Compile Data Set for Download or QSAR

Found 4752 hits with Last Name = 'knox, jr.' and Initial = 'je'   

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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM276896 (US10072001, Example 82 | US10259811, Example 82) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N Show InChI InChI=1S/C30H31N5O2/c1-34-12-14-35(15-13-34)24-5-2-21(3-6-24)28-19-27-26(8-11-32-30(27)33-28)22-4-7-29(23(18-22)20-31)37-25-9-16-36-17-10-25/h2-8,11,18-19,25H,9-10,12-17H2,1H3,(H,32,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.290	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM276896 (US10072001, Example 82 | US10259811, Example 82) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N Show InChI InChI=1S/C30H31N5O2/c1-34-12-14-35(15-13-34)24-5-2-21(3-6-24)28-19-27-26(8-11-32-30(27)33-28)22-4-7-29(23(18-22)20-31)37-25-9-16-36-17-10-25/h2-8,11,18-19,25H,9-10,12-17H2,1H3,(H,32,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.290	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))	BDBM276969 (US10072001, Example 145 | US10259811, Example 145) Show SMILES COc1cc(ccc1N1CCN(CC1)C1COC1)-c1cc2c(ncnc2[nH]1)-c1ccc(O[C@H]2CCN(C[C@H]2F)C(=O)CO)c(c1)C#N |r| Show InChI InChI=1S/C34H36FN7O5/c1-45-31-13-21(2-4-28(31)41-10-8-40(9-11-41)24-18-46-19-24)27-14-25-33(37-20-38-34(25)39-27)22-3-5-29(23(12-22)15-36)47-30-6-7-42(16-26(30)35)32(44)17-43/h2-5,12-14,20,24,26,30,43H,6-11,16-19H2,1H3,(H,37,38,39)/t26-,30+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.481	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM276969 (US10072001, Example 145 | US10259811, Example 145) Show SMILES COc1cc(ccc1N1CCN(CC1)C1COC1)-c1cc2c(ncnc2[nH]1)-c1ccc(O[C@H]2CCN(C[C@H]2F)C(=O)CO)c(c1)C#N |r| Show InChI InChI=1S/C34H36FN7O5/c1-45-31-13-21(2-4-28(31)41-10-8-40(9-11-41)24-18-46-19-24)27-14-25-33(37-20-38-34(25)39-27)22-3-5-29(23(12-22)15-36)47-30-6-7-42(16-26(30)35)32(44)17-43/h2-5,12-14,20,24,26,30,43H,6-11,16-19H2,1H3,(H,37,38,39)/t26-,30+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.481	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))	BDBM277029 (US10072001, Example 220 | US10259811, Example 220) Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C30H30N6O4/c31-17-22-15-21(3-6-27(22)40-24-7-9-36(10-8-24)28(38)18-37)29-25-16-26(34-30(25)33-19-32-29)20-1-4-23(5-2-20)35-11-13-39-14-12-35/h1-6,15-16,19,24,37H,7-14,18H2,(H,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.503	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))	BDBM277029 (US10072001, Example 220 | US10259811, Example 220) Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C30H30N6O4/c31-17-22-15-21(3-6-27(22)40-24-7-9-36(10-8-24)28(38)18-37)29-25-16-26(34-30(25)33-19-32-29)20-1-4-23(5-2-20)35-11-13-39-14-12-35/h1-6,15-16,19,24,37H,7-14,18H2,(H,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.503	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))	BDBM277023 (US10072001, Example 200) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C28H28N6O2/c29-17-21-15-20(3-6-26(21)36-23-7-13-35-14-8-23)27-24-16-25(33-28(24)32-18-31-27)19-1-4-22(5-2-19)34-11-9-30-10-12-34/h1-6,15-16,18,23,30H,7-14H2,(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.644	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM276965 (US10072001, Example 141 | US10259811, Example 141) Show SMILES COc1cc(ccc1N1CCN(CC1)C1COC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2(F)F)C(=O)CO)c(c1)C#N Show InChI InChI=1S/C34H35F2N7O5/c1-46-29-13-21(2-4-27(29)42-10-8-41(9-11-42)24-17-47-18-24)26-14-25-32(38-20-39-33(25)40-26)22-3-5-28(23(12-22)15-37)48-30-6-7-43(31(45)16-44)19-34(30,35)36/h2-5,12-14,20,24,30,44H,6-11,16-19H2,1H3,(H,38,39,40)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.687	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))	BDBM276965 (US10072001, Example 141 | US10259811, Example 141) Show SMILES COc1cc(ccc1N1CCN(CC1)C1COC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2(F)F)C(=O)CO)c(c1)C#N Show InChI InChI=1S/C34H35F2N7O5/c1-46-29-13-21(2-4-27(29)42-10-8-41(9-11-42)24-17-47-18-24)26-14-25-32(38-20-39-33(25)40-26)22-3-5-28(23(12-22)15-37)48-30-6-7-43(31(45)16-44)19-34(30,35)36/h2-5,12-14,20,24,30,44H,6-11,16-19H2,1H3,(H,38,39,40)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.687	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM276877 (US10072001, Example 63 | US10259811, Example 63) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C31H32N4O3/c32-21-24-19-23(5-8-30(24)38-26-10-16-36-17-11-26)27-9-12-33-31-28(27)20-29(34-31)22-3-6-25(7-4-22)37-18-15-35-13-1-2-14-35/h3-9,12,19-20,26H,1-2,10-11,13-18H2,(H,33,34)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.710	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM276877 (US10072001, Example 63 | US10259811, Example 63) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C31H32N4O3/c32-21-24-19-23(5-8-30(24)38-26-10-16-36-17-11-26)27-9-12-33-31-28(27)20-29(34-31)22-3-6-25(7-4-22)37-18-15-35-13-1-2-14-35/h3-9,12,19-20,26H,1-2,10-11,13-18H2,(H,33,34)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.710	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))	BDBM276923 (US10072001, Example 214 | US10259811, Example 214) Show SMILES Cc1nc(-c2ccc(OC3CCOCC3)c(c2)C#N)c2nc([nH]c2n1)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C28H28N6O3/c1-18-30-25(20-4-7-24(21(16-20)17-29)37-23-8-12-35-13-9-23)26-28(31-18)33-27(32-26)19-2-5-22(6-3-19)34-10-14-36-15-11-34/h2-7,16,23H,8-15H2,1H3,(H,30,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.762	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))	BDBM276965 (US10072001, Example 141 | US10259811, Example 141) Show SMILES COc1cc(ccc1N1CCN(CC1)C1COC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2(F)F)C(=O)CO)c(c1)C#N Show InChI InChI=1S/C34H35F2N7O5/c1-46-29-13-21(2-4-27(29)42-10-8-41(9-11-42)24-17-47-18-24)26-14-25-32(38-20-39-33(25)40-26)22-3-5-28(23(12-22)15-37)48-30-6-7-43(31(45)16-44)19-34(30,35)36/h2-5,12-14,20,24,30,44H,6-11,16-19H2,1H3,(H,38,39,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.763	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))	BDBM276965 (US10072001, Example 141 | US10259811, Example 141) Show SMILES COc1cc(ccc1N1CCN(CC1)C1COC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2(F)F)C(=O)CO)c(c1)C#N Show InChI InChI=1S/C34H35F2N7O5/c1-46-29-13-21(2-4-27(29)42-10-8-41(9-11-42)24-17-47-18-24)26-14-25-32(38-20-39-33(25)40-26)22-3-5-28(23(12-22)15-37)48-30-6-7-43(31(45)16-44)19-34(30,35)36/h2-5,12-14,20,24,30,44H,6-11,16-19H2,1H3,(H,38,39,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.763	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))	BDBM276879 (US10072001, Example 65 | US10259811, Example 65) Show SMILES CN(C)Cc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N Show InChI InChI=1S/C28H28N4O2/c1-32(2)18-19-3-5-20(6-4-19)26-16-25-24(9-12-30-28(25)31-26)21-7-8-27(22(15-21)17-29)34-23-10-13-33-14-11-23/h3-9,12,15-16,23H,10-11,13-14,18H2,1-2H3,(H,30,31)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.770	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))	BDBM276879 (US10072001, Example 65 | US10259811, Example 65) Show SMILES CN(C)Cc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N Show InChI InChI=1S/C28H28N4O2/c1-32(2)18-19-3-5-20(6-4-19)26-16-25-24(9-12-30-28(25)31-26)21-7-8-27(22(15-21)17-29)34-23-10-13-33-14-11-23/h3-9,12,15-16,23H,10-11,13-14,18H2,1-2H3,(H,30,31)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.770	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM276868 (US10072001, Example 54 | US10259811, Example 54) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C29H29N5O2/c30-19-22-17-21(3-6-28(22)36-24-8-15-35-16-9-24)25-7-10-32-29-26(25)18-27(33-29)20-1-4-23(5-2-20)34-13-11-31-12-14-34/h1-7,10,17-18,24,31H,8-9,11-16H2,(H,32,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.810	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM276868 (US10072001, Example 54 | US10259811, Example 54) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C29H29N5O2/c30-19-22-17-21(3-6-28(22)36-24-8-15-35-16-9-24)25-7-10-32-29-26(25)18-27(33-29)20-1-4-23(5-2-20)34-13-11-31-12-14-34/h1-7,10,17-18,24,31H,8-9,11-16H2,(H,32,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.810	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))	BDBM277059 (US10072001, Example 251 | US10259811, Example 251) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N Show InChI InChI=1S/C30H32N8O3/c1-36-12-14-37(15-13-36)23-5-2-20(3-6-23)29-34-28-27(32-19-33-30(28)35-29)21-4-7-25(22(16-21)17-31)41-24-8-10-38(11-9-24)26(40)18-39/h2-7,16,19,24,39H,8-15,18H2,1H3,(H,32,33,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.815	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))	BDBM277059 (US10072001, Example 251 | US10259811, Example 251) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N Show InChI InChI=1S/C30H32N8O3/c1-36-12-14-37(15-13-36)23-5-2-20(3-6-23)29-34-28-27(32-19-33-30(28)35-29)21-4-7-25(22(16-21)17-31)41-24-8-10-38(11-9-24)26(40)18-39/h2-7,16,19,24,39H,8-15,18H2,1H3,(H,32,33,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.815	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))	BDBM276933 (US10072001, Example 109 | US10259811, Example 109) Show SMILES CC(C)(O)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N Show InChI InChI=1S/C27H26N4O3/c1-27(2,32)20-6-3-17(4-7-20)23-14-22-25(29-16-30-26(22)31-23)18-5-8-24(19(13-18)15-28)34-21-9-11-33-12-10-21/h3-8,13-14,16,21,32H,9-12H2,1-2H3,(H,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.821	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))	BDBM276933 (US10072001, Example 109 | US10259811, Example 109) Show SMILES CC(C)(O)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N Show InChI InChI=1S/C27H26N4O3/c1-27(2,32)20-6-3-17(4-7-20)23-14-22-25(29-16-30-26(22)31-23)18-5-8-24(19(13-18)15-28)34-21-9-11-33-12-10-21/h3-8,13-14,16,21,32H,9-12H2,1-2H3,(H,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.821	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))	BDBM276981 (US10072001, Example 157 | US10259811, Example 157) Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCN(CC1)C1COC1 Show InChI InChI=1S/C33H35N7O4/c34-17-24-15-23(3-6-30(24)44-27-7-9-40(10-8-27)31(42)18-41)32-28-16-29(37-33(28)36-21-35-32)22-1-4-25(5-2-22)38-11-13-39(14-12-38)26-19-43-20-26/h1-6,15-16,21,26-27,41H,7-14,18-20H2,(H,35,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.849	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))	BDBM276981 (US10072001, Example 157 | US10259811, Example 157) Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCN(CC1)C1COC1 Show InChI InChI=1S/C33H35N7O4/c34-17-24-15-23(3-6-30(24)44-27-7-9-40(10-8-27)31(42)18-41)32-28-16-29(37-33(28)36-21-35-32)22-1-4-25(5-2-22)38-11-13-39(14-12-38)26-19-43-20-26/h1-6,15-16,21,26-27,41H,7-14,18-20H2,(H,35,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.849	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM277037 (US10072001, Example 229 | US10259811, Example 229) Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C32H34N6O4/c33-19-24-17-23(5-8-29(24)42-26-9-13-38(14-10-26)30(40)20-39)31-27-18-28(36-32(27)35-21-34-31)22-3-6-25(7-4-22)41-16-15-37-11-1-2-12-37/h3-8,17-18,21,26,39H,1-2,9-16,20H2,(H,34,35,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.851	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM277037 (US10072001, Example 229 | US10259811, Example 229) Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C32H34N6O4/c33-19-24-17-23(5-8-29(24)42-26-9-13-38(14-10-26)30(40)20-39)31-27-18-28(36-32(27)35-21-34-31)22-3-6-25(7-4-22)41-16-15-37-11-1-2-12-37/h3-8,17-18,21,26,39H,1-2,9-16,20H2,(H,34,35,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.851	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))	BDBM276906 (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/a	n/a	0.870	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))	BDBM276906 (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/a	n/a	0.870	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))	BDBM277059 (US10072001, Example 251 | US10259811, Example 251) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N Show InChI InChI=1S/C30H32N8O3/c1-36-12-14-37(15-13-36)23-5-2-20(3-6-23)29-34-28-27(32-19-33-30(28)35-29)21-4-7-25(22(16-21)17-31)41-24-8-10-38(11-9-24)26(40)18-39/h2-7,16,19,24,39H,8-15,18H2,1H3,(H,32,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.883	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))	BDBM277059 (US10072001, Example 251 | US10259811, Example 251) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N Show InChI InChI=1S/C30H32N8O3/c1-36-12-14-37(15-13-36)23-5-2-20(3-6-23)29-34-28-27(32-19-33-30(28)35-29)21-4-7-25(22(16-21)17-31)41-24-8-10-38(11-9-24)26(40)18-39/h2-7,16,19,24,39H,8-15,18H2,1H3,(H,32,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.883	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))	BDBM276949 (US10072001, Example 125 | US10259811, Example 125) Show SMILES COc1cc(ccc1N1CCOCC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N Show InChI InChI=1S/C31H32N6O5/c1-40-28-15-20(2-4-26(28)36-10-12-41-13-11-36)25-16-24-30(33-19-34-31(24)35-25)21-3-5-27(22(14-21)17-32)42-23-6-8-37(9-7-23)29(39)18-38/h2-5,14-16,19,23,38H,6-13,18H2,1H3,(H,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	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))	BDBM276896 (US10072001, Example 82 | US10259811, Example 82) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N Show InChI InChI=1S/C30H31N5O2/c1-34-12-14-35(15-13-34)24-5-2-21(3-6-24)28-19-27-26(8-11-32-30(27)33-28)22-4-7-29(23(18-22)20-31)37-25-9-16-36-17-10-25/h2-8,11,18-19,25H,9-10,12-17H2,1H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	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))	BDBM276896 (US10072001, Example 82 | US10259811, Example 82) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N Show InChI InChI=1S/C30H31N5O2/c1-34-12-14-35(15-13-34)24-5-2-21(3-6-24)28-19-27-26(8-11-32-30(27)33-28)22-4-7-29(23(18-22)20-31)37-25-9-16-36-17-10-25/h2-8,11,18-19,25H,9-10,12-17H2,1H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	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))	BDBM276949 (US10072001, Example 125 | US10259811, Example 125) Show SMILES COc1cc(ccc1N1CCOCC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N Show InChI InChI=1S/C31H32N6O5/c1-40-28-15-20(2-4-26(28)36-10-12-41-13-11-36)25-16-24-30(33-19-34-31(24)35-25)21-3-5-27(22(14-21)17-32)42-23-6-8-37(9-7-23)29(39)18-38/h2-5,14-16,19,23,38H,6-13,18H2,1H3,(H,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	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))	BDBM377246 (US10259811, Example 264) Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)N1CCN(CC(F)F)CC1 Show InChI InChI=1S/C31H32F2N8O3/c32-26(33)17-39-11-13-40(14-12-39)23-4-1-20(2-5-23)30-37-29-28(35-19-36-31(29)38-30)21-3-6-25(22(15-21)16-34)44-24-7-9-41(10-8-24)27(43)18-42/h1-6,15,19,24,26,42H,7-14,17-18H2,(H,35,36,37,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.910	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))	BDBM277072 (US10072001, Example 264) Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCN(CC(F)F)CC1 Show InChI InChI=1S/C32H33F2N7O3/c33-29(34)18-39-11-13-40(14-12-39)24-4-1-21(2-5-24)27-16-26-31(36-20-37-32(26)38-27)22-3-6-28(23(15-22)17-35)44-25-7-9-41(10-8-25)30(43)19-42/h1-6,15-16,20,25,29,42H,7-14,18-19H2,(H,36,37,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.910	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278079 ((S)-2-((1-acetyl-3,3-difluoropiperidin-4-yl)oxy)-5...) Show SMILES CC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)C3CCNCC3)n2)C(F)(F)C1 |r| Show InChI InChI=1S/C28H29F2N7O2/c1-18(38)37-13-10-25(28(29,30)16-37)39-24-7-4-21(14-22(24)15-31)26-33-17-34-27(36-26)35-23-5-2-19(3-6-23)20-8-11-32-12-9-20/h2-7,14,17,20,25,32H,8-13,16H2,1H3,(H,33,34,35,36)/t25-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278080 ((S)-2-((1-acetyl-3,3-difluoropiperidin-4-yl)oxy)-5...) Show SMILES CN1CCC(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(C)=O)c(c2)C#N)cc1 |r| Show InChI InChI=1S/C29H31F2N7O2/c1-19(39)38-14-11-26(29(30,31)17-38)40-25-8-5-22(15-23(25)16-32)27-33-18-34-28(36-27)35-24-6-3-20(4-7-24)21-9-12-37(2)13-10-21/h3-8,15,18,21,26H,9-14,17H2,1-2H3,(H,33,34,35,36)/t26-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278081 ((S)-2-((3,3-difluoro-1-formylpiperidin-4-yl)oxy)-5...) Show SMILES Cc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C=O)c(c2)C#N)ccc1C1CCNCC1 |r| Show InChI InChI=1S/C28H29F2N7O2/c1-18-12-22(3-4-23(18)19-6-9-32-10-7-19)35-27-34-16-33-26(36-27)20-2-5-24(21(13-20)14-31)39-25-8-11-37(17-38)15-28(25,29)30/h2-5,12-13,16-17,19,25,32H,6-11,15H2,1H3,(H,33,34,35,36)/t25-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278082 ((S)-2-((3,3-difluoro-1-formylpiperidin-4-yl)oxy)-5...) Show SMILES CN1CCC(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C=O)c(c2)C#N)cc1C |r| Show InChI InChI=1S/C29H31F2N7O2/c1-19-13-23(4-5-24(19)20-7-10-37(2)11-8-20)35-28-34-17-33-27(36-28)21-3-6-25(22(14-21)15-32)40-26-9-12-38(18-39)16-29(26,30)31/h3-6,13-14,17-18,20,26H,7-12,16H2,1-2H3,(H,33,34,35,36)/t26-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278083 (2-(((3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-...) Show SMILES OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)C3CCN(CC3)C3COC3)n2)[C@H](F)C1 |r| Show InChI InChI=1S/C31H34FN7O4/c32-26-15-39(29(41)16-40)12-9-28(26)43-27-6-3-22(13-23(27)14-33)30-34-19-35-31(37-30)36-24-4-1-20(2-5-24)21-7-10-38(11-8-21)25-17-42-18-25/h1-6,13,19,21,25-26,28,40H,7-12,15-18H2,(H,34,35,36,37)/t26-,28+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278084 (2-(((3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-...) Show SMILES OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3CCOCC3)n2)[C@H](F)C1 |r| Show InChI InChI=1S/C32H37FN8O4/c33-27-19-41(30(43)20-42)10-7-29(27)45-28-6-1-22(17-23(28)18-34)31-35-21-36-32(38-31)37-24-2-4-25(5-3-24)39-11-13-40(14-12-39)26-8-15-44-16-9-26/h1-6,17,21,26-27,29,42H,7-16,19-20H2,(H,35,36,37,38)/t27-,29+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278103 (2-(((3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-...) Show SMILES COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)ccc1N1CCC(CC1)N1CCOCC1 |r| Show InChI InChI=1S/C33H39FN8O5/c1-45-30-17-24(3-4-27(30)41-9-6-25(7-10-41)40-12-14-46-15-13-40)38-33-37-21-36-32(39-33)22-2-5-28(23(16-22)18-35)47-29-8-11-42(19-26(29)34)31(44)20-43/h2-5,16-17,21,25-26,29,43H,6-15,19-20H2,1H3,(H,36,37,38,39)/t26-,29+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	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
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM277789 (5-(4-((4-(4-acetylpiperazin-1-yl)phenyl)amino)-1,3...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1 Show InChI InChI=1S/C27H29N7O3/c1-19(35)33-10-12-34(13-11-33)23-5-3-22(4-6-23)31-27-30-18-29-26(32-27)20-2-7-25(21(16-20)17-28)37-24-8-14-36-15-9-24/h2-7,16,18,24H,8-15H2,1H3,(H,29,30,31,32)	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))	BDBM276960 (US10072001, Example 136 | US10259811, Example 136) Show SMILES COc1cc(ccc1N1CCOCC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N Show InChI InChI=1S/C29H29N5O4/c1-35-27-15-19(2-4-25(27)34-8-12-37-13-9-34)24-16-23-28(31-18-32-29(23)33-24)20-3-5-26(21(14-20)17-30)38-22-6-10-36-11-7-22/h2-5,14-16,18,22H,6-13H2,1H3,(H,31,32,33)	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	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))	BDBM277933 (2-(((S)-3,3-difluoro-1-((S)-2- hydroxypropanoyl)pi...) Show SMILES C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1 |r| Show InChI InChI=1S/C31H34F2N8O4/c1-20(42)29(43)41-9-8-27(31(32,33)18-41)45-26-7-2-21(14-22(26)15-34)28-35-19-36-30(38-28)37-23-3-5-24(6-4-23)39-10-12-40(13-11-39)25-16-44-17-25/h2-7,14,19-20,25,27,42H,8-13,16-18H2,1H3,(H,35,36,37,38)/t20-,27-/m0/s1	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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM277944 ((S)-2-((3,3-difluoro-1-(4H-1,2,4-triazole-3-carbon...) Show SMILES FC1(F)CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1nnc[nH]1 |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278268 (2-(((3R,4S)-3-fluoro-1-(5-methyl-4H-1,2,4-triazole...) Show SMILES CN1CCC(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)c3nnc(C)[nH]3)c(c2)C#N)cc1C |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278275 (2-(((3R,4S)-3-fluoro-1-((S)-2-hydroxypropanoyl)pip...) Show SMILES C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCNCC3)n2)[C@H](F)C1 |r| Show InChI InChI=1S/C28H31FN8O3/c1-18(38)27(39)37-11-8-25(23(29)16-37)40-24-7-2-19(14-20(24)15-30)26-32-17-33-28(35-26)34-21-3-5-22(6-4-21)36-12-9-31-10-13-36/h2-7,14,17-18,23,25,31,38H,8-13,16H2,1H3,(H,32,33,34,35)/t18-,23+,25-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278276 (2-(((3R,4S)-3-fluoro-1-((S)-2-hydroxypropanoyl)pip...) Show SMILES C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(C)CC3)n2)[C@H](F)C1 |r| Show InChI InChI=1S/C29H33FN8O3/c1-19(39)28(40)38-10-9-26(24(30)17-38)41-25-8-3-20(15-21(25)16-31)27-32-18-33-29(35-27)34-22-4-6-23(7-5-22)37-13-11-36(2)12-14-37/h3-8,15,18-19,24,26,39H,9-14,17H2,1-2H3,(H,32,33,34,35)/t19-,24+,26-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	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

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