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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase TBK1' and Ligand = 'BDBM277854'   
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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM277854
PNG
(5-(4-((4-(1-methylpiperidin-4-yl)phenyl)amino)-1,3...)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1
Show InChI InChI=1S/C27H30N6O2/c1-33-12-8-20(9-13-33)19-2-5-23(6-3-19)31-27-30-18-29-26(32-27)21-4-7-25(22(16-21)17-28)35-24-10-14-34-15-11-24/h2-7,16,18,20,24H,8-15H2,1H3,(H,29,30,31,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM277854
PNG
(5-(4-((4-(1-methylpiperidin-4-yl)phenyl)amino)-1,3...)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1
Show InChI InChI=1S/C27H30N6O2/c1-33-12-8-20(9-13-33)19-2-5-23(6-3-19)31-27-30-18-29-26(32-27)21-4-7-25(22(16-21)17-28)35-24-10-14-34-15-11-24/h2-7,16,18,20,24H,8-15H2,1H3,(H,29,30,31,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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