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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 = 'BDBM276973'   
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))
BDBM276973
PNG
(US10072001, Example 149 | US10259811, Example 149)
Show SMILES CC(C)(O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(O[C@@H]2CCN(C2)C(=O)CO)c(c1)C#N |r|
Show InChI InChI=1S/C29H28N4O4/c1-29(2,36)21-6-3-18(4-7-21)25-14-24-23(9-11-31-28(24)32-25)19-5-8-26(20(13-19)15-30)37-22-10-12-33(16-22)27(35)17-34/h3-9,11,13-14,22,34,36H,10,12,16-17H2,1-2H3,(H,31,32)/t22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.54n/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))
BDBM276973
PNG
(US10072001, Example 149 | US10259811, Example 149)
Show SMILES CC(C)(O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(O[C@@H]2CCN(C2)C(=O)CO)c(c1)C#N |r|
Show InChI InChI=1S/C29H28N4O4/c1-29(2,36)21-6-3-18(4-7-21)25-14-24-23(9-11-31-28(24)32-25)19-5-8-26(20(13-19)15-30)37-22-10-12-33(16-22)27(35)17-34/h3-9,11,13-14,22,34,36H,10,12,16-17H2,1-2H3,(H,31,32)/t22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.54n/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