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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 = 'BDBM276958'   
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))
BDBM276958
PNG
(US10072001, Example 134 | US10259811, Example 134)
Show SMILES COc1cc(ccc1N1CCN(CC1)C(=O)CO)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N
Show InChI InChI=1S/C31H32N6O5/c1-40-28-15-20(2-4-26(28)36-8-10-37(11-9-36)29(39)18-38)25-16-24-30(33-19-34-31(24)35-25)21-3-5-27(22(14-21)17-32)42-23-6-12-41-13-7-23/h2-5,14-16,19,23,38H,6-13,18H2,1H3,(H,33,34,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.09n/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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM276958
PNG
(US10072001, Example 134 | US10259811, Example 134)
Show SMILES COc1cc(ccc1N1CCN(CC1)C(=O)CO)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N
Show InChI InChI=1S/C31H32N6O5/c1-40-28-15-20(2-4-26(28)36-8-10-37(11-9-36)29(39)18-38)25-16-24-30(33-19-34-31(24)35-25)21-3-5-27(22(14-21)17-32)42-23-6-12-41-13-7-23/h2-5,14-16,19,23,38H,6-13,18H2,1H3,(H,33,34,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.09n/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