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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50043663   
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 type IV


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



Pfizer Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX
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 |r|
Show InChI InChI=1S/C20H24N4O5S/c25-19(23-17-8-5-14(10-21-17)20(26)27)16(9-13-3-1-2-4-13)24-11-18(22-12-24)30(28,29)15-6-7-15/h5,8,10-13,15-16H,1-4,6-7,9H2,(H,26,27)(H,21,23,25)/t16-/m0/s1
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n/an/an/an/a 2.60E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50444411
PNG
(CHEMBL3091585)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCOCC2)n2cnc(c2)S(=O)(=O)C2CCC2)nc1 |r|
Show InChI InChI=1S/C21H26N4O6S/c26-20(24-18-5-4-15(11-22-18)21(27)28)17(10-14-6-8-31-9-7-14)25-12-19(23-13-25)32(29,30)16-2-1-3-16/h4-5,11-14,16-17H,1-3,6-10H2,(H,27,28)(H,22,24,26)/t17-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase by G6PDH/NADP coupled assay


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


Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50444412
PNG
(CHEMBL3091584)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCOCC2)n2cnc(c2)S(=O)(=O)C2CC2)nc1 |r|
Show InChI InChI=1S/C20H24N4O6S/c25-19(23-17-4-1-14(10-21-17)20(26)27)16(9-13-5-7-30-8-6-13)24-11-18(22-12-24)31(28,29)15-2-3-15/h1,4,10-13,15-16H,2-3,5-9H2,(H,26,27)(H,21,23,25)/t16-/m0/s1
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n/an/an/an/a 1.35E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase by G6PDH/NADP coupled assay


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


Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50444414
PNG
(CHEMBL3091582)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCCC2)n2cnc(c2)S(=O)(=O)C2CC2)nc1 |r|
Show InChI InChI=1S/C21H26N4O5S/c26-20(24-18-9-6-15(11-22-18)21(27)28)17(10-14-4-2-1-3-5-14)25-12-19(23-13-25)31(29,30)16-7-8-16/h6,9,11-14,16-17H,1-5,7-8,10H2,(H,27,28)(H,22,24,26)/t17-/m0/s1
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n/an/an/an/a 113n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase by G6PDH/NADP coupled assay


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


Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50444409
PNG
(CHEMBL3091581)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)S(=O)(=O)C2CCC2)nc1 |r|
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 201n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase by G6PDH/NADP coupled assay


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


Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50444410
PNG
(CHEMBL3091580)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)S(=O)(=O)C2CC2)nc1 |r|
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 137n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase by G6PDH/NADP coupled assay


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


Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX
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 |r|
Show InChI InChI=1S/C21H26N4O5S/c26-20(24-18-9-8-15(11-22-18)21(27)28)17(10-14-4-1-2-5-14)25-12-19(23-13-25)31(29,30)16-6-3-7-16/h8-9,11-14,16-17H,1-7,10H2,(H,27,28)(H,22,24,26)/t17-/m0/s1
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n/an/an/an/a 1.74E+5n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50444413
PNG
(CHEMBL3091583)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCCC2)n2cnc(c2)S(=O)(=O)C2CCC2)nc1 |r|
Show InChI InChI=1S/C22H28N4O5S/c27-21(25-19-10-9-16(12-23-19)22(28)29)18(11-15-5-2-1-3-6-15)26-13-20(24-14-26)32(30,31)17-7-4-8-17/h9-10,12-15,17-18H,1-8,11H2,(H,28,29)(H,23,25,27)/t18-/m0/s1
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n/an/an/an/a 227n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase by G6PDH/NADP coupled assay


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


Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX
More data for this
Ligand-Target Pair