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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Sgk1' and Ligand = 'BDBM50043934'   
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))
BDBM50043934
PNG
(CHEMBL3356029)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(NS(=O)(=O)c2cc(ccc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C20H14F4N4O2S/c21-16-8-4-13(20(22,23)24)10-18(16)31(29,30)28-14-5-1-11(2-6-14)12-3-7-15-17(9-12)26-27-19(15)25/h1-10,28H,(H3,25,26,27)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043934
PNG
(CHEMBL3356029)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(NS(=O)(=O)c2cc(ccc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C20H14F4N4O2S/c21-16-8-4-13(20(22,23)24)10-18(16)31(29,30)28-14-5-1-11(2-6-14)12-3-7-15-17(9-12)26-27-19(15)25/h1-10,28H,(H3,25,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 129n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair