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Found 2 hits Enz. Inhib. hit(s) with Target = 'Inhibitor of nuclear factor kappa-B kinase subunit epsilon' and Ligand = 'BDBM278167'   
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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278167
PNG
(2-(((3R,4S)-3-fluoro-1-((S)-2-hydroxypropanoyl)pip...)
Show SMILES COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@H](C)O)c(c2)C#N)ccc1N1CCN(CC1)C1COC1 |r|
Show InChI InChI=1S/C32H37FN8O5/c1-20(42)31(43)41-8-7-28(25(33)16-41)46-27-6-3-21(13-22(27)15-34)30-35-19-36-32(38-30)37-23-4-5-26(29(14-23)44-2)40-11-9-39(10-12-40)24-17-45-18-24/h3-6,13-14,19-20,24-25,28,42H,7-12,16-18H2,1-2H3,(H,35,36,37,38)/t20-,25+,28-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



University of Rome La Sapienza



Assay Description
Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...


J Med Chem 50: 6554-69 (2007)


BindingDB Entry DOI: 10.7270/Q2Q52RXT
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278167
PNG
(2-(((3R,4S)-3-fluoro-1-((S)-2-hydroxypropanoyl)pip...)
Show SMILES COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@H](C)O)c(c2)C#N)ccc1N1CCN(CC1)C1COC1 |r|
Show InChI InChI=1S/C32H37FN8O5/c1-20(42)31(43)41-8-7-28(25(33)16-41)46-27-6-3-21(13-22(27)15-34)30-35-19-36-32(38-30)37-23-4-5-26(29(14-23)44-2)40-11-9-39(10-12-40)24-17-45-18-24/h3-6,13-14,19-20,24-25,28,42H,7-12,16-18H2,1-2H3,(H,35,36,37,38)/t20-,25+,28-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+3n/an/an/an/a7.0n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...


US Patent US10040781 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J41
More data for this
Ligand-Target Pair