null

SMILES: CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)C(F)F)c(c1)C#N

InChI Key: InChIKey=WJAQTTIMBYEQHZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 277076   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM277076 (US10072001, Example 268 | US10259811, Example 268) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)C(F)F)c(c1)C#N Show InChI InChI=1S/C30H30F2N8O2/c1-38-12-14-39(15-13-38)22-5-2-19(3-6-22)28-36-26-25(34-18-35-29(26)37-28)20-4-7-24(21(16-20)17-33)42-23-8-10-40(11-9-23)30(41)27(31)32/h2-7,16,18,23,27H,8-15H2,1H3,(H,34,35,36,37)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.25	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 US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM277076 (US10072001, Example 268 | US10259811, Example 268) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)C(F)F)c(c1)C#N Show InChI InChI=1S/C30H30F2N8O2/c1-38-12-14-39(15-13-38)22-5-2-19(3-6-22)28-36-26-25(34-18-35-29(26)37-28)20-4-7-24(21(16-20)17-33)42-23-8-10-40(11-9-23)30(41)27(31)32/h2-7,16,18,23,27H,8-15H2,1H3,(H,34,35,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.92	n/a	n/a	n/a	n/a	n/a	n/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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM277076 (US10072001, Example 268 | US10259811, Example 268) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)C(F)F)c(c1)C#N Show InChI InChI=1S/C30H30F2N8O2/c1-38-12-14-39(15-13-38)22-5-2-19(3-6-22)28-36-26-25(34-18-35-29(26)37-28)20-4-7-24(21(16-20)17-33)42-23-8-10-40(11-9-23)30(41)27(31)32/h2-7,16,18,23,27H,8-15H2,1H3,(H,34,35,36,37)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.25	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM277076 (US10072001, Example 268 | US10259811, Example 268) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)C(F)F)c(c1)C#N Show InChI InChI=1S/C30H30F2N8O2/c1-38-12-14-39(15-13-38)22-5-2-19(3-6-22)28-36-26-25(34-18-35-29(26)37-28)20-4-7-24(21(16-20)17-33)42-23-8-10-40(11-9-23)30(41)27(31)32/h2-7,16,18,23,27H,8-15H2,1H3,(H,34,35,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.92	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 US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair