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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Sgk1' and Ligand = 'BDBM50043016'   
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))
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/a7.4n/a



SANOFI

US Patent




US Patent US9718825 (2017)


BindingDB Entry DOI: 10.7270/Q2VM4F82
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))
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)
PDB
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Article
PubMed
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