Compile Data Set for Download or QSAR

Found 2512 hits of ic50 data for polymerid = 3207   

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))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.199	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IKKepsilon using casein as substrate by [gamma-33P]-ATP assay				Citation and Details Article DOI: 10.1016/j.bmc.2018.02.022 BindingDB Entry DOI: 10.7270/Q2DJ5KB8
					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))	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))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.439	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human IKKepsilon using casein as substrate by [gamma-33P]-ATP assay				Eur J Med Chem 161: 456-467 (2019) Article DOI: 10.1016/j.ejmech.2018.10.052 BindingDB Entry DOI: 10.7270/Q2W380MT
					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
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))	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))	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
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	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))	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))	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
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))	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
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))	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
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
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))	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))	BDBM278007 (2-(((3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-...) Show SMILES OC[C@H]1CN(CCO1)c1ccc(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/c29-23-14-36(26(39)16-38)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)35-9-10-40-22(13-35)15-37/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	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))	BDBM278038 (2-(((S)-3,3-difluoro-1-(4H-1,2,4-triazole-3-carbon...) Show SMILES C[C@H]1CN(CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(=O)c3nnc[nH]3)c(c2)C#N)cc1)C1COC1 |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))	BDBM278039 (2-(((S)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-...) Show SMILES C[C@H]1CN(CCN1C1COC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(=O)CO)c(c2)C#N)cc1 |r| Show InChI InChI=1S/C31H34F2N8O4/c1-20-14-39(10-11-41(20)25-16-44-17-25)24-5-3-23(4-6-24)37-30-36-19-35-29(38-30)21-2-7-26(22(12-21)13-34)45-27-8-9-40(28(43)15-42)18-31(27,32)33/h2-7,12,19-20,25,27,42H,8-11,14-18H2,1H3,(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	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))	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
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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278278 (5-(4-((4-((S)-2,4-dimethylpiperazin-1-yl)phenyl)am...) Show SMILES C[C@H]1CN(C)CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)cc1 |r| Show InChI InChI=1S/C29H33FN8O3/c1-19-15-36(2)11-12-38(19)23-6-4-22(5-7-23)34-29-33-18-32-28(35-29)20-3-8-25(21(13-20)14-31)41-26-9-10-37(16-24(26)30)27(40)17-39/h3-8,13,18-19,24,26,39H,9-12,15-17H2,1-2H3,(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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278279 (5-(4-((4-((S)-2,4-dimethylpiperazin-1-yl)phenyl)am...) Show SMILES C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(C)C[C@@H]3C)n2)[C@H](F)C1 |r| Show InChI InChI=1S/C30H35FN8O3/c1-19-16-37(3)12-13-39(19)24-7-5-23(6-8-24)35-30-34-18-33-28(36-30)21-4-9-26(22(14-21)15-32)42-27-10-11-38(17-25(27)31)29(41)20(2)40/h4-9,14,18-20,25,27,40H,10-13,16-17H2,1-3H3,(H,33,34,35,36)/t19-,20-,25+,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	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))	BDBM278286 (5-(4-((4-((S)-2,4-dimethylpiperazin-1-yl)-3-methox...) Show SMILES COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)ccc1N1CCN(C)C[C@@H]1C |r| Show InChI InChI=1S/C30H35FN8O4/c1-19-15-37(2)10-11-39(19)24-6-5-22(13-27(24)42-3)35-30-34-18-33-29(36-30)20-4-7-25(21(12-20)14-32)43-26-8-9-38(16-23(26)31)28(41)17-40/h4-7,12-13,18-19,23,26,40H,8-11,15-17H2,1-3H3,(H,33,34,35,36)/t19-,23+,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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278293 (2-(((3R,4S)-1-((S)-2,3-dihydroxypropanoyl)-3-fluor...) Show SMILES C[C@H]1CN(C)CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@@H](O)CO)c(c2)C#N)cc1 |r| Show InChI InChI=1S/C30H35FN8O4/c1-19-15-37(2)11-12-39(19)23-6-4-22(5-7-23)35-30-34-18-33-28(36-30)20-3-8-26(21(13-20)14-32)43-27-9-10-38(16-24(27)31)29(42)25(41)17-40/h3-8,13,18-19,24-25,27,40-41H,9-12,15-17H2,1-2H3,(H,33,34,35,36)/t19-,24+,25-,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	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))	BDBM144137 (US8969335, A74) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cc(ccn2)C2CCNCC2)c1 Show InChI InChI=1S/C27H29N5O2/c28-18-23-15-20(1-2-25(23)34-24-7-13-33-14-8-24)22-6-12-31-27(17-22)32-26-16-21(5-11-30-26)19-3-9-29-10-4-19/h1-2,5-6,11-12,15-17,19,24,29H,3-4,7-10,13-14H2,(H,30,31,32)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					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))	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))	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))	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

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