BindingDB logo
myBDB logout

Patent code US10253019

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))
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=1/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-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/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 US10253019 (2019)

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=1/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+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/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 US10253019 (2019)

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=1/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+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/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 US10253019 (2019)

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=1/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+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/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 US10253019 (2019)

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=1/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-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/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 US10253019 (2019)

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=1/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-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/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 US10253019 (2019)

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=1/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-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/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 US10253019 (2019)

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=1/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-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/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 US10253019 (2019)

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=1/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-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/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 US10253019 (2019)

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=1/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-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/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 US10253019 (2019)

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=1/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-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/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 US10253019 (2019)

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=1/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-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/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 US10253019 (2019)

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=1/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-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/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 US10253019 (2019)

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


(Homo sapiens (Human))
BDBM278015
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)C3COC3)n2)[C@H](F)C1
Show InChI InChI=1/C30H33FN8O4/c31-25-15-39(28(41)16-40)8-7-27(25)43-26-6-1-20(13-21(26)14-32)29-33-19-34-30(36-29)35-22-2-4-23(5-3-22)37-9-11-38(12-10-37)24-17-42-18-24/h1-6,13,19,24-25,27,40H,7-12,15-18H2,(H,33,34,35,36)/t25-,27+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/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 US10253019 (2019)

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=1/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-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/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 US10253019 (2019)

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=1/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-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/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 US10253019 (2019)

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=1/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-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/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 US10253019 (2019)

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
Show InChI InChI=1/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-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/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 US10253019 (2019)

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=1/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+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/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 US10253019 (2019)

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


(Homo sapiens (Human))
BDBM278018
PNG
(2-(((3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-...)
Show SMILES OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(F)c3)n2)[C@H](F)C1
Show InChI InChI=1/C30H32F2N8O4/c31-23-12-21(2-3-25(23)39-9-7-38(8-10-39)22-16-43-17-22)36-30-35-18-34-29(37-30)19-1-4-26(20(11-19)13-33)44-27-5-6-40(14-24(27)32)28(42)15-41/h1-4,11-12,18,22,24,27,41H,5-10,14-17H2,(H,34,35,36,37)/t24-,27+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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


(Homo sapiens (Human))
BDBM278020
PNG
(2-(((3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-...)
Show SMILES C[C@@H]1CN(CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)cc1)C1COC1
Show InChI InChI=1/C31H35FN8O4/c1-20-14-38(25-17-43-18-25)10-11-40(20)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+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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


(Homo sapiens (Human))
BDBM278022
PNG
(2-(((3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-...)
Show SMILES C[C@H]1CN(CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)cc1)C1COC1
Show InChI InChI=1/C31H35FN8O4/c1-20-14-38(25-17-43-18-25)10-11-40(20)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-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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


(Homo sapiens (Human))
BDBM278295
PNG
(5-(4-((3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)ami...)
Show SMILES C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc4OCCNc4c3)n2)[C@H](F)C1
Show InChI InChI=1/C26H26FN7O4/c1-15(35)25(36)34-8-6-22(19(27)13-34)38-21-4-2-16(10-17(21)12-28)24-30-14-31-26(33-24)32-18-3-5-23-20(11-18)29-7-9-37-23/h2-5,10-11,14-15,19,22,29,35H,6-9,13H2,1H3,(H,30,31,32,33)/t15-,19+,22-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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=1/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-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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


(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)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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


(Homo sapiens (Human))
BDBM278074
PNG
(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
Show InChI InChI=1/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+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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


(Homo sapiens (Human))
BDBM277802
PNG
(2-((tetrahydro-2H-pyran-4-yl)oxy)-5-(4-((3,4,5-tri...)
Show SMILES COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc(OC)c1OC
Show InChI InChI=1S/C24H25N5O5/c1-30-20-11-17(12-21(31-2)22(20)32-3)28-24-27-14-26-23(29-24)15-4-5-19(16(10-15)13-25)34-18-6-8-33-9-7-18/h4-5,10-12,14,18H,6-9H2,1-3H3,(H,26,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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


(Homo sapiens (Human))
BDBM278096
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)C2CCN(CC2)C2COC2)n1)C(=O)c1ccn[nH]1
Show InChI InChI=1/C33H34FN9O3/c34-27-17-43(32(44)28-7-11-38-41-28)14-10-30(27)46-29-6-3-23(15-24(29)16-35)31-36-20-37-33(40-31)39-25-4-1-21(2-5-25)22-8-12-42(13-9-22)26-18-45-19-26/h1-7,11,15,20,22,26-27,30H,8-10,12-14,17-19H2,(H,38,41)(H,36,37,39,40)/t27-,30+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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


(Homo sapiens (Human))
BDBM277922
PNG
(2-(((3R,4S)-3-fluoro-1-(4H-1,2,4-triazole-3-carbon...)
Show SMILES F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1nnc[nH]1
Show InChI InChI=1/C31H32FN11O3/c32-25-15-43(30(44)29-35-19-37-40-29)8-7-27(25)46-26-6-1-20(13-21(26)14-33)28-34-18-36-31(39-28)38-22-2-4-23(5-3-22)41-9-11-42(12-10-41)24-16-45-17-24/h1-6,13,18-19,24-25,27H,7-12,15-17H2,(H,35,37,40)(H,34,36,38,39)/t25-,27+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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=1/C30H32F2N8O4/c31-30(32)18-40(27(42)15-41)8-7-26(30)44-25-6-1-20(13-21(25)14-33)28-34-19-35-29(37-28)36-22-2-4-23(5-3-22)38-9-11-39(12-10-38)24-16-43-17-24/h1-6,13,19,24,26,41H,7-12,15-18H2,(H,34,35,36,37)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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


(Homo sapiens (Human))
BDBM277931
PNG
((R)-2-((3,3-difluoro-1-(2- hydroxyacetyl)piperidin...)
Show SMILES OCC(=O)N1CC[C@@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1
Show InChI InChI=1/C30H32F2N8O4/c31-30(32)18-40(27(42)15-41)8-7-26(30)44-25-6-1-20(13-21(25)14-33)28-34-19-35-29(37-28)36-22-2-4-23(5-3-22)38-9-11-39(12-10-38)24-16-43-17-24/h1-6,13,19,24,26,41H,7-12,15-18H2,(H,34,35,36,37)/t26-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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


(Homo sapiens (Human))
BDBM278034
PNG
(2-(((3R,4S)-3-fluoro-1-(1H-imidazole-5-carbonyl)pi...)
Show SMILES C[C@H]1CN(CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)c3cnc[nH]3)c(c2)C#N)cc1)C1COC1
Show InChI InChI=1/C33H35FN10O3/c1-21-15-42(26-17-46-18-26)10-11-44(21)25-5-3-24(4-6-25)40-33-39-20-38-31(41-33)22-2-7-29(23(12-22)13-35)47-30-8-9-43(16-27(30)34)32(45)28-14-36-19-37-28/h2-7,12,14,19-21,26-27,30H,8-11,15-18H2,1H3,(H,36,37)(H,38,39,40,41)/t21-,27+,30-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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


(Homo sapiens (Human))
BDBM278314
PNG
(2-(((3R,4S)-3-fluoro-1-((S)-5-oxopyrrolidine-2-car...)
Show SMILES Cc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)C3CCC(=O)N3)c(c2)C#N)ccc1N1CCN(CC1)C1COC1
Show InChI InChI=1/C34H38FN9O4/c1-21-14-24(3-5-28(21)43-12-10-42(11-13-43)25-18-47-19-25)39-34-38-20-37-32(41-34)22-2-6-29(23(15-22)16-36)48-30-8-9-44(17-26(30)35)33(46)27-4-7-31(45)40-27/h2-3,5-6,14-15,20,25-27,30H,4,7-13,17-19H2,1H3,(H,40,45)(H,37,38,39,41)/t26-,27?,30+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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


(Homo sapiens (Human))
BDBM277778
PNG
(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)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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


(Homo sapiens (Human))
BDBM278351
PNG
(2-(((3R,4S)-3-fluoro-1-((S)-2-hydroxypropanoyl)pip...)
Show SMILES C[C@H](O)CN1CCN(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@H](C)O)c(c2)C#N)cc1
Show InChI InChI=1/C31H37FN8O4/c1-20(41)17-38-11-13-39(14-12-38)25-6-4-24(5-7-25)36-31-35-19-34-29(37-31)22-3-8-27(23(15-22)16-33)44-28-9-10-40(18-26(28)32)30(43)21(2)42/h3-8,15,19-21,26,28,41-42H,9-14,17-18H2,1-2H3,(H,34,35,36,37)/t20-,21-,26+,28-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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


(Homo sapiens (Human))
BDBM278353
PNG
(2-(((3R,4S)-1-((S)-2,3-dihydroxypropanoyl)-3-fluor...)
Show SMILES Cc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@@H](O)CO)c(c2)C#N)ccc1N1CCN(CC1)C1COC1
Show InChI InChI=1/C32H37FN8O5/c1-20-12-23(3-4-26(20)40-10-8-39(9-11-40)24-17-45-18-24)37-32-36-19-35-30(38-32)21-2-5-28(22(13-21)14-34)46-29-6-7-41(15-25(29)33)31(44)27(43)16-42/h2-5,12-13,19,24-25,27,29,42-43H,6-11,15-18H2,1H3,(H,35,36,37,38)/t25-,27+,29+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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


(Homo sapiens (Human))
BDBM278356
PNG
(2-(((3R,4S)-1-((S)-2,3-dihydroxypropanoyl)-3-fluor...)
Show SMILES COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@@H](O)CO)c(c2)C#N)ccc1N1CCN(CC1)C1COC1
Show InChI InChI=1/C32H37FN8O6/c1-45-29-13-22(3-4-25(29)40-10-8-39(9-11-40)23-17-46-18-23)37-32-36-19-35-30(38-32)20-2-5-27(21(12-20)14-34)47-28-6-7-41(15-24(28)33)31(44)26(43)16-42/h2-5,12-13,19,23-24,26,28,42-43H,6-11,15-18H2,1H3,(H,35,36,37,38)/t24-,26+,28+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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


(Homo sapiens (Human))
BDBM277797
PNG
(5-(4-((4-(4-(oxetan-3-yl)piperazin-1-yl)phenyl)ami...)
Show SMILES N#Cc1cc(ccc1OC1CCSCC1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1
Show InChI InChI=1S/C28H31N7O2S/c29-16-21-15-20(1-6-26(21)37-25-7-13-38-14-8-25)27-30-19-31-28(33-27)32-22-2-4-23(5-3-22)34-9-11-35(12-10-34)24-17-36-18-24/h1-6,15,19,24-25H,7-14,17-18H2,(H,30,31,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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


(Homo sapiens (Human))
BDBM278089
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)C3CCN(CC3)C3COC3)n2)[C@H](F)C1
Show InChI InChI=1/C32H36FN7O4/c1-20(41)31(42)40-13-10-29(27(33)16-40)44-28-7-4-23(14-24(28)15-34)30-35-19-36-32(38-30)37-25-5-2-21(3-6-25)22-8-11-39(12-9-22)26-17-43-18-26/h2-7,14,19-20,22,26-27,29,41H,8-13,16-18H2,1H3,(H,35,36,37,38)/t20-,27+,29-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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


(Homo sapiens (Human))
BDBM277842
PNG
(5-(4-((4-(4-(2-hydroxyacetyl)piperazin-1-yl)phenyl...)
Show SMILES OCC(=O)N1CCN(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1
Show InChI InChI=1S/C27H29N7O4/c28-16-20-15-19(1-6-24(20)38-23-7-13-37-14-8-23)26-29-18-30-27(32-26)31-21-2-4-22(5-3-21)33-9-11-34(12-10-33)25(36)17-35/h1-6,15,18,23,35H,7-14,17H2,(H,29,30,31,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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


(Homo sapiens (Human))
BDBM278119
PNG
(2-(((3R,4S)-1-(5-aminopyrazine-2-carbonyl)-3-fluor...)
Show SMILES Nc1cnc(cn1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1
Show InChI InChI=1/C33H34FN11O3/c34-26-17-45(32(46)27-15-38-30(36)16-37-27)8-7-29(26)48-28-6-1-21(13-22(28)14-35)31-39-20-40-33(42-31)41-23-2-4-24(5-3-23)43-9-11-44(12-10-43)25-18-47-19-25/h1-6,13,15-16,20,25-26,29H,7-12,17-19H2,(H2,36,38)(H,39,40,41,42)/t26-,29+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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


(Homo sapiens (Human))
BDBM278247
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](CO)C3)n2)C(F)(F)C1
Show InChI InChI=1/C32H36F2N8O5/c1-20(44)30(45)41-9-8-28(32(33,34)18-41)47-27-7-2-21(12-22(27)13-35)29-36-19-37-31(39-29)38-23-3-5-24(6-4-23)40-10-11-42(25(14-40)15-43)26-16-46-17-26/h2-7,12,19-20,25-26,28,43-44H,8-11,14-18H2,1H3,(H,36,37,38,39)/t20-,25+,28-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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


(Homo sapiens (Human))
BDBM277982
PNG
(2-((2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl)-5-(4...)
Show SMILES C[C@@H]1C[C@@H](O)CN1c1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1
Show InChI InChI=1/C28H32N8O2/c1-19-12-25(37)15-36(19)26-7-2-20(13-21(26)14-29)27-30-18-31-28(33-27)32-22-3-5-23(6-4-22)34-8-10-35(11-9-34)24-16-38-17-24/h2-7,13,18-19,24-25,37H,8-12,15-17H2,1H3,(H,30,31,32,33)/t19-,25-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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


(Homo sapiens (Human))
BDBM278263
PNG
(2-(((3R,4S)-3-fluoro-1-(1-methyl-1H-1,2,3-triazole...)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)c3cn(C)nn3)c(c2)C#N)cc1C
Show InChI InChI=1/C32H35FN10O2/c1-20-14-24(5-6-25(20)21-8-11-41(2)12-9-21)37-32-36-19-35-30(38-32)22-4-7-28(23(15-22)16-34)45-29-10-13-43(17-26(29)33)31(44)27-18-42(3)40-39-27/h4-7,14-15,18-19,21,26,29H,8-13,17H2,1-3H3,(H,35,36,37,38)/t26-,29+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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


(Homo sapiens (Human))
BDBM278024
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=1/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+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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


(Homo sapiens (Human))
BDBM278035
PNG
(2-(((3R,4S)-3-fluoro-1-(1H-pyrazole-5-carbonyl)pip...)
Show SMILES C[C@H]1CN(CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)c3ccn[nH]3)c(c2)C#N)cc1)C1COC1
Show InChI InChI=1/C33H35FN10O3/c1-21-16-42(26-18-46-19-26)12-13-44(21)25-5-3-24(4-6-25)39-33-37-20-36-31(40-33)22-2-7-29(23(14-22)15-35)47-30-9-11-43(17-27(30)34)32(45)28-8-10-38-41-28/h2-8,10,14,20-21,26-27,30H,9,11-13,16-19H2,1H3,(H,38,41)(H,36,37,39,40)/t21-,27+,30-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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


(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=1/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-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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=1/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-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

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


(Homo sapiens (Human))
BDBM278171
PNG
(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
Show InChI InChI=1/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+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/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 US10253019 (2019)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 1854 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%