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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for entry = 7512   
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))
BDBM50443628
PNG
(CHEMBL3092468 | US9174993, 35 | US9221828, 35)
Show SMILES Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
Show InChI InChI=1S/C17H12ClFN6O2S/c18-10-3-6-12(19)14(7-10)28(26,27)25-11-4-1-9(2-5-11)13-8-21-15-16(20)23-24-17(15)22-13/h1-8,25H,(H3,20,22,23,24)
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US Patent
n/an/a 1n/an/an/an/a7.424



SANOFI

US Patent


Assay Description
The enzyme reaction was carried out in a buffer containing 25 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 2 mM MnCl2, 2 mM DTT, and 0.03% bovine serum albumi...


US Patent US9221828 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49DW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043783
PNG
(CHEMBL3356053 | US9174993, 46 | US9221828, 46)
Show SMILES COc1ccc(C#N)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1cnc2c(N)n[nH]c2n1
Show InChI InChI=1S/C19H15N7O3S/c1-29-14-7-4-12(9-20)16(8-14)30(27,28)26-13-5-2-11(3-6-13)15-10-22-17-18(21)24-25-19(17)23-15/h2-8,10,26H,1H3,(H3,21,23,24,25)
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n/an/a 2n/an/an/an/a7.424



SANOFI

US Patent


Assay Description
The enzyme reaction was carried out in a buffer containing 25 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 2 mM MnCl2, 2 mM DTT, and 0.03% bovine serum albumi...


US Patent US9221828 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49DW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50443633
PNG
(CHEMBL3092463 | US9174993, 7 | US9221828, 7)
Show SMILES Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(F)c1
Show InChI InChI=1S/C17H11Cl2FN6O2S/c18-9-2-3-10(19)14(6-9)29(27,28)26-12-4-1-8(5-11(12)20)13-7-22-15-16(21)24-25-17(15)23-13/h1-7,26H,(H3,21,23,24,25)
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n/an/a 2n/an/an/an/a7.424



SANOFI

US Patent


Assay Description
The enzyme reaction was carried out in a buffer containing 25 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 2 mM MnCl2, 2 mM DTT, and 0.03% bovine serum albumi...


US Patent US9221828 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49DW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043873
PNG
(CHEMBL3356059 | US9174993, 11 | US9221828, 11)
Show SMILES Cc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C18H13Cl2N5O2S/c1-10-17-18(24-23-10)22-15(9-21-17)11-2-5-13(6-3-11)25-28(26,27)16-8-12(19)4-7-14(16)20/h2-9,25H,1H3,(H,22,23,24)
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n/an/a 2n/an/an/an/a7.424



SANOFI

US Patent


Assay Description
The enzyme reaction was carried out in a buffer containing 25 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 2 mM MnCl2, 2 mM DTT, and 0.03% bovine serum albumi...


US Patent US9221828 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49DW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50443630
PNG
(CHEMBL3092466 | US9174993, 15 | US9221828, 15)
Show SMILES Cc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(C)ccc2F)cc1
Show InChI InChI=1S/C19H16FN5O2S/c1-11-3-8-15(20)17(9-11)28(26,27)25-14-6-4-13(5-7-14)16-10-21-18-12(2)23-24-19(18)22-16/h3-10,25H,1-2H3,(H,22,23,24)
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n/an/a 2n/an/an/an/a7.424



SANOFI

US Patent


Assay Description
The enzyme reaction was carried out in a buffer containing 25 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 2 mM MnCl2, 2 mM DTT, and 0.03% bovine serum albumi...


US Patent US9221828 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49DW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50443634
PNG
(CHEMBL3092462 | US9174993, 6 | US9221828, 6)
Show SMILES Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)c(F)c1
Show InChI InChI=1S/C17H11ClF2N6O2S/c18-9-2-3-10(19)14(6-9)29(27,28)26-12-4-1-8(5-11(12)20)13-7-22-15-16(21)24-25-17(15)23-13/h1-7,26H,(H3,21,23,24,25)
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n/an/a 2n/an/an/an/a7.424



SANOFI

US Patent


Assay Description
The enzyme reaction was carried out in a buffer containing 25 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 2 mM MnCl2, 2 mM DTT, and 0.03% bovine serum albumi...


US Patent US9221828 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49DW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50443629
PNG
(CHEMBL3092467 | US9174993, 16 | US9221828, 16)
Show SMILES COc1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1cnc2c(C)n[nH]c2n1
Show InChI InChI=1S/C19H16ClN5O3S/c1-11-18-19(24-23-11)22-16(10-21-18)12-3-5-13(6-4-12)25-29(26,27)17-9-14(28-2)7-8-15(17)20/h3-10,25H,1-2H3,(H,22,23,24)
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n/an/a 2n/an/an/an/a7.424



SANOFI

US Patent


Assay Description
The enzyme reaction was carried out in a buffer containing 25 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 2 mM MnCl2, 2 mM DTT, and 0.03% bovine serum albumi...


US Patent US9221828 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49DW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043784
PNG
(CHEMBL3356054 | US9174993, 9 | US9221828, 9)
Show SMILES Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(F)c1
Show InChI InChI=1S/C17H11Cl2FN6O2S/c18-9-2-1-3-13(14(9)19)29(27,28)26-11-5-4-8(6-10(11)20)12-7-22-15-16(21)24-25-17(15)23-12/h1-7,26H,(H3,21,23,24,25)
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US Patent
n/an/a 3n/an/an/an/a7.424



SANOFI

US Patent


Assay Description
The enzyme reaction was carried out in a buffer containing 25 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 2 mM MnCl2, 2 mM DTT, and 0.03% bovine serum albumi...


US Patent US9221828 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49DW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50443631
PNG
(CHEMBL3092465 | US9174993, 14 | US9221828, 14)
Show SMILES Cc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(C)ccc2C#N)cc1
Show InChI InChI=1S/C20H16N6O2S/c1-12-3-4-15(10-21)18(9-12)29(27,28)26-16-7-5-14(6-8-16)17-11-22-19-13(2)24-25-20(19)23-17/h3-9,11,26H,1-2H3,(H,23,24,25)
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n/an/a 3n/an/an/an/a7.424



SANOFI

US Patent


Assay Description
The enzyme reaction was carried out in a buffer containing 25 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 2 mM MnCl2, 2 mM DTT, and 0.03% bovine serum albumi...


US Patent US9221828 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49DW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043874
PNG
(CHEMBL3356060 | US9174993, 13 | US9221828, 13)
Show SMILES Cc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2C#N)cc1
Show InChI InChI=1S/C19H13ClN6O2S/c1-11-18-19(25-24-11)23-16(10-22-18)12-3-6-15(7-4-12)26-29(27,28)17-8-14(20)5-2-13(17)9-21/h2-8,10,26H,1H3,(H,23,24,25)
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n/an/a 3n/an/an/an/a7.424



SANOFI

US Patent


Assay Description
The enzyme reaction was carried out in a buffer containing 25 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 2 mM MnCl2, 2 mM DTT, and 0.03% bovine serum albumi...


US Patent US9221828 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49DW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50443636
PNG
(CHEMBL3092460 | US9174993, 1 | US9221828, 1)
Show SMILES Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C17H12Cl2N6O2S/c18-11-2-1-3-13(14(11)19)28(26,27)25-10-6-4-9(5-7-10)12-8-21-15-16(20)23-24-17(15)22-12/h1-8,25H,(H3,20,22,23,24)
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n/an/a 3n/an/an/an/a7.424



SANOFI

US Patent


Assay Description
The enzyme reaction was carried out in a buffer containing 25 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 2 mM MnCl2, 2 mM DTT, and 0.03% bovine serum albumi...


US Patent US9221828 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49DW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50443632
PNG
(CHEMBL3092464 | US9174993, 12 | US9221828, 12)
Show SMILES Cc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
Show InChI InChI=1S/C18H13ClFN5O2S/c1-10-17-18(24-23-10)22-15(9-21-17)11-2-5-13(6-3-11)25-28(26,27)16-8-12(19)4-7-14(16)20/h2-9,25H,1H3,(H,22,23,24)
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US Patent
n/an/a 4n/an/an/an/a7.424



SANOFI

US Patent


Assay Description
The enzyme reaction was carried out in a buffer containing 25 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 2 mM MnCl2, 2 mM DTT, and 0.03% bovine serum albumi...


US Patent US9221828 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49DW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50443635
PNG
(CHEMBL3092461 | US9174993, 5 | US9221828, 5)
Show SMILES Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C17H12Cl2N6O2S/c18-10-3-6-12(19)14(7-10)28(26,27)25-11-4-1-9(2-5-11)13-8-21-15-16(20)23-24-17(15)22-13/h1-8,25H,(H3,20,22,23,24)
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n/an/a 5n/an/an/an/a7.424



SANOFI

US Patent


Assay Description
The enzyme reaction was carried out in a buffer containing 25 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 2 mM MnCl2, 2 mM DTT, and 0.03% bovine serum albumi...


US Patent US9221828 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49DW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043872
PNG
(CHEMBL3356058 | US9174993, 10 | US9221828, 10)
Show SMILES Cc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C18H13Cl2N5O2S/c1-10-17-18(24-23-10)22-14(9-21-17)11-5-7-12(8-6-11)25-28(26,27)15-4-2-3-13(19)16(15)20/h2-9,25H,1H3,(H,22,23,24)
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n/an/a 13n/an/an/an/a7.424



SANOFI

US Patent


Assay Description
The enzyme reaction was carried out in a buffer containing 25 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 2 mM MnCl2, 2 mM DTT, and 0.03% bovine serum albumi...


US Patent US9221828 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49DW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM189807
PNG
(US9174993, 45 | US9221828, 45)
Show SMILES Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(ccc2F)C#N)cc1
Show InChI InChI=1S/C18H12FN7O2S/c19-13-6-1-10(8-20)7-15(13)29(27,28)26-12-4-2-11(3-5-12)14-9-22-16-17(21)24-25-18(16)23-14/h1-7,9,26H,(H3,21,23,24,25)
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n/an/a 47n/an/an/an/a7.424



SANOFI

US Patent


Assay Description
The enzyme reaction was carried out in a buffer containing 25 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 2 mM MnCl2, 2 mM DTT, and 0.03% bovine serum albumi...


US Patent US9221828 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49DW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043899
PNG
(CHEMBL3356040 | US9174993, 8 | US9221828, 8)
Show SMILES NNc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(cc1)-c1cnc2c(N)n[nH]c2n1
Show InChI InChI=1S/C17H15ClN8O2S/c18-10-3-6-12(23-20)14(7-10)29(27,28)26-11-4-1-9(2-5-11)13-8-21-15-16(19)24-25-17(15)22-13/h1-8,23,26H,20H2,(H3,19,22,24,25)
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US Patent
n/an/a 196n/an/an/an/a7.424



SANOFI

US Patent


Assay Description
The enzyme reaction was carried out in a buffer containing 25 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 2 mM MnCl2, 2 mM DTT, and 0.03% bovine serum albumi...


US Patent US9221828 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49DW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM189805
PNG
(US9174993, 42 | US9221828, 42)
Show SMILES Fc1cc(F)c(cc1Cl)S(=O)(=O)Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)c(F)cc2F)cc1
Show InChI InChI=1S/C23H12Cl2F4N6O4S2/c24-12-5-19(16(28)7-14(12)26)40(36,37)34-11-3-1-10(2-4-11)18-9-30-21-22(31-18)32-33-23(21)35-41(38,39)20-6-13(25)15(27)8-17(20)29/h1-9,34H,(H2,31,32,33,35)
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n/an/a 413n/an/an/an/a7.424



SANOFI

US Patent


Assay Description
The enzyme reaction was carried out in a buffer containing 25 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 2 mM MnCl2, 2 mM DTT, and 0.03% bovine serum albumi...


US Patent US9221828 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49DW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043871
PNG
(CHEMBL3356057 | US9174993, 4 | US9221828, 4)
Show SMILES Fc1cc(ccc1NS(=O)(=O)c1cccc(Cl)c1Cl)-c1cnc2cn[nH]c2n1
Show InChI InChI=1S/C17H10Cl2FN5O2S/c18-10-2-1-3-15(16(10)19)28(26,27)25-12-5-4-9(6-11(12)20)13-7-21-14-8-22-24-17(14)23-13/h1-8,25H,(H,22,23,24)
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n/an/a 419n/an/an/an/a7.424



SANOFI

US Patent


Assay Description
The enzyme reaction was carried out in a buffer containing 25 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 2 mM MnCl2, 2 mM DTT, and 0.03% bovine serum albumi...


US Patent US9221828 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49DW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043786
PNG
(CHEMBL3356055 | US9174993, 2 | US9221828, 2)
Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1cnc2cn[nH]c2n1
Show InChI InChI=1S/C17H11Cl2N5O2S/c18-11-3-6-13(19)16(7-11)27(25,26)24-12-4-1-10(2-5-12)14-8-20-15-9-21-23-17(15)22-14/h1-9,24H,(H,21,22,23)
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US Patent
n/an/a 439n/an/an/an/a7.424



SANOFI

US Patent


Assay Description
The enzyme reaction was carried out in a buffer containing 25 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 2 mM MnCl2, 2 mM DTT, and 0.03% bovine serum albumi...


US Patent US9221828 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49DW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043787
PNG
(CHEMBL3356056 | US9174993, 3 | US9221828, 3)
Show SMILES Fc1cc(ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl)-c1cnc2cn[nH]c2n1
Show InChI InChI=1S/C17H10Cl2FN5O2S/c18-10-2-3-11(19)16(6-10)28(26,27)25-13-4-1-9(5-12(13)20)14-7-21-15-8-22-24-17(15)23-14/h1-8,25H,(H,22,23,24)
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US Patent
n/an/a 496n/an/an/an/a7.424



SANOFI

US Patent


Assay Description
The enzyme reaction was carried out in a buffer containing 25 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 2 mM MnCl2, 2 mM DTT, and 0.03% bovine serum albumi...


US Patent US9221828 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49DW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM198935
PNG
(US9221828, 43)
Show SMILES Cc1nn(C)cc1S(=O)(=O)Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2c(C)nn(C)c2Cl)cc1
Show InChI InChI=1S/C21H21ClN10O4S2/c1-11-16(10-31(3)27-11)37(33,34)30-21-17-20(25-26-21)24-15(9-23-17)13-5-7-14(8-6-13)29-38(35,36)18-12(2)28-32(4)19(18)22/h5-10,29H,1-4H3,(H2,24,25,26,30)
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US Patent
n/an/a 1.05E+3n/an/an/an/a7.424



SANOFI

US Patent


Assay Description
The enzyme reaction was carried out in a buffer containing 25 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 2 mM MnCl2, 2 mM DTT, and 0.03% bovine serum albumi...


US Patent US9221828 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49DW
More data for this
Ligand-Target Pair