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PubMed code 26685731

Compile data set for download or QSAR
Found 33 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Hexokinase-4


(Homo sapiens (Human))		BDBM50145864
PNG
(CHEMBL3763283)
Show SMILES C[S+]([O-])c1ccc(cc1Cl)C(CC1CCCC1)c1[nH]c2ncccc2c1I
Show InChI InChI=1S/C21H22ClIN2OS/c1-27(26)18-9-8-14(12-17(18)22)16(11-13-5-2-3-6-13)20-19(23)15-7-4-10-24-21(15)25-20/h4,7-10,12-13,16H,2-3,5-6,11H2,1H3,(H,24,25)
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n/an/an/an/a 2.93E+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...

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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145899
PNG
(CHEMBL3765816)
Show SMILES CS(=O)(=O)c1ccc(cc1Cl)C(CC1CCCC1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C21H23ClN2O2S/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/h4,7-10,12-14,17H,2-3,5-6,11H2,1H3,(H,23,24)
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n/an/an/an/a 1.01E+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...

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
Hexokinase-4


(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 |r|
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...

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		3D
3D Structure (crystal)
Hexokinase-4


(Homo sapiens (Human))		BDBM50145870
PNG
(CHEMBL3763700)
Show SMILES COC(=O)\C=C\c1cnc2[nH]c(cc2c1)C(CC1CCCC1)c1ccc(c(Cl)c1)S(C)(=O)=O
Show InChI InChI=1S/C25H27ClN2O4S/c1-32-24(29)10-7-17-11-19-14-22(28-25(19)27-15-17)20(12-16-5-3-4-6-16)18-8-9-23(21(26)13-18)33(2,30)31/h7-11,13-16,20H,3-6,12H2,1-2H3,(H,27,28)/b10-7+
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n/an/an/an/a 695n/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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145871
PNG
(CHEMBL3764668)
Show SMILES CS(=O)(=O)c1ccc(cc1Cl)C(CC1CCCC1)c1cc2cc(Br)cnc2[nH]1
Show InChI InChI=1S/C21H22BrClN2O2S/c1-28(26,27)20-7-6-14(10-18(20)23)17(8-13-4-2-3-5-13)19-11-15-9-16(22)12-24-21(15)25-19/h6-7,9-13,17H,2-5,8H2,1H3,(H,24,25)
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n/an/an/an/a 115n/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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145878
PNG
(CHEMBL3765466)
Show SMILES C[S+]([O-])c1ccc(cc1Cl)C(O)(CC1CCCC1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C21H23ClN2O2S/c1-27(26)18-9-8-16(12-17(18)22)21(25,13-14-5-2-3-6-14)19-11-15-7-4-10-23-20(15)24-19/h4,7-12,14,25H,2-3,5-6,13H2,1H3,(H,23,24)
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n/an/an/an/a 1.87E+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...

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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145885
PNG
(CHEMBL3764824)
Show SMILES COC(=O)c1ccc(cc1Cl)C(CC1CCCC1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C22H23ClN2O2/c1-27-22(26)17-9-8-15(12-19(17)23)18(11-14-5-2-3-6-14)20-13-16-7-4-10-24-21(16)25-20/h4,7-10,12-14,18H,2-3,5-6,11H2,1H3,(H,24,25)
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n/an/an/an/a 173n/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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145894
PNG
(CHEMBL3763616)
Show SMILES NC(=O)c1ccc(cc1Cl)C(CC1CCCC1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C21H22ClN3O/c22-18-11-14(7-8-16(18)20(23)26)17(10-13-4-1-2-5-13)19-12-15-6-3-9-24-21(15)25-19/h3,6-9,11-13,17H,1-2,4-5,10H2,(H2,23,26)(H,24,25)
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n/an/an/an/a 1.41E+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...

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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145879
PNG
(CHEMBL3765684)
Show SMILES C[S+]([O-])c1ccc(cc1Cl)C(NC1CCCCC1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C21H24ClN3OS/c1-27(26)19-10-9-14(12-17(19)22)20(24-16-7-3-2-4-8-16)18-13-15-6-5-11-23-21(15)25-18/h5-6,9-13,16,20,24H,2-4,7-8H2,1H3,(H,23,25)
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n/an/an/an/a 6.63E+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...

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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145882
PNG
(CHEMBL3764856)
Show SMILES C[S+]([O-])c1ccc(cc1Cl)C(OC1CCCC1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C20H21ClN2O2S/c1-26(24)18-9-8-13(11-16(18)21)19(25-15-6-2-3-7-15)17-12-14-5-4-10-22-20(14)23-17/h4-5,8-12,15,19H,2-3,6-7H2,1H3,(H,22,23)
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n/an/an/an/a 1.10E+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...

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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145887
PNG
(CHEMBL3764930)
Show SMILES COc1ccc(cc1Cl)C(CC1CCCC1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C21H23ClN2O/c1-25-20-9-8-15(12-18(20)22)17(11-14-5-2-3-6-14)19-13-16-7-4-10-23-21(16)24-19/h4,7-10,12-14,17H,2-3,5-6,11H2,1H3,(H,23,24)
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n/an/an/an/a 342n/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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145877
PNG
(CHEMBL3765330)
Show SMILES CS(=O)(=O)c1ccc(cc1Cl)C(O)(CC1CCCC1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C21H23ClN2O3S/c1-28(26,27)18-9-8-16(12-17(18)22)21(25,13-14-5-2-3-6-14)19-11-15-7-4-10-23-20(15)24-19/h4,7-12,14,25H,2-3,5-6,13H2,1H3,(H,23,24)
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n/an/an/an/a 1.30E+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...

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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145883
PNG
(CHEMBL3764328)
Show SMILES OCc1ccc(cc1Cl)C(CC1CCCC1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C21H23ClN2O/c22-19-11-15(7-8-17(19)13-25)18(10-14-4-1-2-5-14)20-12-16-6-3-9-23-21(16)24-20/h3,6-9,11-12,14,18,25H,1-2,4-5,10,13H2,(H,23,24)
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n/an/an/an/a 638n/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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145898
PNG
(CHEMBL3763162)
Show SMILES C[S+]([O-])c1ccc(cc1Cl)C(CC1CCCC1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C21H23ClN2OS/c1-26(25)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/h4,7-10,12-14,17H,2-3,5-6,11H2,1H3,(H,23,24)
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n/an/an/an/a 1.15E+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...

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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145865
PNG
(CHEMBL3763337)
Show SMILES C[S+]([O-])c1ccc(cc1Cl)C(CC1CCCC1)c1[nH]c2ncccc2c1Cl
Show InChI InChI=1S/C21H22Cl2N2OS/c1-27(26)18-9-8-14(12-17(18)22)16(11-13-5-2-3-6-13)20-19(23)15-7-4-10-24-21(15)25-20/h4,7-10,12-13,16H,2-3,5-6,11H2,1H3,(H,24,25)
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n/an/an/an/a 1.26E+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...

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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145886
PNG
(CHEMBL3763349)
Show SMILES COCC(C)Oc1ccc(cc1Cl)C(CC1CCCC1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C24H29ClN2O2/c1-16(15-28-2)29-23-10-9-18(13-21(23)25)20(12-17-6-3-4-7-17)22-14-19-8-5-11-26-24(19)27-22/h5,8-11,13-14,16-17,20H,3-4,6-7,12,15H2,1-2H3,(H,26,27)
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n/an/an/an/a 608n/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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145890
PNG
(CHEMBL3763775)
Show SMILES OC(=O)c1ccc(cc1Cl)C(CC1CCCC1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C21H21ClN2O2/c22-18-11-14(7-8-16(18)21(25)26)17(10-13-4-1-2-5-13)19-12-15-6-3-9-23-20(15)24-19/h3,6-9,11-13,17H,1-2,4-5,10H2,(H,23,24)(H,25,26)
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n/an/an/an/a 2.05E+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...

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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145896
PNG
(CHEMBL3764342)
Show SMILES Brc1ccc(cc1)C(CC1CCCC1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C20H21BrN2/c21-17-9-7-15(8-10-17)18(12-14-4-1-2-5-14)19-13-16-6-3-11-22-20(16)23-19/h3,6-11,13-14,18H,1-2,4-5,12H2,(H,22,23)
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n/an/an/an/a 783n/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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145866
PNG
(CHEMBL3765780)
Show SMILES COC(=O)\C=C\c1cnc2[nH]c(cc2c1)C(=C/C1CCCC1)\c1ccc(c(Cl)c1)S(C)(=O)=O
Show InChI InChI=1S/C25H25ClN2O4S/c1-32-24(29)10-7-17-11-19-14-22(28-25(19)27-15-17)20(12-16-5-3-4-6-16)18-8-9-23(21(26)13-18)33(2,30)31/h7-16H,3-6H2,1-2H3,(H,27,28)/b10-7+,20-12-
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n/an/an/an/a 194n/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
Hexokinase-4


(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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145875
PNG
(CHEMBL3765270)
Show SMILES C[S+]([O-])c1ccc(cc1Cl)C(=C\C1CCCC1)\c1cc2cccnc2[nH]1
Show InChI InChI=1S/C21H21ClN2OS/c1-26(25)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 263n/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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145876
PNG
(CHEMBL3763295)
Show SMILES CS(=O)(=O)c1ccc(cc1Cl)C(O)(CC1CCCC1)c1cc2cc(Br)cnc2[nH]1
Show InChI InChI=1S/C21H22BrClN2O3S/c1-29(27,28)18-7-6-15(10-17(18)23)21(26,11-13-4-2-3-5-13)19-9-14-8-16(22)12-24-20(14)25-19/h6-10,12-13,26H,2-5,11H2,1H3,(H,24,25)
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n/an/an/an/a 535n/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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145881
PNG
(CHEMBL3763855)
Show SMILES C[S+]([O-])c1ccc(cc1Cl)C(OC1CCCCC1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C21H23ClN2O2S/c1-27(25)19-10-9-14(12-17(19)22)20(26-16-7-3-2-4-8-16)18-13-15-6-5-11-23-21(15)24-18/h5-6,9-13,16,20H,2-4,7-8H2,1H3,(H,23,24)
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n/an/an/an/a 3.29E+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...

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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145889
PNG
(CHEMBL3763635)
Show SMILES CC1(C)COP(=O)(OC1)c1ccc(cc1Cl)C(CC1CCCC1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C25H30ClN2O3P/c1-25(2)15-30-32(29,31-16-25)23-10-9-18(13-21(23)26)20(12-17-6-3-4-7-17)22-14-19-8-5-11-27-24(19)28-22/h5,8-11,13-14,17,20H,3-4,6-7,12,15-16H2,1-2H3,(H,27,28)
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n/an/an/an/a 1.24E+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...

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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145895
PNG
(CHEMBL3765308)
Show SMILES Clc1cc(ccc1C#N)C(CC1CCCC1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C21H20ClN3/c22-19-11-15(7-8-17(19)13-23)18(10-14-4-1-2-5-14)20-12-16-6-3-9-24-21(16)25-20/h3,6-9,11-12,14,18H,1-2,4-5,10H2,(H,24,25)
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n/an/an/an/a 756n/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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145867
PNG
(CHEMBL3764630)
Show SMILES COC(=O)\C=C\c1cnc2[nH]c(cc2c1)C(=C\C1CCCC1)\c1ccc(c(Cl)c1)S(C)(=O)=O
Show InChI InChI=1S/C25H25ClN2O4S/c1-32-24(29)10-7-17-11-19-14-22(28-25(19)27-15-17)20(12-16-5-3-4-6-16)18-8-9-23(21(26)13-18)33(2,30)31/h7-16H,3-6H2,1-2H3,(H,27,28)/b10-7+,20-12+
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n/an/an/an/a 148n/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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145888
PNG
(CHEMBL3764711)
Show SMILES CCOP(=O)(OCC)c1ccc(cc1Cl)C(CC1CCCC1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C24H30ClN2O3P/c1-3-29-31(28,30-4-2)23-12-11-18(15-21(23)25)20(14-17-8-5-6-9-17)22-16-19-10-7-13-26-24(19)27-22/h7,10-13,15-17,20H,3-6,8-9,14H2,1-2H3,(H,26,27)
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n/an/an/an/a 688n/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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145892
PNG
(CHEMBL3763854)
Show SMILES CC(=O)c1ccc(cc1Cl)C(CC1CCCC1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C22H23ClN2O/c1-14(26)18-9-8-16(12-20(18)23)19(11-15-5-2-3-6-15)21-13-17-7-4-10-24-22(17)25-21/h4,7-10,12-13,15,19H,2-3,5-6,11H2,1H3,(H,24,25)
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n/an/an/an/a 810n/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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145898
PNG
(CHEMBL3763162)
Show SMILES C[S+]([O-])c1ccc(cc1Cl)C(CC1CCCC1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C21H23ClN2OS/c1-26(25)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/h4,7-10,12-14,17H,2-3,5-6,11H2,1H3,(H,23,24)
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n/an/an/an/a 1.10E+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...

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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145899
PNG
(CHEMBL3765816)
Show SMILES CS(=O)(=O)c1ccc(cc1Cl)C(CC1CCCC1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C21H23ClN2O2S/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/h4,7-10,12-14,17H,2-3,5-6,11H2,1H3,(H,23,24)
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n/an/an/an/a 1.01E+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...

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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145880
PNG
(CHEMBL3765430)
Show SMILES C[S+]([O-])c1ccc(cc1Cl)C(NC1CCCC1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C20H22ClN3OS/c1-26(25)18-9-8-13(11-16(18)21)19(23-15-6-2-3-7-15)17-12-14-5-4-10-22-20(14)24-17/h4-5,8-12,15,19,23H,2-3,6-7H2,1H3,(H,22,24)
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n/an/an/an/a 3.83E+4n/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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145898
PNG
(CHEMBL3763162)
Show SMILES C[S+]([O-])c1ccc(cc1Cl)C(CC1CCCC1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C21H23ClN2OS/c1-26(25)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/h4,7-10,12-14,17H,2-3,5-6,11H2,1H3,(H,23,24)
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n/an/an/an/a 1.10E+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...

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
Hexokinase-4


(Homo sapiens (Human))		BDBM50145899
PNG
(CHEMBL3765816)
Show SMILES CS(=O)(=O)c1ccc(cc1Cl)C(CC1CCCC1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C21H23ClN2O2S/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/h4,7-10,12-14,17H,2-3,5-6,11H2,1H3,(H,23,24)
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n/an/an/an/a 255n/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
* indicates data uncertainty>20%