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Compile Data Set for Download or QSAR

Found 123 hits with Last Name = 'ding-pfennigdorff' and Initial = 'd'   
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))
BDBM50584122
PNG
(CHEMBL5074684)
Show SMILES Cc1n[nH]c2nc(nc(OCC3(CN)COC3)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584115
PNG
(CHEMBL5081215)
Show SMILES Clc1cccc(c1Cl)S(=O)(=O)Nc1ccc(cc1)-c1cc(C(=O)NCc2cocn2)c2cn[nH]c2n1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584109
PNG
(CHEMBL5071237)
Show SMILES CN1CC(C1)NC(=O)c1cc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584107
PNG
(CHEMBL5077567)
Show SMILES NCCNC(=O)c1cc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584096
PNG
(CHEMBL5078023)
Show SMILES Clc1cccc(c1Cl)S(=O)(=O)Nc1ccc(cc1)-c1cc(C(=O)N[C@@H]2CCNC2)c2cn[nH]c2n1 |r|
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
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,)|
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Article
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584131
PNG
(CHEMBL5070612)
Show SMILES Cc1n[nH]c2nc(nc(OC3CCNCC3F)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM268850
PNG
(US9718825, Example 255 | US9718825, Example 261)
Show SMILES Cc1n[nH]c2nc(nc(OC3CCNCC3(F)F)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584128
PNG
(CHEMBL5083625)
Show SMILES Cc1n[nH]c2nc(nc(OC3CCNCC3)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM268914
PNG
(US9718825, Example 339)
Show SMILES Cc1n[nH]c2nc(nc(OC3CCCNC3)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584127
PNG
(CHEMBL5087162)
Show SMILES CC(C)N1CC(COc2nc(nc3[nH]nc(C)c23)-c2ccc(NS(=O)(=O)c3cc(Cl)ccc3F)cc2)C1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM268933
PNG
(US9718825, Example 359)
Show SMILES Cc1n[nH]c2nc(nc(OCC(CO)CO)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
Show InChI InChI=1S/C22H21ClFN5O5S/c1-12-19-21(28-27-12)25-20(26-22(19)34-11-13(9-30)10-31)14-2-5-16(6-3-14)29-35(32,33)18-8-15(23)4-7-17(18)24/h2-8,13,29-31H,9-11H2,1H3,(H,25,26,27,28)
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584122
PNG
(CHEMBL5074684)
Show SMILES Cc1n[nH]c2nc(nc(OCC3(CN)COC3)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
PDB
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584117
PNG
(CHEMBL5075362)
Show SMILES Clc1cccc(c1Cl)S(=O)(=O)Nc1ccc(cc1)-c1cc(C(=O)NCc2ncn[nH]2)c2cn[nH]c2n1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584112
PNG
(CHEMBL5079183)
Show SMILES Clc1cccc(c1Cl)S(=O)(=O)Nc1ccc(cc1)-c1cc(C(=O)NCc2ncc[nH]2)c2cn[nH]c2n1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584111
PNG
(CHEMBL5090286)
Show SMILES CCN1CCC(CNC(=O)c2cc(nc3[nH]ncc23)-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)C1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584109
PNG
(CHEMBL5071237)
Show SMILES CN1CC(C1)NC(=O)c1cc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584107
PNG
(CHEMBL5077567)
Show SMILES NCCNC(=O)c1cc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584106
PNG
(CHEMBL5080922)
Show SMILES CN(CCO)C(=O)c1cc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584102
PNG
(CHEMBL5075992)
Show SMILES NC(=O)c1cc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584101
PNG
(CHEMBL5087657)
Show SMILES Clc1cccc(c1Cl)S(=O)(=O)Nc1ccc(cc1)-c1cc(C(=O)NC2CCN(CC3CC3)C2)c2cn[nH]c2n1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584100
PNG
(CHEMBL5093306)
Show SMILES OCCN1CCC(C1)NC(=O)c1cc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584097
PNG
(CHEMBL5084696)
Show SMILES CN1CCC(C1)NC(=O)c1cc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584096
PNG
(CHEMBL5078023)
Show SMILES Clc1cccc(c1Cl)S(=O)(=O)Nc1ccc(cc1)-c1cc(C(=O)N[C@@H]2CCNC2)c2cn[nH]c2n1 |r|
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584131
PNG
(CHEMBL5070612)
Show SMILES Cc1n[nH]c2nc(nc(OC3CCNCC3F)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM268850
PNG
(US9718825, Example 255 | US9718825, Example 261)
Show SMILES Cc1n[nH]c2nc(nc(OC3CCNCC3(F)F)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584128
PNG
(CHEMBL5083625)
Show SMILES Cc1n[nH]c2nc(nc(OC3CCNCC3)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM268914
PNG
(US9718825, Example 339)
Show SMILES Cc1n[nH]c2nc(nc(OC3CCCNC3)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584127
PNG
(CHEMBL5087162)
Show SMILES CC(C)N1CC(COc2nc(nc3[nH]nc(C)c23)-c2ccc(NS(=O)(=O)c3cc(Cl)ccc3F)cc2)C1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM268804
PNG
(US9718825, Example 209)
Show SMILES Cc1n[nH]c2nc(nc(OCCCN)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
Show InChI InChI=1S/C21H20ClFN6O3S/c1-12-18-20(28-27-12)25-19(26-21(18)32-10-2-9-24)13-3-6-15(7-4-13)29-33(30,31)17-11-14(22)5-8-16(17)23/h3-8,11,29H,2,9-10,24H2,1H3,(H,25,26,27,28)
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM268810
PNG
(US9718825, Example 215)
Show SMILES Cc1n[nH]c2nc(nc(OC3CCC(O)CC3)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 |(8.24,.5,;7.09,-.53,;7.25,-2.06,;5.85,-2.68,;4.82,-1.54,;3.28,-1.54,;2.51,-.21,;3.28,1.13,;4.82,1.13,;5.59,2.46,;4.82,3.79,;5.59,5.13,;4.82,6.46,;3.28,6.46,;2.51,7.8,;2.51,5.13,;3.28,3.79,;5.59,-.21,;.97,-.21,;.2,-1.54,;-1.34,-1.54,;-2.11,-.21,;-3.65,-.21,;-4.42,-1.54,;-5.19,-2.87,;-3.09,-2.31,;-5.76,-.77,;-5.76,.77,;-7.09,1.54,;-7.09,3.08,;-8.43,.77,;-8.43,-.77,;-7.09,-1.54,;-7.09,-3.08,;-1.34,1.13,;.2,1.13,)|
Show InChI InChI=1S/C24H23ClFN5O4S/c1-13-21-23(30-29-13)27-22(28-24(21)35-18-9-7-17(32)8-10-18)14-2-5-16(6-3-14)31-36(33,34)20-12-15(25)4-11-19(20)26/h2-6,11-12,17-18,31-32H,7-10H2,1H3,(H,27,28,29,30)
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM268866
PNG
(US9718825, Example 291)
Show SMILES Cc1n[nH]c2nc(nc(OCC3CNCCO3)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM268804
PNG
(US9718825, Example 209)
Show SMILES Cc1n[nH]c2nc(nc(OCCCN)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
Show InChI InChI=1S/C21H20ClFN6O3S/c1-12-18-20(28-27-12)25-19(26-21(18)32-10-2-9-24)13-3-6-15(7-4-13)29-33(30,31)17-11-14(22)5-8-16(17)23/h3-8,11,29H,2,9-10,24H2,1H3,(H,25,26,27,28)
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM268971
PNG
(US9718825, Example 399)
Show SMILES CCN1CCC(CC1)Oc1nc(nc2[nH]nc(C)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
Show InChI InChI=1S/C25H26ClFN6O3S/c1-3-33-12-10-19(11-13-33)36-25-22-15(2)30-31-24(22)28-23(29-25)16-4-7-18(8-5-16)32-37(34,35)21-14-17(26)6-9-20(21)27/h4-9,14,19,32H,3,10-13H2,1-2H3,(H,28,29,30,31)
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM268810
PNG
(US9718825, Example 215)
Show SMILES Cc1n[nH]c2nc(nc(OC3CCC(O)CC3)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 |(8.24,.5,;7.09,-.53,;7.25,-2.06,;5.85,-2.68,;4.82,-1.54,;3.28,-1.54,;2.51,-.21,;3.28,1.13,;4.82,1.13,;5.59,2.46,;4.82,3.79,;5.59,5.13,;4.82,6.46,;3.28,6.46,;2.51,7.8,;2.51,5.13,;3.28,3.79,;5.59,-.21,;.97,-.21,;.2,-1.54,;-1.34,-1.54,;-2.11,-.21,;-3.65,-.21,;-4.42,-1.54,;-5.19,-2.87,;-3.09,-2.31,;-5.76,-.77,;-5.76,.77,;-7.09,1.54,;-7.09,3.08,;-8.43,.77,;-8.43,-.77,;-7.09,-1.54,;-7.09,-3.08,;-1.34,1.13,;.2,1.13,)|
Show InChI InChI=1S/C24H23ClFN5O4S/c1-13-21-23(30-29-13)27-22(28-24(21)35-18-9-7-17(32)8-10-18)14-2-5-16(6-3-14)31-36(33,34)20-12-15(25)4-11-19(20)26/h2-6,11-12,17-18,31-32H,7-10H2,1H3,(H,27,28,29,30)
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM268964
PNG
(US9718825, Example 391)
Show SMILES Cc1n[nH]c2nc(nc(OCCCO)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
Show InChI InChI=1S/C21H19ClFN5O4S/c1-12-18-20(27-26-12)24-19(25-21(18)32-10-2-9-29)13-3-6-15(7-4-13)28-33(30,31)17-11-14(22)5-8-16(17)23/h3-8,11,28-29H,2,9-10H2,1H3,(H,24,25,26,27)
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584125
PNG
(CHEMBL5083859)
Show SMILES Cc1n[nH]c2nc(nc(Oc3ccc(O)nc3)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM268866
PNG
(US9718825, Example 291)
Show SMILES Cc1n[nH]c2nc(nc(OCC3CNCCO3)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM268921
PNG
(US9718825, Example 346)
Show SMILES CC(C)N1CCC(CC1)Oc1nc(nc2[nH]nc(C)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
Show InChI InChI=1S/C26H28ClFN6O3S/c1-15(2)34-12-10-20(11-13-34)37-26-23-16(3)31-32-25(23)29-24(30-26)17-4-7-19(8-5-17)33-38(35,36)22-14-18(27)6-9-21(22)28/h4-9,14-15,20,33H,10-13H2,1-3H3,(H,29,30,31,32)
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584108
PNG
(CHEMBL5071460)
Show SMILES Clc1cccc(c1Cl)S(=O)(=O)Nc1ccc(cc1)-c1cc(C(=O)N2CCNCC2)c2cn[nH]c2n1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584095
PNG
(CHEMBL5093302)
Show SMILES Cc1n[nH]c2nc(nc(OC3CCN(CC3)C3CC3)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584130
PNG
(CHEMBL5081330)
Show SMILES CN1C(C)(C)CC(CC1(C)C)Oc1nc(nc2[nH]nc(C)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043918
PNG
(CHEMBL3356044)
Show SMILES COc1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1cnc2c(N)n[nH]c2n1
Show InChI InChI=1S/C18H15ClN6O3S/c1-28-12-6-7-13(19)15(8-12)29(26,27)25-11-4-2-10(3-5-11)14-9-21-16-17(20)23-24-18(16)22-14/h2-9,25H,1H3,(H3,20,22,23,24)
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM268933
PNG
(US9718825, Example 359)
Show SMILES Cc1n[nH]c2nc(nc(OCC(CO)CO)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
Show InChI InChI=1S/C22H21ClFN5O5S/c1-12-19-21(28-27-12)25-20(26-22(19)34-11-13(9-30)10-31)14-2-5-16(6-3-14)29-35(32,33)18-8-15(23)4-7-17(18)24/h2-8,13,29-31H,9-11H2,1H3,(H,25,26,27,28)
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM268941
PNG
(US9718825, Example 367)
Show SMILES Cc1n[nH]c2nc(nc(OCC(F)(F)CN)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
Show InChI InChI=1S/C21H18ClF3N6O3S/c1-11-17-19(30-29-11)27-18(28-20(17)34-10-21(24,25)9-26)12-2-5-14(6-3-12)31-35(32,33)16-8-13(22)4-7-15(16)23/h2-8,31H,9-10,26H2,1H3,(H,27,28,29,30)
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM269003
PNG
(N-[4-(3-Amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-ph...)
Show SMILES Nc1n[nH]c2nc(ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2C#N)cc1
Show InChI InChI=1S/C18H12ClN7O2S/c19-12-4-1-11(8-20)15(7-12)29(27,28)26-13-5-2-10(3-6-13)17-22-9-14-16(21)24-25-18(14)23-17/h1-7,9,26H,(H3,21,22,23,24,25)
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
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,)|
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Article
PubMed
n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584119
PNG
(CHEMBL5086767)
Show SMILES Clc1cccc(c1Cl)S(=O)(=O)Nc1ccc(cc1)-c1cc(C(=O)NCCn2cnnc2)c2cn[nH]c2n1
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM268921
PNG
(US9718825, Example 346)
Show SMILES CC(C)N1CCC(CC1)Oc1nc(nc2[nH]nc(C)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
Show InChI InChI=1S/C26H28ClFN6O3S/c1-15(2)34-12-10-20(11-13-34)37-26-23-16(3)31-32-25(23)29-24(30-26)17-4-7-19(8-5-17)33-38(35,36)22-14-18(27)6-9-21(22)28/h4-9,14-15,20,33H,10-13H2,1-3H3,(H,29,30,31,32)
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TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50584129
PNG
(CHEMBL5077971)
Show SMILES Cc1n[nH]c2nc(nc(OC3CC(C)(C)NC(C)(C)C3)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
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