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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 = 'BDBM277049'   
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))
BDBM277049
PNG
(US10072001, Example 241 | US10259811, Example 241)
Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(N2CCOCC2)c(F)c1
Show InChI InChI=1S/C29H28FN7O4/c30-22-14-19(1-3-23(22)36-9-11-40-12-10-36)28-34-27-26(32-17-33-29(27)35-28)18-2-4-24(20(13-18)15-31)41-21-5-7-37(8-6-21)25(39)16-38/h1-4,13-14,17,21,38H,5-12,16H2,(H,32,33,34,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.30n/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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM277049
PNG
(US10072001, Example 241 | US10259811, Example 241)
Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(N2CCOCC2)c(F)c1
Show InChI InChI=1S/C29H28FN7O4/c30-22-14-19(1-3-23(22)36-9-11-40-12-10-36)28-34-27-26(32-17-33-29(27)35-28)18-2-4-24(20(13-18)15-31)41-21-5-7-37(8-6-21)25(39)16-38/h1-4,13-14,17,21,38H,5-12,16H2,(H,32,33,34,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.64n/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