Compile Data Set for Download or QSAR

Found 1854 hits Enz. Inhib. hit(s) with all data for entry = 2659   

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))	BDBM277778 (5-(4-((3-methoxy-4-(4-methylpiperazin-1-yl)phenyl)...) Show SMILES COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C27H31N7O3/c1-33-9-11-34(12-10-33)23-5-4-21(16-25(23)35-2)31-27-30-18-29-26(32-27)19-3-6-24(20(15-19)17-28)37-22-7-13-36-14-8-22/h3-6,15-16,18,22H,7-14H2,1-2H3,(H,29,30,31,32)	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	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))	BDBM277785 (5-(4-((4-(4-(2,2-difluoroethyl)piperazin-1-yl)-3-m...) Show SMILES COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1N1CCN(CC(F)F)CC1 Show InChI InChI=1S/C28H31F2N7O3/c1-38-25-15-21(3-4-23(25)37-10-8-36(9-11-37)17-26(29)30)34-28-33-18-32-27(35-28)19-2-5-24(20(14-19)16-31)40-22-6-12-39-13-7-22/h2-5,14-15,18,22,26H,6-13,17H2,1H3,(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	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))	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))	BDBM277790 (5-(4-((4-(4-methylpiperazin-1-yl)phenyl)amino)-1,3...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1 Show InChI InChI=1S/C26H29N7O2/c1-32-10-12-33(13-11-32)22-5-3-21(4-6-22)30-26-29-18-28-25(31-26)19-2-7-24(20(16-19)17-27)35-23-8-14-34-15-9-23/h2-7,16,18,23H,8-15H2,1H3,(H,28,29,30,31)	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM277790 (5-(4-((4-(4-methylpiperazin-1-yl)phenyl)amino)-1,3...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1 Show InChI InChI=1S/C26H29N7O2/c1-32-10-12-33(13-11-32)22-5-3-21(4-6-22)30-26-29-18-28-25(31-26)19-2-7-24(20(16-19)17-27)35-23-8-14-34-15-9-23/h2-7,16,18,23H,8-15H2,1H3,(H,28,29,30,31)	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	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	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))	BDBM277794 (2-((1-(2-hydroxyacetyl)piperidin-4-yl)oxy)-5-(4-((...) Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1 Show InChI InChI=1S/C30H34N8O4/c31-16-22-15-21(1-6-27(22)42-26-7-9-38(10-8-26)28(40)17-39)29-32-20-33-30(35-29)34-23-2-4-24(5-3-23)36-11-13-37(14-12-36)25-18-41-19-25/h1-6,15,20,25-26,39H,7-14,17-19H2,(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	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))	BDBM277796 (5-(4-((4-(piperazin-1-yl)phenyl)amino)-1,3,5-triaz...) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc(Nc2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C25H27N7O2/c26-16-19-15-18(1-6-23(19)34-22-7-13-33-14-8-22)24-28-17-29-25(31-24)30-20-2-4-21(5-3-20)32-11-9-27-10-12-32/h1-6,15,17,22,27H,7-14H2,(H,28,29,30,31)	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM277796 (5-(4-((4-(piperazin-1-yl)phenyl)amino)-1,3,5-triaz...) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc(Nc2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C25H27N7O2/c26-16-19-15-18(1-6-23(19)34-22-7-13-33-14-8-22)24-28-17-29-25(31-24)30-20-2-4-21(5-3-20)32-11-9-27-10-12-32/h1-6,15,17,22,27H,7-14H2,(H,28,29,30,31)	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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278074 (2-(((3R,4S)-3-fluoro-1-formylpiperidin-4-yl)oxy)-5...) Show SMILES F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(N3CCNCC3)c(F)c2)n1)C=O |r| Show InChI InChI=1S/C26H26F2N8O2/c27-20-12-19(2-3-22(20)36-9-6-30-7-10-36)33-26-32-15-31-25(34-26)17-1-4-23(18(11-17)13-29)38-24-5-8-35(16-37)14-21(24)28/h1-4,11-12,15-16,21,24,30H,5-10,14H2,(H,31,32,33,34)/t21-,24+/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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM375573 (5-(4-((3-fluoro-4-(piperazin-1-yl)phenyl)amino)-1,...) Show SMILES Cc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCOC[C@H]3F)c(c2)C#N)ccc1N1CCNCC1 |r| Show InChI InChI=1S/C26H28FN7O2/c1-17-12-20(3-4-22(17)34-9-7-29-8-10-34)32-26-31-16-30-25(33-26)18-2-5-23(19(13-18)14-28)36-24-6-11-35-15-21(24)27/h2-5,12-13,16,21,24,29H,6-11,15H2,1H3,(H,30,31,32,33)/t21-,24+/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	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
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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278333 (2-(((3R,4S)-1-((S)-2,3-dihydroxypropanoyl)-3-fluor...) Show SMILES OC[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCOCC3)n2)[C@H](F)C1 |r| Show InChI InChI=1S/C28H30FN7O5/c29-22-15-36(27(39)23(38)16-37)8-7-25(22)41-24-6-1-18(13-19(24)14-30)26-31-17-32-28(34-26)33-20-2-4-21(5-3-20)35-9-11-40-12-10-35/h1-6,13,17,22-23,25,37-38H,7-12,15-16H2,(H,31,32,33,34)/t22-,23+,25+/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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278338 ((S)-2-((3,3-difluoro-1-(2-hydroxyacetyl)piperidin-...) Show SMILES COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(=O)CO)c(c2)C#N)ccc1N1CCN(CC1)C1COC1 |r| Show InChI InChI=1S/C31H34F2N8O5/c1-44-26-13-22(3-4-24(26)40-10-8-39(9-11-40)23-16-45-17-23)37-30-36-19-35-29(38-30)20-2-5-25(21(12-20)14-34)46-27-6-7-41(28(43)15-42)18-31(27,32)33/h2-5,12-13,19,23,27,42H,6-11,15-18H2,1H3,(H,35,36,37,38)/t27-/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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278339 (2-(((S)-3,3-difluoro-1-((S)-2-hydroxypropanoyl)pip...) Show SMILES COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(=O)[C@H](C)O)c(c2)C#N)ccc1N1CCN(CC1)C1COC1 |r| Show InChI InChI=1S/C32H36F2N8O5/c1-20(43)30(44)42-8-7-28(32(33,34)18-42)47-26-6-3-21(13-22(26)15-35)29-36-19-37-31(39-29)38-23-4-5-25(27(14-23)45-2)41-11-9-40(10-12-41)24-16-46-17-24/h3-6,13-14,19-20,24,28,43H,7-12,16-18H2,1-2H3,(H,36,37,38,39)/t20-,28-/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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM277923 (2-(((3R,4S)-3-fluoro-1-(1H-pyrazole-5-carbonyl)pip...) Show SMILES F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1ccn[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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM277924 (2-(((3R,4S)-3-fluoro-1-(1H-imidazole-5-carbonyl)pi...) Show SMILES F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1cnc[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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM277925 (2-(((3R,4S)-3-fluoro-1-(1-methyl-1H-1,2,3-triazole...) Show SMILES Cn1cc(nn1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1 |r| Show InChI InChI=1S/C32H34FN11O3/c1-41-17-27(39-40-41)31(45)44-9-8-29(26(33)16-44)47-28-7-2-21(14-22(28)15-34)30-35-20-36-32(38-30)37-23-3-5-24(6-4-23)42-10-12-43(13-11-42)25-18-46-19-25/h2-7,14,17,20,25-26,29H,8-13,16,18-19H2,1H3,(H,35,36,37,38)/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	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))	BDBM277929 (2-((3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl...) Show SMILES OCC(=O)N1CCC(Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1 Show InChI InChI=1S/C30H32F2N8O4/c31-30(32)18-40(27(42)15-41)8-7-26(30)44-25-6-1-20(13-21(25)14-33)28-34-19-35-29(37-28)36-22-2-4-23(5-3-22)38-9-11-39(12-10-38)24-16-43-17-24/h1-6,13,19,24,26,41H,7-12,15-18H2,(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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM277929 (2-((3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl...) Show SMILES OCC(=O)N1CCC(Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1 Show InChI InChI=1S/C30H32F2N8O4/c31-30(32)18-40(27(42)15-41)8-7-26(30)44-25-6-1-20(13-21(25)14-33)28-34-19-35-29(37-28)36-22-2-4-23(5-3-22)38-9-11-39(12-10-38)24-16-43-17-24/h1-6,13,19,24,26,41H,7-12,15-18H2,(H,34,35,36,37)	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	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))	BDBM277931 ((R)-2-((3,3-difluoro-1-(2- hydroxyacetyl)piperidin...) Show SMILES OCC(=O)N1CC[C@@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1 |r| Show InChI InChI=1S/C30H32F2N8O4/c31-30(32)18-40(27(42)15-41)8-7-26(30)44-25-6-1-20(13-21(25)14-33)28-34-19-35-29(37-28)36-22-2-4-23(5-3-22)38-9-11-39(12-10-38)24-16-43-17-24/h1-6,13,19,24,26,41H,7-12,15-18H2,(H,34,35,36,37)/t26-/m1/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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM277931 ((R)-2-((3,3-difluoro-1-(2- hydroxyacetyl)piperidin...) Show SMILES OCC(=O)N1CC[C@@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1 |r| Show InChI InChI=1S/C30H32F2N8O4/c31-30(32)18-40(27(42)15-41)8-7-26(30)44-25-6-1-20(13-21(25)14-33)28-34-19-35-29(37-28)36-22-2-4-23(5-3-22)38-9-11-39(12-10-38)24-16-43-17-24/h1-6,13,19,24,26,41H,7-12,15-18H2,(H,34,35,36,37)/t26-/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	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))	BDBM277932 (2-((3,3-difluoro-1-((S)-2-hydroxypropanoyl)piperid...) Show SMILES C[C@H](O)C(=O)N1CCC(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	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))	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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (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	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	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))	BDBM277936 (2-(((S)-3,3-difluoro-1-((R)-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+/m1/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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278171 (5-(4-((3-(difluoromethoxy)-4-(4-(oxetan-3-yl)piper...) Show SMILES OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(OC(F)F)c3)n2)[C@H](F)C1 |r| Show InChI InChI=1S/C31H33F3N8O5/c32-23-14-42(28(44)15-43)6-5-26(23)46-25-4-1-19(11-20(25)13-35)29-36-18-37-31(39-29)38-21-2-3-24(27(12-21)47-30(33)34)41-9-7-40(8-10-41)22-16-45-17-22/h1-4,11-12,18,22-23,26,30,43H,5-10,14-17H2,(H,36,37,38,39)/t23-,26+/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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278172 (2-(((3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-...) Show SMILES Cc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)ccc1N1CCN(CC1)C1COC1 |r| Show InChI InChI=1S/C31H35FN8O4/c1-20-12-23(3-4-26(20)39-10-8-38(9-11-39)24-17-43-18-24)36-31-35-19-34-30(37-31)21-2-5-27(22(13-21)14-33)44-28-6-7-40(15-25(28)32)29(42)16-41/h2-5,12-13,19,24-25,28,41H,6-11,15-18H2,1H3,(H,34,35,36,37)/t25-,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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278173 (5-(4-((3-(difluoromethoxy)-4-(4-(oxetan-3-yl)piper...) Show SMILES C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(OC(F)F)c3)n2)[C@H](F)C1 |r| Show InChI InChI=1S/C32H35F3N8O5/c1-19(44)30(45)43-7-6-27(24(33)15-43)47-26-5-2-20(12-21(26)14-36)29-37-18-38-32(40-29)39-22-3-4-25(28(13-22)48-31(34)35)42-10-8-41(9-11-42)23-16-46-17-23/h2-5,12-13,18-19,23-24,27,31,44H,6-11,15-17H2,1H3,(H,37,38,39,40)/t19-,24+,27-/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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278174 (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(N4CCN(CC4)C4COC4)c(C)c3)n2)[C@H](F)C1 |r| Show InChI InChI=1S/C32H37FN8O4/c1-20-13-24(4-5-27(20)40-11-9-39(10-12-40)25-17-44-18-25)37-32-36-19-35-30(38-32)22-3-6-28(23(14-22)15-34)45-29-7-8-41(16-26(29)33)31(43)21(2)42/h3-6,13-14,19,21,25-26,29,42H,7-12,16-18H2,1-2H3,(H,35,36,37,38)/t21-,26+,29-/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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278176 (2-(((3R,4S)-1-((S)-2,3-dihydroxypropanoyl)-3-fluor...) Show SMILES CN1CC[C@H](Oc2ccc(Nc3ncnc(n3)-c3ccc(O[C@H]4CCN(C[C@H]4F)C(=O)[C@@H](O)CO)c(c3)C#N)cc2)[C@H](F)C1 |r| Show InChI InChI=1S/C30H33F2N7O5/c1-38-10-8-26(22(31)14-38)43-21-5-3-20(4-6-21)36-30-35-17-34-28(37-30)18-2-7-25(19(12-18)13-33)44-27-9-11-39(15-23(27)32)29(42)24(41)16-40/h2-7,12,17,22-24,26-27,40-41H,8-11,14-16H2,1H3,(H,34,35,36,37)/t22-,23-,24+,26+,27+/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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278178 (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(O[C@H]4CCN(C)C[C@H]4F)cc3)n2)[C@H](F)C1 |r| Show InChI InChI=1S/C30H33F2N7O4/c1-18(40)29(41)39-12-10-27(24(32)16-39)43-25-8-3-19(13-20(25)14-33)28-34-17-35-30(37-28)36-21-4-6-22(7-5-21)42-26-9-11-38(2)15-23(26)31/h3-8,13,17-18,23-24,26-27,40H,9-12,15-16H2,1-2H3,(H,34,35,36,37)/t18-,23+,24+,26-,27-/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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278187 (2-(((3R,4S)-1-((S)-2,3-dihydroxypropanoyl)-3-fluor...) Show SMILES OC[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(F)c3)n2)[C@H](F)C1 |r| Show InChI InChI=1S/C31H34F2N8O5/c32-23-12-21(2-3-25(23)40-9-7-39(8-10-40)22-16-45-17-22)37-31-36-18-35-29(38-31)19-1-4-27(20(11-19)13-34)46-28-5-6-41(14-24(28)33)30(44)26(43)15-42/h1-4,11-12,18,22,24,26,28,42-43H,5-10,14-17H2,(H,35,36,37,38)/t24-,26+,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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM277921 (2-(((3R,4S)-3-fluoro-1-(1H-1,2,3-triazole-5-carbon...) Show SMILES F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1cnn[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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM277922 (2-(((3R,4S)-3-fluoro-1-(4H-1,2,4-triazole-3-carbon...) Show SMILES F[C@@H]1CN(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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278161 (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)N3CCOC[C@H]3CO)n2)[C@H](F)C1 |r| Show InChI InChI=1S/C29H32FN7O5/c1-18(39)28(40)36-9-8-26(24(30)14-36)42-25-7-2-19(12-20(25)13-31)27-32-17-33-29(35-27)34-21-3-5-22(6-4-21)37-10-11-41-16-23(37)15-38/h2-7,12,17-18,23-24,26,38-39H,8-11,14-16H2,1H3,(H,32,33,34,35)/t18-,23+,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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278162 (2-(((3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-...) Show SMILES OC[C@@H]1COCCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)cc1 |r| Show InChI InChI=1S/C28H30FN7O5/c29-23-13-35(26(39)15-38)8-7-25(23)41-24-6-1-18(11-19(24)12-30)27-31-17-32-28(34-27)33-20-2-4-21(5-3-20)36-9-10-40-16-22(36)14-37/h1-6,11,17,22-23,25,37-38H,7-10,13-16H2,(H,31,32,33,34)/t22-,23-,25+/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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278167 (2-(((3R,4S)-3-fluoro-1-((S)-2-hydroxypropanoyl)pip...) Show SMILES COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@H](C)O)c(c2)C#N)ccc1N1CCN(CC1)C1COC1 |r| Show InChI InChI=1S/C32H37FN8O5/c1-20(42)31(43)41-8-7-28(25(33)16-41)46-27-6-3-21(13-22(27)15-34)30-35-19-36-32(38-30)37-23-4-5-26(29(14-23)44-2)40-11-9-39(10-12-40)24-17-45-18-24/h3-6,13-14,19-20,24-25,28,42H,7-12,16-18H2,1-2H3,(H,35,36,37,38)/t20-,25+,28-/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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM277894 (2-(((S)-3,3-difluoro-1-((S)-5-oxopyrrolidine-2-car...) Show SMILES FC1(F)CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)C1CCC(=O)N1 |r| Show InChI InChI=1S/C33H35F2N9O4/c34-33(35)19-44(31(46)26-6-8-29(45)40-26)10-9-28(33)48-27-7-1-21(15-22(27)16-36)30-37-20-38-32(41-30)39-23-2-4-24(5-3-23)42-11-13-43(14-12-42)25-17-47-18-25/h1-5,7,15,20,25-26,28H,6,8-14,17-19H2,(H,40,45)(H,37,38,39,41)/t26?,28-/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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278170 (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)ccc1N1CCN(CC1)C1COC1 |r| Show InChI InChI=1S/C31H35FN8O5/c1-43-28-13-22(3-4-25(28)39-10-8-38(9-11-39)23-17-44-18-23)36-31-35-19-34-30(37-31)20-2-5-26(21(12-20)14-33)45-27-6-7-40(15-24(27)32)29(42)16-41/h2-5,12-13,19,23-24,27,41H,6-11,15-18H2,1H3,(H,34,35,36,37)/t24-,27+/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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278139 (5-(4-((1-(2,2-difluoroethyl)-1H-pyrazol-4-yl)amino...) Show SMILES OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cnn(CC(F)F)c3)n2)[C@H](F)C1 |r| Show InChI InChI=1S/C22H21F3N8O3/c23-16-9-32(20(35)11-34)4-3-18(16)36-17-2-1-13(5-14(17)6-26)21-27-12-28-22(31-21)30-15-7-29-33(8-15)10-19(24)25/h1-2,5,7-8,12,16,18-19,34H,3-4,9-11H2,(H,27,28,30,31)/t16-,18+/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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278141 (5-(4-((4-(1,4-oxazepan-4-yl)phenyl)amino)-1,3,5-tr...) Show SMILES C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCCOCC3)n2)[C@H](F)C1 |r| Show InChI InChI=1S/C29H32FN7O4/c1-19(38)28(39)37-11-9-26(24(30)17-37)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)36-10-2-13-40-14-12-36/h3-8,15,18-19,24,26,38H,2,9-14,17H2,1H3,(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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278149 (5-(4-((3-(difluoromethyl)-4-(4-(oxetan-3-yl)pipera...) Show SMILES C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(c3)C(F)F)n2)[C@H](F)C1 |r| Show InChI InChI=1S/C32H35F3N8O4/c1-19(44)31(45)43-7-6-28(25(33)15-43)47-27-5-2-20(12-21(27)14-36)30-37-18-38-32(40-30)39-22-3-4-26(24(13-22)29(34)35)42-10-8-41(9-11-42)23-16-46-17-23/h2-5,12-13,18-19,23,25,28-29,44H,6-11,15-17H2,1H3,(H,37,38,39,40)/t19-,25+,28-/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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278151 (2-(((3R,4S)-3-fluoro-1-(1H-1,2,3-triazole-5-carbon...) Show SMILES F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(N3CCN(CC3)C3COC3)c(F)c2)n1)C(=O)c1cnn[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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278119 (2-(((3R,4S)-1-(5-aminopyrazine-2-carbonyl)-3-fluor...) Show SMILES Nc1cnc(cn1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1 |r| Show InChI InChI=1S/C33H34FN11O3/c34-26-17-45(32(46)27-15-38-30(36)16-37-27)8-7-29(26)48-28-6-1-21(13-22(28)14-35)31-39-20-40-33(42-31)41-23-2-4-24(5-3-23)43-9-11-44(12-10-43)25-18-47-19-25/h1-6,13,15-16,20,25-26,29H,7-12,17-19H2,(H2,36,38)(H,39,40,41,42)/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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278120 (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)N3CC(C)(O)C3)n2)[C@H](F)C1 |r| Show InChI InChI=1S/C28H30FN7O4/c1-17(37)26(38)35-10-9-24(22(29)13-35)40-23-8-3-18(11-19(23)12-30)25-31-16-32-27(34-25)33-20-4-6-21(7-5-20)36-14-28(2,39)15-36/h3-8,11,16-17,22,24,37,39H,9-10,13-15H2,1-2H3,(H,31,32,33,34)/t17-,22+,24-/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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278124 (5-(4-((1,3-dimethyl-1H-indazol-6-yl)amino)-1,3,5-t...) Show SMILES Cc1nn(C)c2cc(Nc3ncnc(n3)-c3ccc(O[C@H]4CCN(C[C@H]4F)C(=O)CO)c(c3)C#N)ccc12 |r| Show InChI InChI=1S/C26H25FN8O3/c1-15-19-5-4-18(10-21(19)34(2)33-15)31-26-30-14-29-25(32-26)16-3-6-22(17(9-16)11-28)38-23-7-8-35(12-20(23)27)24(37)13-36/h3-6,9-10,14,20,23,36H,7-8,12-13H2,1-2H3,(H,29,30,31,32)/t20-,23+/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	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))	BDBM277854 (5-(4-((4-(1-methylpiperidin-4-yl)phenyl)amino)-1,3...) Show SMILES CN1CCC(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1 Show InChI InChI=1S/C27H30N6O2/c1-33-12-8-20(9-13-33)19-2-5-23(6-3-19)31-27-30-18-29-26(32-27)21-4-7-25(22(16-21)17-28)35-24-10-14-34-15-11-24/h2-7,16,18,20,24H,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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278393 (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)[C@H]3CCCN3)n2)[C@H](F)C1 |r| Show InChI InChI=1S/C28H30FN7O3/c1-17(37)27(38)36-12-10-25(22(29)15-36)39-24-9-6-19(13-20(24)14-30)26-32-16-33-28(35-26)34-21-7-4-18(5-8-21)23-3-2-11-31-23/h4-9,13,16-17,22-23,25,31,37H,2-3,10-12,15H2,1H3,(H,32,33,34,35)/t17-,22+,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	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278396 (2-(((3R,4S)-3-fluoro-1-((S)-2-hydroxy-3-methoxypro...) Show SMILES COC[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1 |r| Show InChI InChI=1S/C32H37FN8O5/c1-44-19-27(42)31(43)41-9-8-29(26(33)16-41)46-28-7-2-21(14-22(28)15-34)30-35-20-36-32(38-30)37-23-3-5-24(6-4-23)39-10-12-40(13-11-39)25-17-45-18-25/h2-7,14,20,25-27,29,42H,8-13,16-19H2,1H3,(H,35,36,37,38)/t26-,27+,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	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

Displayed 1 to 50 (of 1854 total )  |  Next  |  Last  >>

Jump to: