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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50045045   
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))
BDBM50043018
PNG
(CHEMBL3355028 | US9718825, Example 63)
Show SMILES NCCCOc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C20H18Cl2N6O3S/c21-13-4-7-16(22)17(10-13)32(29,30)28-14-5-2-12(3-6-14)18-25-19-15(11-24-27-19)20(26-18)31-9-1-8-23/h2-7,10-11,28H,1,8-9,23H2,(H,24,25,26,27)
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n/an/a<1.20n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of SGK1 (unknown origin) assessed as substrate phosphorylation


ACS Med Chem Lett 6: 19-20 (2015)


Article DOI: 10.1021/ml500480n
BindingDB Entry DOI: 10.7270/Q2PZ5BFB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043015
PNG
(CHEMBL3355025 | US9718825, Example 1)
Show SMILES Cc1n[nH]c2nc(ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C18H13Cl2N5O2S/c1-10-14-9-21-17(22-18(14)24-23-10)11-2-5-13(6-3-11)25-28(26,27)16-8-12(19)4-7-15(16)20/h2-9,25H,1H3,(H,21,22,23,24)
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n/an/a<1.20n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of SGK1 (unknown origin) assessed as substrate phosphorylation


ACS Med Chem Lett 6: 19-20 (2015)


Article DOI: 10.1021/ml500480n
BindingDB Entry DOI: 10.7270/Q2PZ5BFB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043016
PNG
(CHEMBL3355026 | US9718825, Example 3)
Show SMILES OC1CCC(CC1)Oc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 |(44.14,-2.28,;42.6,-2.28,;41.82,-3.61,;40.29,-3.61,;39.52,-2.26,;40.28,-.93,;41.83,-.94,;37.97,-2.27,;37.2,-3.6,;35.66,-3.61,;34.89,-4.94,;35.66,-6.28,;37.2,-6.27,;38.22,-7.42,;39.63,-6.81,;39.48,-5.28,;37.98,-4.95,;33.36,-4.93,;32.58,-6.27,;31.04,-6.26,;30.28,-4.92,;28.73,-4.91,;27.96,-6.24,;29.29,-7.02,;27.96,-7.78,;26.42,-6.25,;25.65,-4.92,;24.1,-4.92,;23.33,-3.59,;23.34,-6.25,;24.11,-7.58,;25.65,-7.58,;26.42,-8.92,;31.04,-3.59,;32.58,-3.59,)|
Show InChI InChI=1S/C23H21ClFN5O4S/c24-14-3-10-19(25)20(11-14)35(32,33)30-15-4-1-13(2-5-15)21-27-22-18(12-26-29-22)23(28-21)34-17-8-6-16(31)7-9-17/h1-5,10-12,16-17,30-31H,6-9H2,(H,26,27,28,29)
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n/an/a<1.20n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of SGK1 (unknown origin) assessed as substrate phosphorylation


ACS Med Chem Lett 6: 19-20 (2015)


Article DOI: 10.1021/ml500480n
BindingDB Entry DOI: 10.7270/Q2PZ5BFB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043021
PNG
(CHEMBL3355031 | US9718825, Example 140)
Show SMILES COc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(C)ccc2F)cc1
Show InChI InChI=1S/C19H16FN5O3S/c1-11-3-8-15(20)16(9-11)29(26,27)25-13-6-4-12(5-7-13)17-22-18-14(10-21-24-18)19(23-17)28-2/h3-10,25H,1-2H3,(H,21,22,23,24)
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n/an/a 1.5n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of SGK1 (unknown origin) assessed as substrate phosphorylation


ACS Med Chem Lett 6: 19-20 (2015)


Article DOI: 10.1021/ml500480n
BindingDB Entry DOI: 10.7270/Q2PZ5BFB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043025
PNG
(CHEMBL3355035 | US9718825, Example 520)
Show SMILES COc1ccc(C#N)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc(C2CC2)c2c(N)n[nH]c2n1
Show InChI InChI=1S/C22H19N7O3S/c1-32-16-9-6-14(11-23)17(10-16)33(30,31)29-15-7-4-13(5-8-15)21-25-19(12-2-3-12)18-20(24)27-28-22(18)26-21/h4-10,12,29H,2-3H2,1H3,(H3,24,25,26,27,28)
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Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of SGK1 (unknown origin) assessed as substrate phosphorylation


ACS Med Chem Lett 6: 19-20 (2015)


Article DOI: 10.1021/ml500480n
BindingDB Entry DOI: 10.7270/Q2PZ5BFB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043019
PNG
(CHEMBL3355029)
Show SMILES O[C@H]1CC[C@@H](CC1)Oc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 |r,wU:4.7,wD:1.0,(43,-11.27,;41.45,-11.27,;40.68,-9.93,;39.13,-9.93,;38.37,-11.26,;39.14,-12.6,;40.68,-12.61,;36.83,-11.26,;36.06,-12.6,;34.52,-12.6,;33.75,-13.93,;34.52,-15.27,;36.05,-15.27,;37.07,-16.42,;38.48,-15.8,;38.34,-14.27,;36.83,-13.94,;32.21,-13.93,;31.43,-15.26,;29.89,-15.26,;29.13,-13.92,;27.59,-13.91,;26.81,-15.24,;28.15,-16.01,;26.81,-16.78,;25.27,-15.25,;24.5,-13.91,;22.96,-13.92,;22.18,-12.58,;22.2,-15.25,;22.96,-16.57,;24.5,-16.58,;25.27,-17.91,;29.9,-12.59,;31.44,-12.59,)|
Show InChI InChI=1/C23H21ClFN5O4S/c24-14-3-10-19(25)20(11-14)35(32,33)30-15-4-1-13(2-5-15)21-27-22-18(12-26-29-22)23(28-21)34-17-8-6-16(31)7-9-17/h1-5,10-12,16-17,30-31H,6-9H2,(H,26,27,28,29)/t16-,17-
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Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of SGK1 (unknown origin) assessed as substrate phosphorylation


ACS Med Chem Lett 6: 19-20 (2015)


Article DOI: 10.1021/ml500480n
BindingDB Entry DOI: 10.7270/Q2PZ5BFB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043017
PNG
(CHEMBL3355027)
Show SMILES OC1CCC(CC1)Oc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2C#N)cc1 |(68.02,-2.5,;66.48,-2.49,;65.7,-3.83,;64.16,-3.83,;63.39,-2.48,;64.16,-1.15,;65.7,-1.16,;61.85,-2.48,;61.08,-3.82,;59.54,-3.83,;58.77,-5.16,;59.54,-6.5,;61.08,-6.49,;62.1,-7.64,;63.51,-7.03,;63.36,-5.5,;61.86,-5.17,;57.23,-5.15,;56.46,-6.49,;54.91,-6.48,;54.15,-5.14,;52.61,-5.13,;51.84,-6.46,;53.17,-7.23,;51.83,-8,;50.29,-6.47,;49.52,-5.14,;47.98,-5.14,;47.2,-3.81,;47.22,-6.47,;47.99,-7.8,;49.53,-7.8,;50.3,-9.14,;51.07,-10.47,;54.92,-3.81,;56.46,-3.81,)|
Show InChI InChI=1S/C24H21ClN6O4S/c25-16-4-1-15(12-26)21(11-16)36(33,34)31-17-5-2-14(3-6-17)22-28-23-20(13-27-30-23)24(29-22)35-19-9-7-18(32)8-10-19/h1-6,11,13,18-19,31-32H,7-10H2,(H,27,28,29,30)
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n/an/a<1.5n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of SGK1 (unknown origin) assessed as substrate phosphorylation


ACS Med Chem Lett 6: 19-20 (2015)


Article DOI: 10.1021/ml500480n
BindingDB Entry DOI: 10.7270/Q2PZ5BFB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043020
PNG
(CHEMBL3355030)
Show SMILES COc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc(O[C@H]2CC[C@H](O)CC2)c2c(C)n[nH]c2n1 |r,wU:23.24,wD:26.28,(46.54,-10.36,;45.77,-11.7,;46.55,-13.04,;45.79,-14.37,;46.56,-15.69,;48.1,-15.7,;48.87,-17.03,;48.87,-14.36,;48.1,-13.03,;50.41,-14.36,;51.74,-15.13,;50.41,-15.9,;51.18,-13.03,;52.72,-13.03,;53.49,-14.38,;55.03,-14.38,;55.81,-13.05,;55.03,-11.7,;53.49,-11.71,;57.34,-13.05,;58.11,-11.72,;59.65,-11.72,;60.42,-10.38,;61.96,-10.38,;62.73,-9.05,;64.28,-9.05,;65.05,-10.39,;66.59,-10.39,;64.27,-11.72,;62.73,-11.72,;60.43,-13.06,;61.93,-13.39,;63.08,-12.37,;62.08,-14.92,;60.67,-15.54,;59.65,-14.39,;58.11,-14.39,)|
Show InChI InChI=1/C25H26FN5O5S/c1-14-22-24(30-29-14)27-23(28-25(22)36-18-9-7-17(32)8-10-18)15-3-5-16(6-4-15)31-37(33,34)21-13-19(35-2)11-12-20(21)26/h3-6,11-13,17-18,31-32H,7-10H2,1-2H3,(H,27,28,29,30)/t17-,18-
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n/an/a<1.5n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of SGK1 (unknown origin) assessed as substrate phosphorylation


ACS Med Chem Lett 6: 19-20 (2015)


Article DOI: 10.1021/ml500480n
BindingDB Entry DOI: 10.7270/Q2PZ5BFB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043023
PNG
(CHEMBL3355033 | US9718825, Example 308)
Show SMILES Cc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc(OCC2CNCCO2)c2cn[nH]c2n1
Show InChI InChI=1/C23H23FN6O4S/c1-14-2-7-19(24)20(10-14)35(31,32)30-16-5-3-15(4-6-16)21-27-22-18(12-26-29-22)23(28-21)34-13-17-11-25-8-9-33-17/h2-7,10,12,17,25,30H,8-9,11,13H2,1H3,(H,26,27,28,29)
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n/an/a 6.20n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of SGK1 (unknown origin) assessed as substrate phosphorylation


ACS Med Chem Lett 6: 19-20 (2015)


Article DOI: 10.1021/ml500480n
BindingDB Entry DOI: 10.7270/Q2PZ5BFB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043022
PNG
(CHEMBL3355032)
Show SMILES Cc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc(C2CC2)c2cn[nH]c2n1
Show InChI InChI=1S/C21H18FN5O2S/c1-12-2-9-17(22)18(10-12)30(28,29)27-15-7-5-14(6-8-15)20-24-19(13-3-4-13)16-11-23-26-21(16)25-20/h2,5-11,13,27H,3-4H2,1H3,(H,23,24,25,26)
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n/an/a 6.5n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of SGK1 (unknown origin) assessed as substrate phosphorylation


ACS Med Chem Lett 6: 19-20 (2015)


Article DOI: 10.1021/ml500480n
BindingDB Entry DOI: 10.7270/Q2PZ5BFB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043023
PNG
(CHEMBL3355033 | US9718825, Example 308)
Show SMILES Cc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc(OCC2CNCCO2)c2cn[nH]c2n1
Show InChI InChI=1/C23H23FN6O4S/c1-14-2-7-19(24)20(10-14)35(31,32)30-16-5-3-15(4-6-16)21-27-22-18(12-26-29-22)23(28-21)34-13-17-11-25-8-9-33-17/h2-7,10,12,17,25,30H,8-9,11,13H2,1H3,(H,26,27,28,29)
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n/an/a 10n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant SGK1 (unknown origin) expressed in U2OS cells by cellular activity assay


ACS Med Chem Lett 6: 19-20 (2015)


Article DOI: 10.1021/ml500480n
BindingDB Entry DOI: 10.7270/Q2PZ5BFB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043026
PNG
(CHEMBL3355036)
Show SMILES Nc1n[nH]c2nc(ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
Show InChI InChI=1S/C17H12ClFN6O2S/c18-10-3-6-13(19)14(7-10)28(26,27)25-11-4-1-9(2-5-11)16-21-8-12-15(20)23-24-17(12)22-16/h1-8,25H,(H3,20,21,22,23,24)
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n/an/a 19n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of SGK1 (unknown origin) assessed as substrate phosphorylation


ACS Med Chem Lett 6: 19-20 (2015)


Article DOI: 10.1021/ml500480n
BindingDB Entry DOI: 10.7270/Q2PZ5BFB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043021
PNG
(CHEMBL3355031 | US9718825, Example 140)
Show SMILES COc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(C)ccc2F)cc1
Show InChI InChI=1S/C19H16FN5O3S/c1-11-3-8-15(20)16(9-11)29(26,27)25-13-6-4-12(5-7-13)17-22-18-14(10-21-24-18)19(23-17)28-2/h3-10,25H,1-2H3,(H,21,22,23,24)
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n/an/a 50n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant SGK1 (unknown origin) expressed in U2OS cells by cellular activity assay


ACS Med Chem Lett 6: 19-20 (2015)


Article DOI: 10.1021/ml500480n
BindingDB Entry DOI: 10.7270/Q2PZ5BFB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043025
PNG
(CHEMBL3355035 | US9718825, Example 520)
Show SMILES COc1ccc(C#N)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc(C2CC2)c2c(N)n[nH]c2n1
Show InChI InChI=1S/C22H19N7O3S/c1-32-16-9-6-14(11-23)17(10-16)33(30,31)29-15-7-4-13(5-8-15)21-25-19(12-2-3-12)18-20(24)27-28-22(18)26-21/h4-10,12,29H,2-3H2,1H3,(H3,24,25,26,27,28)
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n/an/a 61n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant SGK1 (unknown origin) expressed in U2OS cells by cellular activity assay


ACS Med Chem Lett 6: 19-20 (2015)


Article DOI: 10.1021/ml500480n
BindingDB Entry DOI: 10.7270/Q2PZ5BFB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043017
PNG
(CHEMBL3355027)
Show SMILES OC1CCC(CC1)Oc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2C#N)cc1 |(68.02,-2.5,;66.48,-2.49,;65.7,-3.83,;64.16,-3.83,;63.39,-2.48,;64.16,-1.15,;65.7,-1.16,;61.85,-2.48,;61.08,-3.82,;59.54,-3.83,;58.77,-5.16,;59.54,-6.5,;61.08,-6.49,;62.1,-7.64,;63.51,-7.03,;63.36,-5.5,;61.86,-5.17,;57.23,-5.15,;56.46,-6.49,;54.91,-6.48,;54.15,-5.14,;52.61,-5.13,;51.84,-6.46,;53.17,-7.23,;51.83,-8,;50.29,-6.47,;49.52,-5.14,;47.98,-5.14,;47.2,-3.81,;47.22,-6.47,;47.99,-7.8,;49.53,-7.8,;50.3,-9.14,;51.07,-10.47,;54.92,-3.81,;56.46,-3.81,)|
Show InChI InChI=1S/C24H21ClN6O4S/c25-16-4-1-15(12-26)21(11-16)36(33,34)31-17-5-2-14(3-6-17)22-28-23-20(13-27-30-23)24(29-22)35-19-9-7-18(32)8-10-19/h1-6,11,13,18-19,31-32H,7-10H2,(H,27,28,29,30)
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n/an/a 110n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant SGK1 (unknown origin) expressed in U2OS cells by cellular activity assay


ACS Med Chem Lett 6: 19-20 (2015)


Article DOI: 10.1021/ml500480n
BindingDB Entry DOI: 10.7270/Q2PZ5BFB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043019
PNG
(CHEMBL3355029)
Show SMILES O[C@H]1CC[C@@H](CC1)Oc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 |r,wU:4.7,wD:1.0,(43,-11.27,;41.45,-11.27,;40.68,-9.93,;39.13,-9.93,;38.37,-11.26,;39.14,-12.6,;40.68,-12.61,;36.83,-11.26,;36.06,-12.6,;34.52,-12.6,;33.75,-13.93,;34.52,-15.27,;36.05,-15.27,;37.07,-16.42,;38.48,-15.8,;38.34,-14.27,;36.83,-13.94,;32.21,-13.93,;31.43,-15.26,;29.89,-15.26,;29.13,-13.92,;27.59,-13.91,;26.81,-15.24,;28.15,-16.01,;26.81,-16.78,;25.27,-15.25,;24.5,-13.91,;22.96,-13.92,;22.18,-12.58,;22.2,-15.25,;22.96,-16.57,;24.5,-16.58,;25.27,-17.91,;29.9,-12.59,;31.44,-12.59,)|
Show InChI InChI=1/C23H21ClFN5O4S/c24-14-3-10-19(25)20(11-14)35(32,33)30-15-4-1-13(2-5-15)21-27-22-18(12-26-29-22)23(28-21)34-17-8-6-16(31)7-9-17/h1-5,10-12,16-17,30-31H,6-9H2,(H,26,27,28,29)/t16-,17-
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n/an/a 120n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant SGK1 (unknown origin) expressed in U2OS cells by cellular activity assay


ACS Med Chem Lett 6: 19-20 (2015)


Article DOI: 10.1021/ml500480n
BindingDB Entry DOI: 10.7270/Q2PZ5BFB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043024
PNG
(CHEMBL3355034 | US9718825, Example 310)
Show SMILES CC(C)COc1nc(nc2[nH]nc(N)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C21H20Cl2N6O3S/c1-11(2)10-32-21-17-18(24)27-28-20(17)25-19(26-21)12-3-6-14(7-4-12)29-33(30,31)16-9-13(22)5-8-15(16)23/h3-9,11,29H,10H2,1-2H3,(H3,24,25,26,27,28)
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n/an/a 130n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of SGK1 (unknown origin) assessed as substrate phosphorylation


ACS Med Chem Lett 6: 19-20 (2015)


Article DOI: 10.1021/ml500480n
BindingDB Entry DOI: 10.7270/Q2PZ5BFB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043022
PNG
(CHEMBL3355032)
Show SMILES Cc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc(C2CC2)c2cn[nH]c2n1
Show InChI InChI=1S/C21H18FN5O2S/c1-12-2-9-17(22)18(10-12)30(28,29)27-15-7-5-14(6-8-15)20-24-19(13-3-4-13)16-11-23-26-21(16)25-20/h2,5-11,13,27H,3-4H2,1H3,(H,23,24,25,26)
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n/an/a 150n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant SGK1 (unknown origin) expressed in U2OS cells by cellular activity assay


ACS Med Chem Lett 6: 19-20 (2015)


Article DOI: 10.1021/ml500480n
BindingDB Entry DOI: 10.7270/Q2PZ5BFB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043020
PNG
(CHEMBL3355030)
Show SMILES COc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc(O[C@H]2CC[C@H](O)CC2)c2c(C)n[nH]c2n1 |r,wU:23.24,wD:26.28,(46.54,-10.36,;45.77,-11.7,;46.55,-13.04,;45.79,-14.37,;46.56,-15.69,;48.1,-15.7,;48.87,-17.03,;48.87,-14.36,;48.1,-13.03,;50.41,-14.36,;51.74,-15.13,;50.41,-15.9,;51.18,-13.03,;52.72,-13.03,;53.49,-14.38,;55.03,-14.38,;55.81,-13.05,;55.03,-11.7,;53.49,-11.71,;57.34,-13.05,;58.11,-11.72,;59.65,-11.72,;60.42,-10.38,;61.96,-10.38,;62.73,-9.05,;64.28,-9.05,;65.05,-10.39,;66.59,-10.39,;64.27,-11.72,;62.73,-11.72,;60.43,-13.06,;61.93,-13.39,;63.08,-12.37,;62.08,-14.92,;60.67,-15.54,;59.65,-14.39,;58.11,-14.39,)|
Show InChI InChI=1/C25H26FN5O5S/c1-14-22-24(30-29-14)27-23(28-25(22)36-18-9-7-17(32)8-10-18)15-3-5-16(6-4-15)31-37(33,34)21-13-19(35-2)11-12-20(21)26/h3-6,11-13,17-18,31-32H,7-10H2,1-2H3,(H,27,28,29,30)/t17-,18-
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n/an/a 170n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant SGK1 (unknown origin) expressed in U2OS cells by cellular activity assay


ACS Med Chem Lett 6: 19-20 (2015)


Article DOI: 10.1021/ml500480n
BindingDB Entry DOI: 10.7270/Q2PZ5BFB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043024
PNG
(CHEMBL3355034 | US9718825, Example 310)
Show SMILES CC(C)COc1nc(nc2[nH]nc(N)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C21H20Cl2N6O3S/c1-11(2)10-32-21-17-18(24)27-28-20(17)25-19(26-21)12-3-6-14(7-4-12)29-33(30,31)16-9-13(22)5-8-15(16)23/h3-9,11,29H,10H2,1-2H3,(H3,24,25,26,27,28)
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n/an/a 220n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant SGK1 (unknown origin) expressed in U2OS cells by cellular activity assay


ACS Med Chem Lett 6: 19-20 (2015)


Article DOI: 10.1021/ml500480n
BindingDB Entry DOI: 10.7270/Q2PZ5BFB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043018
PNG
(CHEMBL3355028 | US9718825, Example 63)
Show SMILES NCCCOc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C20H18Cl2N6O3S/c21-13-4-7-16(22)17(10-13)32(29,30)28-14-5-2-12(3-6-14)18-25-19-15(11-24-27-19)20(26-18)31-9-1-8-23/h2-7,10-11,28H,1,8-9,23H2,(H,24,25,26,27)
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n/an/a 280n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant SGK1 (unknown origin) expressed in U2OS cells by cellular activity assay


ACS Med Chem Lett 6: 19-20 (2015)


Article DOI: 10.1021/ml500480n
BindingDB Entry DOI: 10.7270/Q2PZ5BFB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043026
PNG
(CHEMBL3355036)
Show SMILES Nc1n[nH]c2nc(ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
Show InChI InChI=1S/C17H12ClFN6O2S/c18-10-3-6-13(19)14(7-10)28(26,27)25-11-4-1-9(2-5-11)16-21-8-12-15(20)23-24-17(12)22-16/h1-8,25H,(H3,20,21,22,23,24)
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Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant SGK1 (unknown origin) expressed in U2OS cells by cellular activity assay


ACS Med Chem Lett 6: 19-20 (2015)


Article DOI: 10.1021/ml500480n
BindingDB Entry DOI: 10.7270/Q2PZ5BFB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043016
PNG
(CHEMBL3355026 | US9718825, Example 3)
Show SMILES OC1CCC(CC1)Oc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 |(44.14,-2.28,;42.6,-2.28,;41.82,-3.61,;40.29,-3.61,;39.52,-2.26,;40.28,-.93,;41.83,-.94,;37.97,-2.27,;37.2,-3.6,;35.66,-3.61,;34.89,-4.94,;35.66,-6.28,;37.2,-6.27,;38.22,-7.42,;39.63,-6.81,;39.48,-5.28,;37.98,-4.95,;33.36,-4.93,;32.58,-6.27,;31.04,-6.26,;30.28,-4.92,;28.73,-4.91,;27.96,-6.24,;29.29,-7.02,;27.96,-7.78,;26.42,-6.25,;25.65,-4.92,;24.1,-4.92,;23.33,-3.59,;23.34,-6.25,;24.11,-7.58,;25.65,-7.58,;26.42,-8.92,;31.04,-3.59,;32.58,-3.59,)|
Show InChI InChI=1S/C23H21ClFN5O4S/c24-14-3-10-19(25)20(11-14)35(32,33)30-15-4-1-13(2-5-15)21-27-22-18(12-26-29-22)23(28-21)34-17-8-6-16(31)7-9-17/h1-5,10-12,16-17,30-31H,6-9H2,(H,26,27,28,29)
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n/an/a 670n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant SGK1 (unknown origin) expressed in U2OS cells by cellular activity assay


ACS Med Chem Lett 6: 19-20 (2015)


Article DOI: 10.1021/ml500480n
BindingDB Entry DOI: 10.7270/Q2PZ5BFB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043015
PNG
(CHEMBL3355025 | US9718825, Example 1)
Show SMILES Cc1n[nH]c2nc(ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C18H13Cl2N5O2S/c1-10-14-9-21-17(22-18(14)24-23-10)11-2-5-13(6-3-11)25-28(26,27)16-8-12(19)4-7-15(16)20/h2-9,25H,1H3,(H,21,22,23,24)
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n/an/a 830n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant SGK1 (unknown origin) expressed in U2OS cells by cellular activity assay


ACS Med Chem Lett 6: 19-20 (2015)


Article DOI: 10.1021/ml500480n
BindingDB Entry DOI: 10.7270/Q2PZ5BFB
More data for this
Ligand-Target Pair