32,33)
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n/an/an/an/a 17.1n/an/an/a30



Merck Sharp & Dohme Corp

US Patent


Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E....


US Patent US9453038 (2016)


BindingDB Entry DOI: 10.7270/Q23X85KK
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50239047
PNG
(CHEMBL4078915)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1cnccn1
Show InChI InChI=1/C23H21N5O4S/c1-28-20(4-6-23(28)29)16-11-17-14(9-18(27-17)19-13-24-7-8-25-19)10-21(16)32-15-3-5-22(26-12-15)33(2,30)31/h3,5,7-13,20,27H,4,6H2,1-2H3
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n/an/an/an/a 18n/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 10 mM glucose by G6PDH couple...


Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50183222
PNG
((S)-6-(3-isopropoxy-5-(1-phenylpropan-2-yloxy)benz...)
Show SMILES CC(C)Oc1cc(O[C@@H](C)Cc2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C25H26N2O5/c1-16(2)31-21-12-20(24(28)27-23-10-9-19(15-26-23)25(29)30)13-22(14-21)32-17(3)11-18-7-5-4-6-8-18/h4-10,12-17H,11H2,1-3H3,(H,29,30)(H,26,27,28)/t17-/m0/s1
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n/an/an/an/a 20n/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)


Article DOI: 10.1016/j.bmcl.2011.03.093
BindingDB Entry DOI: 10.7270/Q2Z038HG
More data for this
Ligand-Target Pair
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