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Patent code US10040781

Compile Data Set for Download or QSAR

Found 1854 hits of Enzyme Inhibition Constant Data   
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))
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
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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 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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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))
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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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))
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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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))
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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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))
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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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))
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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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))
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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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))
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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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))
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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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))
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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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM277933
PNG
(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
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
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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 US10040781 (2018)

More data for this
Ligand-Target Pair
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
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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 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
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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 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))
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))
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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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))
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))
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))
BDBM277796
PNG
(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)
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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 US10040781 (2018)

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


(Homo sapiens (human))
BDBM278087
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(CC3)C3CCOCC3)n2)[C@H](F)C1
Show InChI InChI=1S/C33H39FN8O4/c1-22(43)32(44)42-11-8-30(28(34)20-42)46-29-7-2-23(18-24(29)19-35)31-36-21-37-33(39-31)38-25-3-5-26(6-4-25)40-12-14-41(15-13-40)27-9-16-45-17-10-27/h2-7,18,21-22,27-28,30,43H,8-17,20H2,1H3,(H,36,37,38,39)/t22-,28+,30-/m0/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 US10040781 (2018)

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


(Homo sapiens (human))
BDBM278104
PNG
(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)ccc1N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C34H41FN8O5/c1-22(44)33(45)43-12-9-30(27(35)20-43)48-29-6-3-23(17-24(29)19-36)32-37-21-38-34(40-32)39-25-4-5-28(31(18-25)46-2)42-10-7-26(8-11-42)41-13-15-47-16-14-41/h3-6,17-18,21-22,26-27,30,44H,7-16,20H2,1-2H3,(H,37,38,39,40)/t22-,27+,30-/m0/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 US10040781 (2018)

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


(Homo sapiens (human))
BDBM278139
PNG
(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
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
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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 US10040781 (2018)

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


(Homo sapiens (human))
BDBM278170
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)ccc1N1CCN(CC1)C1COC1
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
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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 US10040781 (2018)

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


(Homo sapiens (human))
BDBM278173
PNG
(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
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
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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 US10040781 (2018)

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


(Homo sapiens (human))
BDBM278187
PNG
(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
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
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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 US10040781 (2018)

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


(Homo sapiens (human))
BDBM277923
PNG
(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
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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 US10040781 (2018)

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


(Homo sapiens (human))
BDBM277933
PNG
(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
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
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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 US10040781 (2018)

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


(Homo sapiens (human))
BDBM277942
PNG
((S)-2-((3,3-difluoro-1-(1H-pyrazole-5-carbonyl)pip...)
Show SMILES FC1(F)CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1ccn[nH]1
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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 US10040781 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM277929
PNG
(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)
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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 US10040781 (2018)

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


(Homo sapiens (human))
BDBM277929
PNG
(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)
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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 US10040781 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM278229
PNG
(2-(((3R,4S)-3-fluoro-1-(3-methyl-1H-1,2,4-triazole...)
Show SMILES Cc1n[nH]c(n1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1
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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 US10040781 (2018)

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


(Homo sapiens (human))
BDBM278267
PNG
(2-(((3R,4S)-3-fluoro-1-(2-methoxyacetyl)piperidin-...)
Show SMILES COCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(C4CCN(C)CC4)c(C)c3)n2)[C@H](F)C1
Show InChI InChI=1S/C31H36FN7O3/c1-20-14-24(5-6-25(20)21-8-11-38(2)12-9-21)36-31-35-19-34-30(37-31)22-4-7-27(23(15-22)16-33)42-28-10-13-39(17-26(28)32)29(40)18-41-3/h4-7,14-15,19,21,26,28H,8-13,17-18H2,1-3H3,(H,34,35,36,37)/t26-,28+/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 US10040781 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(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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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))
BDBM278277
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)[C@H](C)O)c(c2)C#N)ccc1N1CCN(C)C[C@@H]1C
Show InChI InChI=1S/C31H37FN8O4/c1-19-16-38(3)11-12-40(19)25-7-6-23(14-28(25)43-4)36-31-35-18-34-29(37-31)21-5-8-26(22(13-21)15-33)44-27-9-10-39(17-24(27)32)30(42)20(2)41/h5-8,13-14,18-20,24,27,41H,9-12,16-17H2,1-4H3,(H,34,35,36,37)/t19-,20-,24+,27-/m0/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 US10040781 (2018)

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


(Homo sapiens (human))
BDBM278019
PNG
(2-(((3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-...)
Show SMILES C[C@H]1CN(CCN1C1COC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)cc1
Show InChI InChI=1S/C31H35FN8O4/c1-20-14-38(10-11-40(20)25-17-43-18-25)24-5-3-23(4-6-24)36-31-35-19-34-30(37-31)21-2-7-27(22(12-21)13-33)44-28-8-9-39(15-26(28)32)29(42)16-41/h2-7,12,19-20,25-26,28,41H,8-11,14-18H2,1H3,(H,34,35,36,37)/t20-,26+,28-/m0/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 US10040781 (2018)

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


(Homo sapiens (human))
BDBM278298
PNG
(2-(((S)-3,3-difluoro-1-((R)-2-oxothiazolidine-4-ca...)
Show SMILES FC1(F)CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)[C@@H]1CSC(=O)N1
Show InChI InChI=1S/C32H33F2N9O4S/c33-32(34)18-43(29(44)25-17-48-31(45)39-25)8-7-27(32)47-26-6-1-20(13-21(26)14-35)28-36-19-37-30(40-28)38-22-2-4-23(5-3-22)41-9-11-42(12-10-41)24-15-46-16-24/h1-6,13,19,24-25,27H,7-12,15-18H2,(H,39,45)(H,36,37,38,40)/t25-,27-/m0/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 US10040781 (2018)

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


(Homo sapiens (human))
BDBM278040
PNG
(2-(((S)-3,3-difluoro-1-((S)-2-hydroxypropanoyl)pip...)
Show SMILES C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(C4COC4)[C@@H](C)C3)n2)C(F)(F)C1
Show InChI InChI=1S/C32H36F2N8O4/c1-20-15-40(11-12-42(20)26-16-45-17-26)25-6-4-24(5-7-25)38-31-37-19-36-29(39-31)22-3-8-27(23(13-22)14-35)46-28-9-10-41(18-32(28,33)34)30(44)21(2)43/h3-8,13,19-21,26,28,43H,9-12,15-18H2,1-2H3,(H,36,37,38,39)/t20-,21-,28-/m0/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 US10040781 (2018)

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


(Homo sapiens (human))
BDBM278042
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(C4COC4)[C@@H](C)C3)n2)[C@H](F)C1
Show InChI InChI=1S/C32H37FN8O4/c1-20-15-39(11-12-41(20)26-17-44-18-26)25-6-4-24(5-7-25)37-32-36-19-35-30(38-32)22-3-8-28(23(13-22)14-34)45-29-9-10-40(16-27(29)33)31(43)21(2)42/h3-8,13,19-21,26-27,29,42H,9-12,15-18H2,1-2H3,(H,35,36,37,38)/t20-,21-,27+,29-/m0/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 US10040781 (2018)

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


(Homo sapiens (human))
BDBM278323
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(Nc3ccc4CNCc4c3)n2)[C@H](F)C1
Show InChI InChI=1S/C26H26FN7O3/c1-15(35)25(36)34-7-6-23(21(27)13-34)37-22-5-3-16(8-18(22)10-28)24-30-14-31-26(33-24)32-20-4-2-17-11-29-12-19(17)9-20/h2-5,8-9,14-15,21,23,29,35H,6-7,11-13H2,1H3,(H,30,31,32,33)/t15-,21+,23-/m0/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 US10040781 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM277789
PNG
(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)
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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 US10040781 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM277790
PNG
(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)
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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 US10040781 (2018)

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


(Homo sapiens (human))
BDBM278178
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(O[C@H]4CCN(C)C[C@H]4F)cc3)n2)[C@H](F)C1
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
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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 US10040781 (2018)

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


(Homo sapiens (human))
BDBM277921
PNG
(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
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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 US10040781 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM277936
PNG
(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
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
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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 US10040781 (2018)

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


(Homo sapiens (human))
BDBM278271
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(C4CCN(CC4)C=O)c(C)c3)n2)[C@H](F)C1
Show InChI InChI=1S/C31H34FN7O4/c1-19-13-24(4-5-25(19)21-7-10-38(18-40)11-8-21)36-31-35-17-34-29(37-31)22-3-6-27(23(14-22)15-33)43-28-9-12-39(16-26(28)32)30(42)20(2)41/h3-6,13-14,17-18,20-21,26,28,41H,7-12,16H2,1-2H3,(H,34,35,36,37)/t20-,26+,28-/m0/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 US10040781 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM278006
PNG
(2-((3,3-difluoro-1-((S)-2-hydroxypropanoyl)piperid...)
Show SMILES C[C@H](O)C(=O)N1CCC(Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCO[C@@H](CO)C3)n2)C(F)(F)C1
Show InChI InChI=1S/C29H31F2N7O5/c1-18(40)27(41)38-9-8-25(29(30,31)16-38)43-24-7-2-19(12-20(24)13-32)26-33-17-34-28(36-26)35-21-3-5-22(6-4-21)37-10-11-42-23(14-37)15-39/h2-7,12,17-18,23,25,39-40H,8-11,14-16H2,1H3,(H,33,34,35,36)/t18-,23+,25?/m0/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 US10040781 (2018)

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


(Homo sapiens (human))
BDBM278009
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)N3CCO[C@@H](CO)C3)n2)[C@H](F)C1
Show InChI InChI=1S/C29H32FN7O5/c1-18(39)28(40)37-9-8-26(24(30)15-37)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)36-10-11-41-23(14-36)16-38/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
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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 US10040781 (2018)

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


(Homo sapiens (human))
BDBM278010
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-/m0/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 US10040781 (2018)

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


(Homo sapiens (human))
BDBM278338
PNG
((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
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
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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 US10040781 (2018)

More data for this
Ligand-Target Pair
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