BindingDB logo
myBDB logout
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 = 'BDBM276999'   
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))
BDBM276999
PNG
(US10072001, Example 176 | US10259811, Example 176)
Show SMILES OCC(=O)N1CCC(Oc2cnc(cc2C#N)-c2ccnc3[nH]c(cc23)-c2ccc(cc2)N2CCN(CC2)C2COC2)C(F)(F)C1
Show InChI InChI=1S/C33H33F2N7O4/c34-33(35)20-42(31(44)17-43)8-6-30(33)46-29-16-38-28(13-22(29)15-36)25-5-7-37-32-26(25)14-27(39-32)21-1-3-23(4-2-21)40-9-11-41(12-10-40)24-18-45-19-24/h1-5,7,13-14,16,24,30,43H,6,8-12,17-20H2,(H,37,39)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.44n/an/an/an/an/an/a



University of Tokyo



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


Bioorg Med Chem 16: 4272-85 (2008)


BindingDB Entry DOI: 10.7270/Q2ZG6VKC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276999
PNG
(US10072001, Example 176 | US10259811, Example 176)
Show SMILES OCC(=O)N1CCC(Oc2cnc(cc2C#N)-c2ccnc3[nH]c(cc23)-c2ccc(cc2)N2CCN(CC2)C2COC2)C(F)(F)C1
Show InChI InChI=1S/C33H33F2N7O4/c34-33(35)20-42(31(44)17-43)8-6-30(33)46-29-16-38-28(13-22(29)15-36)25-5-7-37-32-26(25)14-27(39-32)21-1-3-23(4-2-21)40-9-11-41(12-10-40)24-18-45-19-24/h1-5,7,13-14,16,24,30,43H,6,8-12,17-20H2,(H,37,39)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.44n/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 US10072001 (2018)


BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair