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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 = 'BDBM50043018'   
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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US Patent
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))
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))
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)
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
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