Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase TBK1' and Ligand = 'BDBM277791'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM277791 (5-(4-((3-methoxy-4-(4-(oxetan-3-yl)piperazin-1-yl)...) Show SMILES COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1N1CCN(CC1)C1COC1 Show InChI InChI=1S/C29H33N7O4/c1-37-27-15-22(3-4-25(27)36-10-8-35(9-11-36)23-17-39-18-23)33-29-32-19-31-28(34-29)20-2-5-26(21(14-20)16-30)40-24-6-12-38-13-7-24/h2-5,14-15,19,23-24H,6-13,17-18H2,1H3,(H,31,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Rome La Sapienza					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				J Med Chem 50: 6554-69 (2007) BindingDB Entry DOI: 10.7270/Q2Q52RXT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM277791 (5-(4-((3-methoxy-4-(4-(oxetan-3-yl)piperazin-1-yl)...) Show SMILES COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1N1CCN(CC1)C1COC1 Show InChI InChI=1S/C29H33N7O4/c1-37-27-15-22(3-4-25(27)36-10-8-35(9-11-36)23-17-39-18-23)33-29-32-19-31-28(34-29)20-2-5-26(21(14-20)16-30)40-24-6-12-38-13-7-24/h2-5,14-15,19,23-24H,6-13,17-18H2,1H3,(H,31,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Rome La Sapienza					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				J Med Chem 50: 6554-69 (2007) BindingDB Entry DOI: 10.7270/Q2Q52RXT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM277791 (5-(4-((3-methoxy-4-(4-(oxetan-3-yl)piperazin-1-yl)...) Show SMILES COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1N1CCN(CC1)C1COC1 Show InChI InChI=1S/C29H33N7O4/c1-37-27-15-22(3-4-25(27)36-10-8-35(9-11-36)23-17-39-18-23)33-29-32-19-31-28(34-29)20-2-5-26(21(14-20)16-30)40-24-6-12-38-13-7-24/h2-5,14-15,19,23-24H,6-13,17-18H2,1H3,(H,31,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	7.0	n/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 US10040781 (2018) BindingDB Entry DOI: 10.7270/Q22V2J41
					More data for this Ligand-Target Pair