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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 = 'BDBM50043022'   
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))
BDBM50043022
PNG
(CHEMBL3355032)
Show SMILES Cc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc(C2CC2)c2cn[nH]c2n1
Show InChI InChI=1S/C21H18FN5O2S/c1-12-2-9-17(22)18(10-12)30(28,29)27-15-7-5-14(6-8-15)20-24-19(13-3-4-13)16-11-23-26-21(16)25-20/h2,5-11,13,27H,3-4H2,1H3,(H,23,24,25,26)
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PC cid
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Article
PubMed
n/an/a 6.5n/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))
BDBM50043022
PNG
(CHEMBL3355032)
Show SMILES Cc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc(C2CC2)c2cn[nH]c2n1
Show InChI InChI=1S/C21H18FN5O2S/c1-12-2-9-17(22)18(10-12)30(28,29)27-15-7-5-14(6-8-15)20-24-19(13-3-4-13)16-11-23-26-21(16)25-20/h2,5-11,13,27H,3-4H2,1H3,(H,23,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/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