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SMILES: Cc1n[nH]c2nc(nc(OC3CCC(O)CC3)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1

InChI Key: InChIKey=FJHKQZFRXVLCAZ-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 = 268810   
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))
BDBM268810
PNG
(US9718825, Example 215)
Show SMILES Cc1n[nH]c2nc(nc(OC3CCC(O)CC3)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 |(8.24,.5,;7.09,-.53,;7.25,-2.06,;5.85,-2.68,;4.82,-1.54,;3.28,-1.54,;2.51,-.21,;3.28,1.13,;4.82,1.13,;5.59,2.46,;4.82,3.79,;5.59,5.13,;4.82,6.46,;3.28,6.46,;2.51,7.8,;2.51,5.13,;3.28,3.79,;5.59,-.21,;.97,-.21,;.2,-1.54,;-1.34,-1.54,;-2.11,-.21,;-3.65,-.21,;-4.42,-1.54,;-5.19,-2.87,;-3.09,-2.31,;-5.76,-.77,;-5.76,.77,;-7.09,1.54,;-7.09,3.08,;-8.43,.77,;-8.43,-.77,;-7.09,-1.54,;-7.09,-3.08,;-1.34,1.13,;.2,1.13,)|
Show InChI InChI=1S/C24H23ClFN5O4S/c1-13-21-23(30-29-13)27-22(28-24(21)35-18-9-7-17(32)8-10-18)14-2-5-16(6-3-14)31-36(33,34)20-12-15(25)4-11-19(20)26/h2-6,11-12,17-18,31-32H,7-10H2,1H3,(H,27,28,29,30)
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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))
BDBM268810
PNG
(US9718825, Example 215)
Show SMILES Cc1n[nH]c2nc(nc(OC3CCC(O)CC3)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 |(8.24,.5,;7.09,-.53,;7.25,-2.06,;5.85,-2.68,;4.82,-1.54,;3.28,-1.54,;2.51,-.21,;3.28,1.13,;4.82,1.13,;5.59,2.46,;4.82,3.79,;5.59,5.13,;4.82,6.46,;3.28,6.46,;2.51,7.8,;2.51,5.13,;3.28,3.79,;5.59,-.21,;.97,-.21,;.2,-1.54,;-1.34,-1.54,;-2.11,-.21,;-3.65,-.21,;-4.42,-1.54,;-5.19,-2.87,;-3.09,-2.31,;-5.76,-.77,;-5.76,.77,;-7.09,1.54,;-7.09,3.08,;-8.43,.77,;-8.43,-.77,;-7.09,-1.54,;-7.09,-3.08,;-1.34,1.13,;.2,1.13,)|
Show InChI InChI=1S/C24H23ClFN5O4S/c1-13-21-23(30-29-13)27-22(28-24(21)35-18-9-7-17(32)8-10-18)14-2-5-16(6-3-14)31-36(33,34)20-12-15(25)4-11-19(20)26/h2-6,11-12,17-18,31-32H,7-10H2,1H3,(H,27,28,29,30)
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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))
BDBM268810
PNG
(US9718825, Example 215)
Show SMILES Cc1n[nH]c2nc(nc(OC3CCC(O)CC3)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 |(8.24,.5,;7.09,-.53,;7.25,-2.06,;5.85,-2.68,;4.82,-1.54,;3.28,-1.54,;2.51,-.21,;3.28,1.13,;4.82,1.13,;5.59,2.46,;4.82,3.79,;5.59,5.13,;4.82,6.46,;3.28,6.46,;2.51,7.8,;2.51,5.13,;3.28,3.79,;5.59,-.21,;.97,-.21,;.2,-1.54,;-1.34,-1.54,;-2.11,-.21,;-3.65,-.21,;-4.42,-1.54,;-5.19,-2.87,;-3.09,-2.31,;-5.76,-.77,;-5.76,.77,;-7.09,1.54,;-7.09,3.08,;-8.43,.77,;-8.43,-.77,;-7.09,-1.54,;-7.09,-3.08,;-1.34,1.13,;.2,1.13,)|
Show InChI InChI=1S/C24H23ClFN5O4S/c1-13-21-23(30-29-13)27-22(28-24(21)35-18-9-7-17(32)8-10-18)14-2-5-16(6-3-14)31-36(33,34)20-12-15(25)4-11-19(20)26/h2-6,11-12,17-18,31-32H,7-10H2,1H3,(H,27,28,29,30)
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
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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