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SMILES: Cc1n[nH]c2nc(nc(OCCCN)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1

InChI Key: InChIKey=CVWBCRURJFFDOF-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 268804   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM268804
PNG
(US9718825, Example 209)
Show SMILES Cc1n[nH]c2nc(nc(OCCCN)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
Show InChI InChI=1S/C21H20ClFN6O3S/c1-12-18-20(28-27-12)25-19(26-21(18)32-10-2-9-24)13-3-6-15(7-4-13)29-33(30,31)17-11-14(22)5-8-16(17)23/h3-8,11,29H,2,9-10,24H2,1H3,(H,25,26,27,28)
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US Patent
n/an/a<1.5n/an/an/an/a7.4n/a



SANOFI

US Patent


Assay Description
The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed t...


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))
BDBM268804
PNG
(US9718825, Example 209)
Show SMILES Cc1n[nH]c2nc(nc(OCCCN)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
Show InChI InChI=1S/C21H20ClFN6O3S/c1-12-18-20(28-27-12)25-19(26-21(18)32-10-2-9-24)13-3-6-15(7-4-13)29-33(30,31)17-11-14(22)5-8-16(17)23/h3-8,11,29H,2,9-10,24H2,1H3,(H,25,26,27,28)
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PC sid
UniChem
Article
PubMed
n/an/a<2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM268804
PNG
(US9718825, Example 209)
Show SMILES Cc1n[nH]c2nc(nc(OCCCN)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
Show InChI InChI=1S/C21H20ClFN6O3S/c1-12-18-20(28-27-12)25-19(26-21(18)32-10-2-9-24)13-3-6-15(7-4-13)29-33(30,31)17-11-14(22)5-8-16(17)23/h3-8,11,29H,2,9-10,24H2,1H3,(H,25,26,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01601
BindingDB Entry DOI: 10.7270/Q2P55SCW
More data for this
Ligand-Target Pair