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PubMed code 19497745

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
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50296010
PNG
(2-isobutyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-...)
Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C24H22N2O2/c1-15(2)10-18-11-17(8-9-20(18)24(27)28)22-14-26-23-21(22)12-19(13-25-23)16-6-4-3-5-7-16/h3-9,11-15H,10H2,1-2H3,(H,25,26)(H,27,28)
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGK1 by fluorescence polarization assay


Bioorg Med Chem Lett 19: 4441-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.051
BindingDB Entry DOI: 10.7270/Q2WQ03VC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50296011
PNG
(2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin...)
Show SMILES OC(=O)c1ccc(cc1C1CCCC1)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C25H22N2O2/c28-25(29)20-11-10-18(12-21(20)17-8-4-5-9-17)23-15-27-24-22(23)13-19(14-26-24)16-6-2-1-3-7-16/h1-3,6-7,10-15,17H,4-5,8-9H2,(H,26,27)(H,28,29)
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGK1 by fluorescence polarization assay


Bioorg Med Chem Lett 19: 4441-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.051
BindingDB Entry DOI: 10.7270/Q2WQ03VC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50296009
PNG
(2-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)...)
Show SMILES CCc1cc(ccc1C(O)=O)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C22H18N2O2/c1-2-14-10-16(8-9-18(14)22(25)26)20-13-24-21-19(20)11-17(12-23-21)15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H,23,24)(H,25,26)
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGK1 by fluorescence polarization assay


Bioorg Med Chem Lett 19: 4441-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.051
BindingDB Entry DOI: 10.7270/Q2WQ03VC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50296015
PNG
(2-(4-(5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H19N3O2/c1-24(2,23(28)29)19-8-6-16(7-9-19)21-14-27-22-20(21)11-18(13-26-22)17-5-3-4-15(10-17)12-25/h3-11,13-14H,1-2H3,(H,26,27)(H,28,29)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGK1 by fluorescence polarization assay


Bioorg Med Chem Lett 19: 4441-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.051
BindingDB Entry DOI: 10.7270/Q2WQ03VC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50296003
PNG
(4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic ...)
Show SMILES OC(=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C20H14N2O2/c23-20(24)15-8-6-14(7-9-15)18-12-22-19-17(18)10-16(11-21-19)13-4-2-1-3-5-13/h1-12H,(H,21,22)(H,23,24)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGK1 by fluorescence polarization assay


Bioorg Med Chem Lett 19: 4441-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.051
BindingDB Entry DOI: 10.7270/Q2WQ03VC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50296014
PNG
(2-methyl-2-(4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C23H20N2O2/c1-23(2,22(26)27)18-10-8-16(9-11-18)20-14-25-21-19(20)12-17(13-24-21)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,24,25)(H,26,27)
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGK1 by fluorescence polarization assay


Bioorg Med Chem Lett 19: 4441-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.051
BindingDB Entry DOI: 10.7270/Q2WQ03VC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50296013
PNG
(2-methyl-2-(4-(5-(naphthalen-2-yl)-1H-pyrrolo[2,3-...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C27H22N2O2/c1-27(2,26(30)31)22-11-9-18(10-12-22)24-16-29-25-23(24)14-21(15-28-25)20-8-7-17-5-3-4-6-19(17)13-20/h3-16H,1-2H3,(H,28,29)(H,30,31)
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGK1 by fluorescence polarization assay


Bioorg Med Chem Lett 19: 4441-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.051
BindingDB Entry DOI: 10.7270/Q2WQ03VC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50296004
PNG
(2-(4-(5-(naphthalen-2-yl)-1H-pyrrolo[2,3-b]pyridin...)
Show SMILES OC(=O)Cc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C25H18N2O2/c28-24(29)11-16-5-7-18(8-6-16)23-15-27-25-22(23)13-21(14-26-25)20-10-9-17-3-1-2-4-19(17)12-20/h1-10,12-15H,11H2,(H,26,27)(H,28,29)
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGK1 by fluorescence polarization assay


Bioorg Med Chem Lett 19: 4441-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.051
BindingDB Entry DOI: 10.7270/Q2WQ03VC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50296012
PNG
(2-(4-(5-(naphthalen-2-yl)-1H-pyrrolo[2,3-b]pyridin...)
Show SMILES CC(C(O)=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C26H20N2O2/c1-16(26(29)30)17-6-9-19(10-7-17)24-15-28-25-23(24)13-22(14-27-25)21-11-8-18-4-2-3-5-20(18)12-21/h2-16H,1H3,(H,27,28)(H,29,30)
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n/an/a 125n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGK1 by fluorescence polarization assay


Bioorg Med Chem Lett 19: 4441-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.051
BindingDB Entry DOI: 10.7270/Q2WQ03VC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50296008
PNG
(3-(4-(1H-tetrazol-5-yl)phenyl)-5-phenyl-1H-pyrrolo...)
Show SMILES c1[nH]c2ncc(cc2c1-c1ccc(cc1)-c1nnn[nH]1)-c1ccccc1
Show InChI InChI=1S/C20H14N6/c1-2-4-13(5-3-1)16-10-17-18(12-22-20(17)21-11-16)14-6-8-15(9-7-14)19-23-25-26-24-19/h1-12H,(H,21,22)(H,23,24,25,26)
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n/an/a 160n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGK1 by fluorescence polarization assay


Bioorg Med Chem Lett 19: 4441-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.051
BindingDB Entry DOI: 10.7270/Q2WQ03VC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50296007
PNG
((4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl)...)
Show SMILES NCc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C20H17N3/c21-11-14-6-8-16(9-7-14)19-13-23-20-18(19)10-17(12-22-20)15-4-2-1-3-5-15/h1-10,12-13H,11,21H2,(H,22,23)
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n/an/a 400n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGK1 by fluorescence polarization assay


Bioorg Med Chem Lett 19: 4441-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.051
BindingDB Entry DOI: 10.7270/Q2WQ03VC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50296011
PNG
(2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin...)
Show SMILES OC(=O)c1ccc(cc1C1CCCC1)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C25H22N2O2/c28-25(29)20-11-10-18(12-21(20)17-8-4-5-9-17)23-15-27-24-22(23)13-19(14-26-24)16-6-2-1-3-7-16/h1-3,6-7,10-15,17H,4-5,8-9H2,(H,26,27)(H,28,29)
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n/an/a 580n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGK1-mediated epithelial sodium channel activity in human M-1 cells assessed as short circuit current by whole cell electrophysiologica...


Bioorg Med Chem Lett 19: 4441-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.051
BindingDB Entry DOI: 10.7270/Q2WQ03VC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50296010
PNG
(2-isobutyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-...)
Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C24H22N2O2/c1-15(2)10-18-11-17(8-9-20(18)24(27)28)22-14-26-23-21(22)12-19(13-25-23)16-6-4-3-5-7-16/h3-9,11-15H,10H2,1-2H3,(H,25,26)(H,27,28)
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n/an/a 580n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGK1-mediated epithelial sodium channel activity in human M-1 cells assessed as short circuit current by whole cell electrophysiologica...


Bioorg Med Chem Lett 19: 4441-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.051
BindingDB Entry DOI: 10.7270/Q2WQ03VC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50296009
PNG
(2-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)...)
Show SMILES CCc1cc(ccc1C(O)=O)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C22H18N2O2/c1-2-14-10-16(8-9-18(14)22(25)26)20-13-24-21-19(20)11-17(12-23-21)15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H,23,24)(H,25,26)
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n/an/a 710n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGK1-mediated epithelial sodium channel activity in human M-1 cells assessed as short circuit current by whole cell electrophysiologica...


Bioorg Med Chem Lett 19: 4441-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.051
BindingDB Entry DOI: 10.7270/Q2WQ03VC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50296013
PNG
(2-methyl-2-(4-(5-(naphthalen-2-yl)-1H-pyrrolo[2,3-...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C27H22N2O2/c1-27(2,26(30)31)22-11-9-18(10-12-22)24-16-29-25-23(24)14-21(15-28-25)20-8-7-17-5-3-4-6-19(17)13-20/h3-16H,1-2H3,(H,28,29)(H,30,31)
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n/an/a 870n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGK1-mediated epithelial sodium channel activity in human M-1 cells assessed as short circuit current by whole cell electrophysiologica...


Bioorg Med Chem Lett 19: 4441-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.051
BindingDB Entry DOI: 10.7270/Q2WQ03VC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50296004
PNG
(2-(4-(5-(naphthalen-2-yl)-1H-pyrrolo[2,3-b]pyridin...)
Show SMILES OC(=O)Cc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C25H18N2O2/c28-24(29)11-16-5-7-18(8-6-16)23-15-27-25-22(23)13-21(14-26-25)20-10-9-17-3-1-2-4-19(17)12-20/h1-10,12-15H,11H2,(H,26,27)(H,28,29)
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n/an/a 880n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGK1-mediated epithelial sodium channel activity in human M-1 cells assessed as short circuit current by whole cell electrophysiologica...


Bioorg Med Chem Lett 19: 4441-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.051
BindingDB Entry DOI: 10.7270/Q2WQ03VC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50296003
PNG
(4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic ...)
Show SMILES OC(=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C20H14N2O2/c23-20(24)15-8-6-14(7-9-15)18-12-22-19-17(18)10-16(11-21-19)13-4-2-1-3-5-13/h1-12H,(H,21,22)(H,23,24)
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n/an/a 1.30E+3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGK1-mediated epithelial sodium channel activity in human M-1 cells assessed as short circuit current by whole cell electrophysiologica...


Bioorg Med Chem Lett 19: 4441-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.051
BindingDB Entry DOI: 10.7270/Q2WQ03VC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50296014
PNG
(2-methyl-2-(4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C23H20N2O2/c1-23(2,22(26)27)18-10-8-16(9-11-18)20-14-25-21-19(20)12-17(13-24-21)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,24,25)(H,26,27)
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n/an/a 1.46E+3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGK1-mediated epithelial sodium channel activity in human M-1 cells assessed as short circuit current by whole cell electrophysiologica...


Bioorg Med Chem Lett 19: 4441-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.051
BindingDB Entry DOI: 10.7270/Q2WQ03VC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50296015
PNG
(2-(4-(5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H19N3O2/c1-24(2,23(28)29)19-8-6-16(7-9-19)21-14-27-22-20(21)11-18(13-26-22)17-5-3-4-15(10-17)12-25/h3-11,13-14H,1-2H3,(H,26,27)(H,28,29)
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGK1-mediated epithelial sodium channel activity in human M-1 cells assessed as short circuit current by whole cell electrophysiologica...


Bioorg Med Chem Lett 19: 4441-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.051
BindingDB Entry DOI: 10.7270/Q2WQ03VC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50296005
PNG
(CHEMBL564824 | methyl 4-(5-phenyl-1H-pyrrolo[2,3-b...)
Show SMILES COC(=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C21H16N2O2/c1-25-21(24)16-9-7-15(8-10-16)19-13-23-20-18(19)11-17(12-22-20)14-5-3-2-4-6-14/h2-13H,1H3,(H,22,23)
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n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGK1 by fluorescence polarization assay


Bioorg Med Chem Lett 19: 4441-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.051
BindingDB Entry DOI: 10.7270/Q2WQ03VC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50296006
PNG
(1-(4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pheny...)
Show SMILES CC(=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C21H16N2O/c1-14(24)15-7-9-17(10-8-15)20-13-23-21-19(20)11-18(12-22-21)16-5-3-2-4-6-16/h2-13H,1H3,(H,22,23)
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n/an/a 5.00E+3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGK1 by fluorescence polarization assay


Bioorg Med Chem Lett 19: 4441-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.051
BindingDB Entry DOI: 10.7270/Q2WQ03VC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%