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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 = 'BDBM278393'   
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))
BDBM278393
PNG
(2-(((3R,4S)-3-fluoro-1-((S)-2-hydroxypropanoyl)pip...)
Show SMILES C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)[C@H]3CCCN3)n2)[C@H](F)C1 |r|
Show InChI InChI=1S/C28H30FN7O3/c1-17(37)27(38)36-12-10-25(22(29)15-36)39-24-9-6-19(13-20(24)14-30)26-32-16-33-28(35-26)34-21-7-4-18(5-8-21)23-3-2-11-31-23/h4-9,13,16-17,22-23,25,31,37H,2-3,10-12,15H2,1H3,(H,32,33,34,35)/t17-,22+,23+,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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))
BDBM278393
PNG
(2-(((3R,4S)-3-fluoro-1-((S)-2-hydroxypropanoyl)pip...)
Show SMILES C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)[C@H]3CCCN3)n2)[C@H](F)C1 |r|
Show InChI InChI=1S/C28H30FN7O3/c1-17(37)27(38)36-12-10-25(22(29)15-36)39-24-9-6-19(13-20(24)14-30)26-32-16-33-28(35-26)34-21-7-4-18(5-8-21)23-3-2-11-31-23/h4-9,13,16-17,22-23,25,31,37H,2-3,10-12,15H2,1H3,(H,32,33,34,35)/t17-,22+,23+,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.00E+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