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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 = 'BDBM50448978'   
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))
BDBM50448978
PNG
(CHEMBL3125723)
Show SMILES COc1ccc(cc1)-c1nc2ncc(C(N)=S)c(NCCCNC(=O)C3CCCC3)c2[nH]1
Show InChI InChI=1S/C23H28N6O2S/c1-31-16-9-7-14(8-10-16)21-28-19-18(17(20(24)32)13-27-22(19)29-21)25-11-4-12-26-23(30)15-5-2-3-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H2,24,32)(H,26,30)(H2,25,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 46n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay


Bioorg Med Chem Lett 24: 1138-43 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.123
BindingDB Entry DOI: 10.7270/Q20V8F87
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50448978
PNG
(CHEMBL3125723)
Show SMILES COc1ccc(cc1)-c1nc2ncc(C(N)=S)c(NCCCNC(=O)C3CCCC3)c2[nH]1
Show InChI InChI=1S/C23H28N6O2S/c1-31-16-9-7-14(8-10-16)21-28-19-18(17(20(24)32)13-27-22(19)29-21)25-11-4-12-26-23(30)15-5-2-3-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H2,24,32)(H,26,30)(H2,25,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 165n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of TBK1 in HEK293 cells after 4.5 hrs by ISRE-luciferase reporter gene assay in presence of poly I:C


Bioorg Med Chem Lett 24: 1138-43 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.123
BindingDB Entry DOI: 10.7270/Q20V8F87
More data for this
Ligand-Target Pair