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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 = 'BDBM50043020'   
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))
BDBM50043020
PNG
(CHEMBL3355030)
Show SMILES COc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc(O[C@H]2CC[C@H](O)CC2)c2c(C)n[nH]c2n1 |r,wU:23.24,wD:26.28,(46.54,-10.36,;45.77,-11.7,;46.55,-13.04,;45.79,-14.37,;46.56,-15.69,;48.1,-15.7,;48.87,-17.03,;48.87,-14.36,;48.1,-13.03,;50.41,-14.36,;51.74,-15.13,;50.41,-15.9,;51.18,-13.03,;52.72,-13.03,;53.49,-14.38,;55.03,-14.38,;55.81,-13.05,;55.03,-11.7,;53.49,-11.71,;57.34,-13.05,;58.11,-11.72,;59.65,-11.72,;60.42,-10.38,;61.96,-10.38,;62.73,-9.05,;64.28,-9.05,;65.05,-10.39,;66.59,-10.39,;64.27,-11.72,;62.73,-11.72,;60.43,-13.06,;61.93,-13.39,;63.08,-12.37,;62.08,-14.92,;60.67,-15.54,;59.65,-14.39,;58.11,-14.39,)|
Show InChI InChI=1/C25H26FN5O5S/c1-14-22-24(30-29-14)27-23(28-25(22)36-18-9-7-17(32)8-10-18)15-3-5-16(6-4-15)31-37(33,34)21-13-19(35-2)11-12-20(21)26/h3-6,11-13,17-18,31-32H,7-10H2,1-2H3,(H,27,28,29,30)/t17-,18-
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n/an/a<1.5n/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))
BDBM50043020
PNG
(CHEMBL3355030)
Show SMILES COc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc(O[C@H]2CC[C@H](O)CC2)c2c(C)n[nH]c2n1 |r,wU:23.24,wD:26.28,(46.54,-10.36,;45.77,-11.7,;46.55,-13.04,;45.79,-14.37,;46.56,-15.69,;48.1,-15.7,;48.87,-17.03,;48.87,-14.36,;48.1,-13.03,;50.41,-14.36,;51.74,-15.13,;50.41,-15.9,;51.18,-13.03,;52.72,-13.03,;53.49,-14.38,;55.03,-14.38,;55.81,-13.05,;55.03,-11.7,;53.49,-11.71,;57.34,-13.05,;58.11,-11.72,;59.65,-11.72,;60.42,-10.38,;61.96,-10.38,;62.73,-9.05,;64.28,-9.05,;65.05,-10.39,;66.59,-10.39,;64.27,-11.72,;62.73,-11.72,;60.43,-13.06,;61.93,-13.39,;63.08,-12.37,;62.08,-14.92,;60.67,-15.54,;59.65,-14.39,;58.11,-14.39,)|
Show InChI InChI=1/C25H26FN5O5S/c1-14-22-24(30-29-14)27-23(28-25(22)36-18-9-7-17(32)8-10-18)15-3-5-16(6-4-15)31-37(33,34)21-13-19(35-2)11-12-20(21)26/h3-6,11-13,17-18,31-32H,7-10H2,1-2H3,(H,27,28,29,30)/t17-,18-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 170n/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