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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 = 'BDBM276906'   
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))
BDBM276906
PNG
(US10072001, Example 105 | US10259811, Example 105)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCN(CC1)C1COC1
Show InChI InChI=1S/C31H32N6O3/c32-17-23-15-22(3-6-29(23)40-26-7-13-38-14-8-26)30-27-16-28(35-31(27)34-20-33-30)21-1-4-24(5-2-21)36-9-11-37(12-10-36)25-18-39-19-25/h1-6,15-16,20,25-26H,7-14,18-19H2,(H,33,34,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.870n/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))
BDBM276906
PNG
(US10072001, Example 105 | US10259811, Example 105)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCN(CC1)C1COC1
Show InChI InChI=1S/C31H32N6O3/c32-17-23-15-22(3-6-29(23)40-26-7-13-38-14-8-26)30-27-16-28(35-31(27)34-20-33-30)21-1-4-24(5-2-21)36-9-11-37(12-10-36)25-18-39-19-25/h1-6,15-16,20,25-26H,7-14,18-19H2,(H,33,34,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.870n/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