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Found 1548 hits Enz. Inhib. hit(s) with Target = 'Inhibitor of nuclear factor kappa-B kinase subunit epsilon' AND taxid = 9606   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM277944
PNG
((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
Show InChI InChI=1S/C31H31F2N11O3/c32-31(33)17-44(29(45)28-36-19-38-41-28)8-7-26(31)47-25-6-1-20(13-21(25)14-34)27-35-18-37-30(40-27)39-22-2-4-23(5-3-22)42-9-11-43(12-10-42)24-15-46-16-24/h1-6,13,18-19,24,26H,7-12,15-17H2,(H,36,38,41)(H,35,37,39,40)/t26-/m0/s1
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278268
PNG
(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
Show InChI InChI=1S/C32H35FN10O2/c1-19-14-24(5-6-25(19)21-8-11-42(3)12-9-21)38-32-36-18-35-29(39-32)22-4-7-27(23(15-22)16-34)45-28-10-13-43(17-26(28)33)31(44)30-37-20(2)40-41-30/h4-7,14-15,18,21,26,28H,8-13,17H2,1-3H3,(H,37,40,41)(H,35,36,38,39)/t26-,28+/m1/s1
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278275
PNG
(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
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
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278276
PNG
(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
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
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278278
PNG
(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
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
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278279
PNG
(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
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
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278007
PNG
(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
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
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278286
PNG
(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
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
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278293
PNG
(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
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
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278038
PNG
(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
Show InChI InChI=1S/C32H33F2N11O3/c1-20-14-43(25-15-47-16-25)10-11-45(20)24-5-3-23(4-6-24)40-31-38-18-36-28(41-31)21-2-7-26(22(12-21)13-35)48-27-8-9-44(17-32(27,33)34)30(46)29-37-19-39-42-29/h2-7,12,18-20,25,27H,8-11,14-17H2,1H3,(H,37,39,42)(H,36,38,40,41)/t20-,27-/m0/s1
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278039
PNG
(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
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
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278079
PNG
((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
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
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278080
PNG
((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
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
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278081
PNG
((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
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
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278082
PNG
((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
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
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278083
PNG
(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
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
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278084
PNG
(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
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
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278103
PNG
(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
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
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n/an/a 0n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276896
PNG
(US10072001, 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)
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n/an/a 0.290n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276969
PNG
(US10072001, 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
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
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n/an/a 0.481n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276965
PNG
(US10072001, 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)
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n/an/a 0.687n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276877
PNG
(US10072001, 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)
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n/an/a 0.710n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276879
PNG
(US10072001, 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)
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n/an/a 0.770n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276868
PNG
(US10072001, 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)
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM277059
PNG
(US10072001, 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)
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n/an/a 0.815n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM277037
PNG
(US10072001, 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)
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n/an/a 0.851n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM144137
PNG
(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)
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n/an/a 1n/an/an/an/a7.530



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))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of IKKi


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM277023
PNG
(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)
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n/an/a 1.03n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276921
PNG
(US10072001, Example 212)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N
Show InChI InChI=1S/C28H29N7O2/c1-34-10-12-35(13-11-34)22-5-2-19(3-6-22)27-32-26-25(30-18-31-28(26)33-27)20-4-7-24(21(16-20)17-29)37-23-8-14-36-15-9-23/h2-7,16,18,23H,8-15H2,1H3,(H,30,31,32,33)
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n/an/a 1.08n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276985
PNG
(US10072001, Example 161)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N
Show InChI InChI=1S/C32H33N7O4/c1-37-12-14-39(15-13-37)32(42)22-4-2-21(3-5-22)27-17-26-30(34-20-35-31(26)36-27)23-6-7-28(24(16-23)18-33)43-25-8-10-38(11-9-25)29(41)19-40/h2-7,16-17,20,25,40H,8-15,19H2,1H3,(H,34,35,36)
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n/an/a 1.12n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276929
PNG
(US10072001, Example 306)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N
Show InChI InChI=1S/C29H30N6O2/c1-34-12-14-35(15-13-34)23-5-2-20(3-6-23)28-32-27-25(8-11-31-29(27)33-28)21-4-7-26(22(18-21)19-30)37-24-9-16-36-17-10-24/h2-8,11,18,24H,9-10,12-17H2,1H3,(H,31,32,33)
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n/an/a 1.21n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276943
PNG
(US10072001, Example 119)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(cc12)-c1cccc(Cn2ccnc2)c1
Show InChI InChI=1S/C28H24N6O2/c29-15-22-13-21(4-5-26(22)36-23-6-10-35-11-7-23)27-24-14-25(33-28(24)32-17-31-27)20-3-1-2-19(12-20)16-34-9-8-30-18-34/h1-5,8-9,12-14,17-18,23H,6-7,10-11,16H2,(H,31,32,33)
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n/an/a 1.22n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276823
PNG
(US10072001, Example 9)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1cnn(c1)C1CNC1
Show InChI InChI=1S/C25H24N6O2/c26-11-17-9-16(1-2-24(17)33-20-4-7-32-8-5-20)21-3-6-28-25-22(21)10-23(30-25)18-12-29-31(15-18)19-13-27-14-19/h1-3,6,9-10,12,15,19-20,27H,4-5,7-8,13-14H2,(H,28,30)
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n/an/a 1.41n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276981
PNG
(US10072001, 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)
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n/an/a 1.43n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276999
PNG
(US10072001, Example 176)
Show SMILES OCC(=O)N1CCC(Oc2cnc(cc2C#N)-c2ccnc3[nH]c(cc23)-c2ccc(cc2)N2CCN(CC2)C2COC2)C(F)(F)C1
Show InChI InChI=1S/C33H33F2N7O4/c34-33(35)20-42(31(44)17-43)8-6-30(33)46-29-16-38-28(13-22(29)15-36)25-5-7-37-32-26(25)14-27(39-32)21-1-3-23(4-2-21)40-9-11-41(12-10-40)24-18-45-19-24/h1-5,7,13-14,16,24,30,43H,6,8-12,17-20H2,(H,37,39)
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM277029
PNG
(US10072001, 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)
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n/an/a 1.48n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276816
PNG
(US10072001, Example 2)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C30H30N4O3/c31-19-24-17-23(5-6-29(24)37-25-8-13-35-14-9-25)26-7-10-32-30-27(26)18-28(33-30)22-3-1-21(2-4-22)20-34-11-15-36-16-12-34/h1-7,10,17-18,25H,8-9,11-16,20H2,(H,32,33)
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276824
PNG
(US10072001, Example 10)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C27H28N6O2/c28-15-19-13-18(1-2-26(19)35-22-6-11-34-12-7-22)23-5-10-30-27-24(23)14-25(32-27)20-16-31-33(17-20)21-3-8-29-9-4-21/h1-2,5,10,13-14,16-17,21-22,29H,3-4,6-9,11-12H2,(H,30,32)
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n/an/a 1.74n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM277064
PNG
(US10072001, Example 256)
Show SMILES CC1CN(CCN1CCF)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N
Show InChI InChI=1S/C32H35FN8O3/c1-21-18-41(15-14-39(21)13-10-33)25-5-2-22(3-6-25)31-37-30-29(35-20-36-32(30)38-31)23-4-7-27(24(16-23)17-34)44-26-8-11-40(12-9-26)28(43)19-42/h2-7,16,20-21,26,42H,8-15,18-19H2,1H3,(H,35,36,37,38)
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM277034
PNG
(US10072001, Example 226)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(cc12)-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C30H31N5O3/c31-19-23-17-22(5-8-28(23)38-25-9-14-36-15-10-25)29-26-18-27(34-30(26)33-20-32-29)21-3-6-24(7-4-21)37-16-13-35-11-1-2-12-35/h3-8,17-18,20,25H,1-2,9-16H2,(H,32,33,34)
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276987
PNG
(US10072001, Example 163)
Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(=O)NC1COC1
Show InChI InChI=1S/C30H28N6O5/c31-13-21-11-20(5-6-26(21)41-23-7-9-36(10-8-23)27(38)14-37)28-24-12-25(35-29(24)33-17-32-28)18-1-3-19(4-2-18)30(39)34-22-15-40-16-22/h1-6,11-12,17,22-23,37H,7-10,14-16H2,(H,34,39)(H,32,33,35)
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM277010
PNG
(US10072001, Example 187)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N
Show InChI InChI=1S/C30H30N6O3/c1-35-10-12-36(13-11-35)30(37)21-4-2-20(3-5-21)26-17-25-28(32-19-33-29(25)34-26)22-6-7-27(23(16-22)18-31)39-24-8-14-38-15-9-24/h2-7,16-17,19,24H,8-15H2,1H3,(H,32,33,34)
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM144220
PNG
(US8969335, A45)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CCC3CCNCC3)c2)n1
Show InChI InChI=1S/C26H31N7O2/c27-16-21-15-20(1-2-25(21)35-23-7-13-34-14-8-23)24-5-11-29-26(32-24)31-22-17-30-33(18-22)12-6-19-3-9-28-10-4-19/h1-2,5,11,15,17-19,23,28H,3-4,6-10,12-14H2,(H,29,31,32)
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Similars

US Patent
n/an/a 2n/an/an/an/a7.530



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))
BDBM277041
PNG
(US10072001, Example 233)
Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C31H33N7O4/c32-18-23-17-22(5-8-26(23)42-25-9-13-38(14-10-25)27(40)19-39)28-29-31(34-20-33-28)36-30(35-29)21-3-6-24(7-4-21)41-16-15-37-11-1-2-12-37/h3-8,17,20,25,39H,1-2,9-16,19H2,(H,33,34,35,36)
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM277076
PNG
(US10072001, Example 268)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)C(F)F)c(c1)C#N
Show InChI InChI=1S/C30H30F2N8O2/c1-38-12-14-39(15-13-38)22-5-2-19(3-6-22)28-36-26-25(34-18-35-29(26)37-28)20-4-7-24(21(16-20)17-33)42-23-8-10-40(11-9-23)30(41)27(31)32/h2-7,16,18,23,27H,8-15H2,1H3,(H,34,35,36,37)
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276973
PNG
(US10072001, Example 149)
Show SMILES CC(C)(O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(O[C@@H]2CCN(C2)C(=O)CO)c(c1)C#N
Show InChI InChI=1S/C29H28N4O4/c1-29(2,36)21-6-3-18(4-7-21)25-14-24-23(9-11-31-28(24)32-25)19-5-8-26(20(13-19)15-30)37-22-10-12-33(16-22)27(35)17-34/h3-9,11,13-14,22,34,36H,10,12,16-17H2,1-2H3,(H,31,32)/t22-/m1/s1
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276880
PNG
(US10072001, Example 66)
Show SMILES CN(C)Cc1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N
Show InChI InChI=1S/C28H28N4O2/c1-32(2)18-19-4-3-5-21(14-19)26-16-25-24(8-11-30-28(25)31-26)20-6-7-27(22(15-20)17-29)34-23-9-12-33-13-10-23/h3-8,11,14-16,23H,9-10,12-13,18H2,1-2H3,(H,30,31)
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276984
PNG
(US10072001, Example 160)
Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C31H30N6O5/c32-17-23-15-22(5-6-27(23)42-24-7-9-36(10-8-24)28(39)18-38)29-25-16-26(35-30(25)34-19-33-29)20-1-3-21(4-2-20)31(40)37-11-13-41-14-12-37/h1-6,15-16,19,24,38H,7-14,18H2,(H,33,34,35)
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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)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276982
PNG
(US10072001, Example 158)
Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(N2CCOCC2)c(F)c1
Show InChI InChI=1S/C30H29FN6O4/c31-24-14-19(1-3-26(24)36-9-11-40-12-10-36)25-15-23-29(33-18-34-30(23)35-25)20-2-4-27(21(13-20)16-32)41-22-5-7-37(8-6-22)28(39)17-38/h1-4,13-15,18,22,38H,5-12,17H2,(H,33,34,35)
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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)

More data for this
Ligand-Target Pair
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