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PubMed code 23089526

Compile data set for download or QSAR
Found 21 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
Voltage-gated potassium channel


(Homo sapiens (human))
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/a>3.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


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


Article DOI: 10.1016/j.bmcl.2012.09.082
BindingDB Entry DOI: 10.7270/Q2GM88H7
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50401855
PNG
(CHEMBL2204649)
Show SMILES Cc1cnc(NC(=O)c2cc(Oc3ccc(cc3)S(C)(=O)=O)c3cn(C)nc3c2)cn1
Show InChI InChI=1S/C21H19N5O4S/c1-13-10-23-20(11-22-13)24-21(27)14-8-18-17(12-26(2)25-18)19(9-14)30-15-4-6-16(7-5-15)31(3,28)29/h4-12H,1-3H3,(H,23,24,27)
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n/an/an/an/a 1.93E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2012.09.082
BindingDB Entry DOI: 10.7270/Q2GM88H7
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50401839
PNG
(CHEMBL2204646)
Show SMILES CN(C)C(=O)c1cnc(Oc2cc(cc3nn(C)cc23)C(=O)Nc2cnc(C)cn2)cn1
Show InChI InChI=1S/C21H20N8O3/c1-12-7-24-18(9-22-12)26-20(30)13-5-15-14(11-29(4)27-15)17(6-13)32-19-10-23-16(8-25-19)21(31)28(2)3/h5-11H,1-4H3,(H,24,26,30)
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n/an/an/an/a 990n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2012.09.082
BindingDB Entry DOI: 10.7270/Q2GM88H7
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50401842
PNG
(CHEMBL2204653)
Show SMILES CNS(=O)(=O)c1ccc(Oc2cc(cc3nn(C)cc23)C(=O)Nc2cnc(C)cn2)cc1
Show InChI InChI=1S/C21H20N6O4S/c1-13-10-24-20(11-23-13)25-21(28)14-8-18-17(12-27(3)26-18)19(9-14)31-15-4-6-16(7-5-15)32(29,30)22-2/h4-12,22H,1-3H3,(H,24,25,28)
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n/an/an/an/a 880n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2012.09.082
BindingDB Entry DOI: 10.7270/Q2GM88H7
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50401843
PNG
(CHEMBL2204658)
Show SMILES CCn1cc2c(Oc3ccc(cc3)S(C)(=O)=O)cc(cc2n1)C(=O)Nc1cnc(C)cn1
Show InChI InChI=1S/C22H21N5O4S/c1-4-27-13-18-19(26-27)9-15(22(28)25-21-12-23-14(2)11-24-21)10-20(18)31-16-5-7-17(8-6-16)32(3,29)30/h5-13H,4H2,1-3H3,(H,24,25,28)
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n/an/an/an/a 770n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2012.09.082
BindingDB Entry DOI: 10.7270/Q2GM88H7
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50401845
PNG
(CHEMBL2204647)
Show SMILES CN(C)C(=O)c1cnc(Oc2cc(cn3nc(C)cc23)C(=O)Nc2cnc(C)cn2)cn1
Show InChI InChI=1S/C21H20N8O3/c1-12-5-16-17(32-19-10-23-15(8-25-19)21(31)28(3)4)6-14(11-29(16)27-12)20(30)26-18-9-22-13(2)7-24-18/h5-11H,1-4H3,(H,24,26,30)
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n/an/an/an/a 620n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2012.09.082
BindingDB Entry DOI: 10.7270/Q2GM88H7
More data for this
Ligand-Target Pair
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)


Article DOI: 10.1016/j.bmcl.2012.09.082
BindingDB Entry DOI: 10.7270/Q2GM88H7
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50401852
PNG
(CHEMBL2204662)
Show SMILES CCn1cc2c(Oc3cnc(C(=O)N(C)C)c(F)c3)cc(cc2n1)C(=O)Nc1cnc(C)cn1
Show InChI InChI=1S/C23H22FN7O3/c1-5-31-12-16-18(29-31)6-14(22(32)28-20-11-25-13(2)9-26-20)7-19(16)34-15-8-17(24)21(27-10-15)23(33)30(3)4/h6-12H,5H2,1-4H3,(H,26,28,32)
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n/an/an/an/a 230n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2012.09.082
BindingDB Entry DOI: 10.7270/Q2GM88H7
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50401854
PNG
(CHEMBL2204661)
Show SMILES Cc1cnc(NC(=O)c2cc(Oc3ccc(cc3)S(C)(=O)=O)c3cn(nc3c2)C2CC2)cn1
Show InChI InChI=1S/C23H21N5O4S/c1-14-11-25-22(12-24-14)26-23(29)15-9-20-19(13-28(27-20)16-3-4-16)21(10-15)32-17-5-7-18(8-6-17)33(2,30)31/h5-13,16H,3-4H2,1-2H3,(H,25,26,29)
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n/an/an/an/a 2.03E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2012.09.082
BindingDB Entry DOI: 10.7270/Q2GM88H7
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50401844
PNG
(CHEMBL2204648)
Show SMILES CN(C)C(=O)c1ccc(Oc2cc(cc3nn(C)cc23)C(=O)Nc2cnc(C)cn2)cc1
Show InChI InChI=1S/C23H22N6O3/c1-14-11-25-21(12-24-14)26-22(30)16-9-19-18(13-29(4)27-19)20(10-16)32-17-7-5-15(6-8-17)23(31)28(2)3/h5-13H,1-4H3,(H,25,26,30)
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n/an/an/an/a 710n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2012.09.082
BindingDB Entry DOI: 10.7270/Q2GM88H7
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50401848
PNG
(CHEMBL2204655)
Show SMILES CN(C)C(=O)c1ncc(Oc2cc(cc3nn(C)cc23)C(=O)Nc2cnc(C)cn2)cc1F
Show InChI InChI=1S/C22H20FN7O3/c1-12-8-25-19(10-24-12)27-21(31)13-5-17-15(11-30(4)28-17)18(6-13)33-14-7-16(23)20(26-9-14)22(32)29(2)3/h5-11H,1-4H3,(H,25,27,31)
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n/an/an/an/a 400n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2012.09.082
BindingDB Entry DOI: 10.7270/Q2GM88H7
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50394683
PNG
(CHEMBL2165616)
Show SMILES CN(C)C(=O)c1cnc(Oc2cc(cc3oc(C)cc23)C(=O)Nc2cnc(C)cn2)cn1
Show InChI InChI=1S/C22H20N6O4/c1-12-8-25-19(10-23-12)27-21(29)14-6-17-15(5-13(2)31-17)18(7-14)32-20-11-24-16(9-26-20)22(30)28(3)4/h5-11H,1-4H3,(H,25,27,29)
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n/an/an/an/a 220n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2012.09.082
BindingDB Entry DOI: 10.7270/Q2GM88H7
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50401851
PNG
(CHEMBL2204659)
Show SMILES CCCn1cc2c(Oc3ccc(cc3)S(C)(=O)=O)cc(cc2n1)C(=O)Nc1cnc(C)cn1
Show InChI InChI=1S/C23H23N5O4S/c1-4-9-28-14-19-20(27-28)10-16(23(29)26-22-13-24-15(2)12-25-22)11-21(19)32-17-5-7-18(8-6-17)33(3,30)31/h5-8,10-14H,4,9H2,1-3H3,(H,25,26,29)
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n/an/an/an/a 310n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2012.09.082
BindingDB Entry DOI: 10.7270/Q2GM88H7
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
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 120n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2012.09.082
BindingDB Entry DOI: 10.7270/Q2GM88H7
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50401840
PNG
(CHEMBL2204650)
Show SMILES CCS(=O)(=O)c1ccc(Oc2cc(cc3nn(C)cc23)C(=O)Nc2cnc(C)cn2)cc1
Show InChI InChI=1S/C22H21N5O4S/c1-4-32(29,30)17-7-5-16(6-8-17)31-20-10-15(9-19-18(20)13-27(3)26-19)22(28)25-21-12-23-14(2)11-24-21/h5-13H,4H2,1-3H3,(H,24,25,28)
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n/an/an/an/a 980n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2012.09.082
BindingDB Entry DOI: 10.7270/Q2GM88H7
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50401841
PNG
(CHEMBL2204657)
Show SMILES CN(C)C(=O)c1ncc(Oc2cc(cc3nn(C)cc23)C(=O)Nc2cnc(C)cn2)cn1
Show InChI InChI=1S/C21H20N8O3/c1-12-7-23-18(10-22-12)26-20(30)13-5-16-15(11-29(4)27-16)17(6-13)32-14-8-24-19(25-9-14)21(31)28(2)3/h5-11H,1-4H3,(H,23,26,30)
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n/an/an/an/a 910n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2012.09.082
BindingDB Entry DOI: 10.7270/Q2GM88H7
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50401847
PNG
(CHEMBL2204652)
Show SMILES CN(C)S(=O)(=O)c1ccc(Oc2cc(cc3nn(C)cc23)C(=O)Nc2cnc(C)cn2)cc1
Show InChI InChI=1S/C22H22N6O4S/c1-14-11-24-21(12-23-14)25-22(29)15-9-19-18(13-28(4)26-19)20(10-15)32-16-5-7-17(8-6-16)33(30,31)27(2)3/h5-13H,1-4H3,(H,24,25,29)
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n/an/an/an/a 440n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2012.09.082
BindingDB Entry DOI: 10.7270/Q2GM88H7
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50401850
PNG
(CHEMBL2204656)
Show SMILES Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N4CCC4)c(F)c3)c3cn(C)nc3c2)cn1
Show InChI InChI=1S/C23H20FN7O3/c1-13-9-26-20(11-25-13)28-22(32)14-6-18-16(12-30(2)29-18)19(7-14)34-15-8-17(24)21(27-10-15)23(33)31-4-3-5-31/h6-12H,3-5H2,1-2H3,(H,26,28,32)
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n/an/an/an/a 340n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2012.09.082
BindingDB Entry DOI: 10.7270/Q2GM88H7
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50401853
PNG
(CHEMBL2204654)
Show SMILES Cc1cnc(NC(=O)c2cc(Oc3ccc(cc3)S(N)(=O)=O)c3cn(C)nc3c2)cn1
Show InChI InChI=1S/C20H18N6O4S/c1-12-9-23-19(10-22-12)24-20(27)13-7-17-16(11-26(2)25-17)18(8-13)30-14-3-5-15(6-4-14)31(21,28)29/h3-11H,1-2H3,(H2,21,28,29)(H,23,24,27)
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n/an/an/an/a 2.32E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2012.09.082
BindingDB Entry DOI: 10.7270/Q2GM88H7
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50401846
PNG
(CHEMBL2204651)
Show SMILES Cc1cnc(NC(=O)c2cc(Oc3ccc(cc3)S(=O)(=O)C3CC3)c3cn(C)nc3c2)cn1
Show InChI InChI=1S/C23H21N5O4S/c1-14-11-25-22(12-24-14)26-23(29)15-9-20-19(13-28(2)27-20)21(10-15)32-16-3-5-17(6-4-16)33(30,31)18-7-8-18/h3-6,9-13,18H,7-8H2,1-2H3,(H,25,26,29)
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n/an/an/an/a 510n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2012.09.082
BindingDB Entry DOI: 10.7270/Q2GM88H7
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50401838
PNG
(CHEMBL2204660)
Show SMILES Cc1cnc(NC(=O)c2cc(Oc3ccc(cc3)S(C)(=O)=O)c3cn(CCO)nc3c2)cn1
Show InChI InChI=1S/C22H21N5O5S/c1-14-11-24-21(12-23-14)25-22(29)15-9-19-18(13-27(26-19)7-8-28)20(10-15)32-16-3-5-17(6-4-16)33(2,30)31/h3-6,9-13,28H,7-8H2,1-2H3,(H,24,25,29)
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n/an/an/an/a 1.54E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2012.09.082
BindingDB Entry DOI: 10.7270/Q2GM88H7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%