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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 = 'BDBM277063'   
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))
BDBM277063
PNG
(US10072001, Example 255 | US10259811, Example 255)
Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)C1CCN(CC(F)F)CC1
Show InChI InChI=1S/C32H33F2N7O3/c33-27(34)17-40-11-7-21(8-12-40)20-1-3-22(4-2-20)31-38-30-29(36-19-37-32(30)39-31)23-5-6-26(24(15-23)16-35)44-25-9-13-41(14-10-25)28(43)18-42/h1-6,15,19,21,25,27,42H,7-14,17-18H2,(H,36,37,38,39)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.53n/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))
BDBM277063
PNG
(US10072001, Example 255 | US10259811, Example 255)
Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)C1CCN(CC(F)F)CC1
Show InChI InChI=1S/C32H33F2N7O3/c33-27(34)17-40-11-7-21(8-12-40)20-1-3-22(4-2-20)31-38-30-29(36-19-37-32(30)39-31)23-5-6-26(24(15-23)16-35)44-25-9-13-41(14-10-25)28(43)18-42/h1-6,15,19,21,25,27,42H,7-14,17-18H2,(H,36,37,38,39)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.53n/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