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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 = 'BDBM277933'   
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))
BDBM277933
PNG
(2-(((S)-3,3-difluoro-1-((S)-2- hydroxypropanoyl)pi...)
Show SMILES C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1 |r|
Show InChI InChI=1S/C31H34F2N8O4/c1-20(42)29(43)41-9-8-27(31(32,33)18-41)45-26-7-2-21(14-22(26)15-34)28-35-19-36-30(38-28)37-23-3-5-24(6-4-23)39-10-12-40(13-11-39)25-16-44-17-25/h2-7,14,19-20,25,27,42H,8-13,16-18H2,1H3,(H,35,36,37,38)/t20-,27-/m0/s1
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))
BDBM277933
PNG
(2-(((S)-3,3-difluoro-1-((S)-2- hydroxypropanoyl)pi...)
Show SMILES C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1 |r|
Show InChI InChI=1S/C31H34F2N8O4/c1-20(42)29(43)41-9-8-27(31(32,33)18-41)45-26-7-2-21(14-22(26)15-34)28-35-19-36-30(38-28)37-23-3-5-24(6-4-23)39-10-12-40(13-11-39)25-16-44-17-25/h2-7,14,19-20,25,27,42H,8-13,16-18H2,1H3,(H,35,36,37,38)/t20-,27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/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