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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 = 'BDBM50043023'   
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))
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))
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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US Patent
n/an/a 6.20n/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))
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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