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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 = 'BDBM276871'   
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))
BDBM276871
PNG
(US10072001, Example 57 | US10259811, Example 57)
Show SMILES O=C(CC#N)N1CCN(CC1)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N
Show InChI InChI=1S/C32H30N6O3/c33-11-7-31(39)38-15-13-37(14-16-38)25-4-1-22(2-5-25)29-20-28-27(8-12-35-32(28)36-29)23-3-6-30(24(19-23)21-34)41-26-9-17-40-18-10-26/h1-6,8,12,19-20,26H,7,9-10,13-18H2,(H,35,36)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.46n/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))
BDBM276871
PNG
(US10072001, Example 57 | US10259811, Example 57)
Show SMILES O=C(CC#N)N1CCN(CC1)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N
Show InChI InChI=1S/C32H30N6O3/c33-11-7-31(39)38-15-13-37(14-16-38)25-4-1-22(2-5-25)29-20-28-27(8-12-35-32(28)36-29)23-3-6-30(24(19-23)21-34)41-26-9-17-40-18-10-26/h1-6,8,12,19-20,26H,7,9-10,13-18H2,(H,35,36)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.46n/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