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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Sgk1' and Ligand = 'BDBM50043019'   
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))
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))
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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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))
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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CHEMBL
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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))
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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CHEMBL
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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


(Mus musculus (Mouse))
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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CHEMBL
MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 253n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse SGK1 in presence 500 uM presence of ATP


Citation and Details

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