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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Inhibitor of nuclear factor kappa-B kinase subunit epsilon' and Ligand = 'BDBM278279'   
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))
BDBM278279
PNG
(5-(4-((4-((S)-2,4-dimethylpiperazin-1-yl)phenyl)am...)
Show SMILES C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(C)C[C@@H]3C)n2)[C@H](F)C1 |r|
Show InChI InChI=1S/C30H35FN8O3/c1-19-16-37(3)12-13-39(19)24-7-5-23(6-8-24)35-30-34-18-33-28(36-30)21-4-9-26(22(14-21)15-32)42-27-10-11-38(17-25(27)31)29(41)20(2)40/h4-9,14,18-20,25,27,40H,10-13,16-17H2,1-3H3,(H,33,34,35,36)/t19-,20-,25+,27-/m0/s1
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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))
BDBM278279
PNG
(5-(4-((4-((S)-2,4-dimethylpiperazin-1-yl)phenyl)am...)
Show SMILES C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(C)C[C@@H]3C)n2)[C@H](F)C1 |r|
Show InChI InChI=1S/C30H35FN8O3/c1-19-16-37(3)12-13-39(19)24-7-5-23(6-8-24)35-30-34-18-33-28(36-30)21-4-9-26(22(14-21)15-32)42-27-10-11-38(17-25(27)31)29(41)20(2)40/h4-9,14,18-20,25,27,40H,10-13,16-17H2,1-3H3,(H,33,34,35,36)/t19-,20-,25+,27-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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