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Patent code US8969335

Compile Data Set for Download or QSAR
Found 189 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))
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
Serine/threonine-protein kinase TBK1


(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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n/an/a 2n/an/an/an/a7.530



MERCK PATENT GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(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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MERCK PATENT GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
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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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144138
PNG
(US8969335, A75)
Show SMILES OCCn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C21H22N6O3/c22-12-16-11-15(1-2-20(16)30-18-4-9-29-10-5-18)19-3-6-23-21(26-19)25-17-13-24-27(14-17)7-8-28/h1-3,6,11,13-14,18,28H,4-5,7-10H2,(H,23,25,26)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144164
PNG
(US8969335, A101)
Show SMILES O[C@H]1CC[C@@H](CC1)n1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1 |r,wU:4.7,wD:1.0,(-10.92,1.18,;-9.43,.78,;-9.03,-.7,;-7.54,-1.1,;-6.45,-.01,;-6.85,1.47,;-8.34,1.87,;-4.96,-.41,;-3.72,.49,;-2.47,-.41,;-.99,-.01,;.1,-1.1,;-.3,-2.59,;.79,-3.68,;2.28,-3.28,;2.68,-1.79,;1.59,-.7,;4.17,-1.39,;4.57,.09,;6.05,.49,;7.14,-.6,;8.63,-.2,;9.03,1.29,;10.52,1.69,;10.92,3.17,;9.83,4.26,;8.34,3.86,;7.94,2.38,;6.74,-2.09,;5.26,-2.48,;7.83,-3.17,;8.92,-4.26,;-2.95,-1.88,;-4.49,-1.88,)|
Show InChI InChI=1S/C25H28N6O3/c26-14-18-13-17(1-6-24(18)34-22-8-11-33-12-9-22)23-7-10-27-25(30-23)29-19-15-28-31(16-19)20-2-4-21(32)5-3-20/h1,6-7,10,13,15-16,20-22,32H,2-5,8-9,11-12H2,(H,27,29,30)/t20-,21-
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144138
PNG
(US8969335, A75)
Show SMILES OCCn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C21H22N6O3/c22-12-16-11-15(1-2-20(16)30-18-4-9-29-10-5-18)19-3-6-23-21(26-19)25-17-13-24-27(14-17)7-8-28/h1-3,6,11,13-14,18,28H,4-5,7-10H2,(H,23,25,26)
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n/an/a 4n/an/an/an/a7.530



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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))
BDBM144130
PNG
(US8969335, A67)
Show SMILES OC[C@H]1C[C@@H]1Cn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1 |r|
Show InChI InChI=1S/C24H26N6O3/c25-11-17-9-16(1-2-23(17)33-21-4-7-32-8-5-21)22-3-6-26-24(29-22)28-20-12-27-30(14-20)13-18-10-19(18)15-31/h1-3,6,9,12,14,18-19,21,31H,4-5,7-8,10,13,15H2,(H,26,28,29)/t18-,19-/m1/s1
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144141
PNG
(US8969335, A78)
Show SMILES CN1CCC(CC1)c1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1
Show InChI InChI=1S/C28H31N5O2/c1-33-12-6-20(7-13-33)22-4-10-30-27(17-22)32-28-18-23(5-11-31-28)21-2-3-26(24(16-21)19-29)35-25-8-14-34-15-9-25/h2-5,10-11,16-18,20,25H,6-9,12-15H2,1H3,(H,30,31,32)
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n/an/a 5n/an/an/an/a7.530



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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144161
PNG
(US8969335, A98)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnc(cn2)C2CCOCC2)c1
Show InChI InChI=1S/C26H27N5O3/c27-15-21-13-19(1-2-24(21)34-22-6-11-33-12-7-22)20-3-8-28-25(14-20)31-26-17-29-23(16-30-26)18-4-9-32-10-5-18/h1-3,8,13-14,16-18,22H,4-7,9-12H2,(H,28,30,31)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144215
PNG
(US8969335, A40)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(c2)C2CCNC2)n1
Show InChI InChI=1S/C23H25N7O2/c24-12-17-11-16(1-2-22(17)32-20-5-9-31-10-6-20)21-4-8-26-23(29-21)28-18-13-27-30(15-18)19-3-7-25-14-19/h1-2,4,8,11,13,15,19-20,25H,3,5-7,9-10,14H2,(H,26,28,29)
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n/an/a 5n/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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144219
PNG
(US8969335, A44)
Show SMILES FC(F)Cn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C21H20F2N6O2/c22-20(23)13-29-12-16(11-26-29)27-21-25-6-3-18(28-21)14-1-2-19(15(9-14)10-24)31-17-4-7-30-8-5-17/h1-3,6,9,11-12,17,20H,4-5,7-8,13H2,(H,25,27,28)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144164
PNG
(US8969335, A101)
Show SMILES O[C@H]1CC[C@@H](CC1)n1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1 |r,wU:4.7,wD:1.0,(-10.92,1.18,;-9.43,.78,;-9.03,-.7,;-7.54,-1.1,;-6.45,-.01,;-6.85,1.47,;-8.34,1.87,;-4.96,-.41,;-3.72,.49,;-2.47,-.41,;-.99,-.01,;.1,-1.1,;-.3,-2.59,;.79,-3.68,;2.28,-3.28,;2.68,-1.79,;1.59,-.7,;4.17,-1.39,;4.57,.09,;6.05,.49,;7.14,-.6,;8.63,-.2,;9.03,1.29,;10.52,1.69,;10.92,3.17,;9.83,4.26,;8.34,3.86,;7.94,2.38,;6.74,-2.09,;5.26,-2.48,;7.83,-3.17,;8.92,-4.26,;-2.95,-1.88,;-4.49,-1.88,)|
Show InChI InChI=1S/C25H28N6O3/c26-14-18-13-17(1-6-24(18)34-22-8-11-33-12-9-22)23-7-10-27-25(30-23)29-19-15-28-31(16-19)20-2-4-21(32)5-3-20/h1,6-7,10,13,15-16,20-22,32H,2-5,8-9,11-12H2,(H,27,29,30)/t20-,21-
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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))
BDBM144127
PNG
(US8969335, A64)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(c2)C2CCNCC2)n1
Show InChI InChI=1S/C24H27N7O2/c25-14-18-13-17(1-2-23(18)33-21-6-11-32-12-7-21)22-5-10-27-24(30-22)29-19-15-28-31(16-19)20-3-8-26-9-4-20/h1-2,5,10,13,15-16,20-21,26H,3-4,6-9,11-12H2,(H,27,29,30)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144130
PNG
(US8969335, A67)
Show SMILES OC[C@H]1C[C@@H]1Cn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1 |r|
Show InChI InChI=1S/C24H26N6O3/c25-11-17-9-16(1-2-23(17)33-21-4-7-32-8-5-21)22-3-6-26-24(29-22)28-20-12-27-30(14-20)13-18-10-19(18)15-31/h1-3,6,9,12,14,18-19,21,31H,4-5,7-8,10,13,15H2,(H,26,28,29)/t18-,19-/m1/s1
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n/an/a 6n/an/an/an/a7.530



MERCK PATENT GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144127
PNG
(US8969335, A64)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(c2)C2CCNCC2)n1
Show InChI InChI=1S/C24H27N7O2/c25-14-18-13-17(1-2-23(18)33-21-6-11-32-12-7-21)22-5-10-27-24(30-22)29-19-15-28-31(16-19)20-3-8-26-9-4-20/h1-2,5,10,13,15-16,20-21,26H,3-4,6-9,11-12H2,(H,27,29,30)
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n/an/a 6n/an/an/an/a7.530



MERCK PATENT GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144162
PNG
(US8969335, A99)
Show SMILES OCc1cnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C22H21N5O3/c23-11-17-9-15(1-2-20(17)30-19-4-7-29-8-5-19)16-3-6-24-21(10-16)27-22-13-25-18(14-28)12-26-22/h1-3,6,9-10,12-13,19,28H,4-5,7-8,14H2,(H,24,26,27)
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n/an/a 6n/an/an/an/a7.530



MERCK PATENT GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144209
PNG
(US8969335, A34)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cn[nH]c2)n1
Show InChI InChI=1S/C19H18N6O2/c20-10-14-9-13(1-2-18(14)27-16-4-7-26-8-5-16)17-3-6-21-19(25-17)24-15-11-22-23-12-15/h1-3,6,9,11-12,16H,4-5,7-8H2,(H,22,23)(H,21,24,25)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144210
PNG
(US8969335, A35)
Show SMILES COCCn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C22H24N6O3/c1-29-11-8-28-15-18(14-25-28)26-22-24-7-4-20(27-22)16-2-3-21(17(12-16)13-23)31-19-5-9-30-10-6-19/h2-4,7,12,14-15,19H,5-6,8-11H2,1H3,(H,24,26,27)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144134
PNG
(US8969335, A71)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(nn2)C2CCNCC2)c1
Show InChI InChI=1S/C26H28N6O2/c27-17-21-15-19(1-3-24(21)34-22-8-13-33-14-9-22)20-7-12-29-26(16-20)30-25-4-2-23(31-32-25)18-5-10-28-11-6-18/h1-4,7,12,15-16,18,22,28H,5-6,8-11,13-14H2,(H,29,30,32)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144209
PNG
(US8969335, A34)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cn[nH]c2)n1
Show InChI InChI=1S/C19H18N6O2/c20-10-14-9-13(1-2-18(14)27-16-4-7-26-8-5-16)17-3-6-21-19(25-17)24-15-11-22-23-12-15/h1-3,6,9,11-12,16H,4-5,7-8H2,(H,22,23)(H,21,24,25)
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Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144141
PNG
(US8969335, A78)
Show SMILES CN1CCC(CC1)c1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1
Show InChI InChI=1S/C28H31N5O2/c1-33-12-6-20(7-13-33)22-4-10-30-27(17-22)32-28-18-23(5-11-31-28)21-2-3-26(24(16-21)19-29)35-25-8-14-34-15-9-25/h2-5,10-11,16-18,20,25H,6-9,12-15H2,1H3,(H,30,31,32)
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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))
BDBM144193
PNG
(US8969335, A16)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(c2)C2CCNCC2)c1
Show InChI InChI=1S/C25H28N6O2/c26-15-20-13-18(1-2-24(20)33-23-6-11-32-12-7-23)19-3-10-28-25(14-19)30-21-16-29-31(17-21)22-4-8-27-9-5-22/h1-3,10,13-14,16-17,22-23,27H,4-9,11-12H2,(H,28,30)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144215
PNG
(US8969335, A40)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(c2)C2CCNC2)n1
Show InChI InChI=1S/C23H25N7O2/c24-12-17-11-16(1-2-22(17)32-20-5-9-31-10-6-20)21-4-8-26-23(29-21)28-18-13-27-30(15-18)19-3-7-25-14-19/h1-2,4,8,11,13,15,19-20,25H,3,5-7,9-10,14H2,(H,26,28,29)
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Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144135
PNG
(US8969335, A72)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnc(cn2)C2CCNCC2)c1
Show InChI InChI=1S/C26H28N6O2/c27-15-21-13-19(1-2-24(21)34-22-6-11-33-12-7-22)20-5-10-29-25(14-20)32-26-17-30-23(16-31-26)18-3-8-28-9-4-18/h1-2,5,10,13-14,16-18,22,28H,3-4,6-9,11-12H2,(H,29,31,32)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144166
PNG
(US8969335, A103)
Show SMILES COCCn1cc(Nc2nccc(n2)-c2ccc(OCC3CCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C22H24N6O2/c1-29-10-9-28-14-19(13-25-28)26-22-24-8-7-20(27-22)17-5-6-21(18(11-17)12-23)30-15-16-3-2-4-16/h5-8,11,13-14,16H,2-4,9-10,15H2,1H3,(H,24,26,27)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144162
PNG
(US8969335, A99)
Show SMILES OCc1cnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C22H21N5O3/c23-11-17-9-15(1-2-20(17)30-19-4-7-29-8-5-19)16-3-6-24-21(10-16)27-22-13-25-18(14-28)12-26-22/h1-3,6,9-10,12-13,19,28H,4-5,7-8,14H2,(H,24,26,27)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144185
PNG
(US8969335, A7)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(cn2)N2CCOCC2)c1
Show InChI InChI=1S/C26H27N5O3/c27-17-21-15-19(1-3-24(21)34-23-6-11-32-12-7-23)20-5-8-28-26(16-20)30-25-4-2-22(18-29-25)31-9-13-33-14-10-31/h1-5,8,15-16,18,23H,6-7,9-14H2,(H,28,29,30)
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MERCK PATENT GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144194
PNG
(US8969335, A18)
Show SMILES OCc1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1
Show InChI InChI=1S/C23H22N4O3/c24-14-19-12-17(1-2-21(19)30-20-5-9-29-10-6-20)18-4-8-26-23(13-18)27-22-11-16(15-28)3-7-25-22/h1-4,7-8,11-13,20,28H,5-6,9-10,15H2,(H,25,26,27)
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MERCK PATENT GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144166
PNG
(US8969335, A103)
Show SMILES COCCn1cc(Nc2nccc(n2)-c2ccc(OCC3CCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C22H24N6O2/c1-29-10-9-28-14-19(13-25-28)26-22-24-8-7-20(27-22)17-5-6-21(18(11-17)12-23)30-15-16-3-2-4-16/h5-8,11,13-14,16H,2-4,9-10,15H2,1H3,(H,24,26,27)
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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))
BDBM144154
PNG
(US8969335, A91)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cccc(n2)C2CCNCC2)c1
Show InChI InChI=1S/C27H29N5O2/c28-18-22-16-20(4-5-25(22)34-23-9-14-33-15-10-23)21-8-13-30-27(17-21)32-26-3-1-2-24(31-26)19-6-11-29-12-7-19/h1-5,8,13,16-17,19,23,29H,6-7,9-12,14-15H2,(H,30,31,32)
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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))
BDBM144158
PNG
(US8969335, A95)
Show SMILES OC[C@H]1C[C@@H]1Cn1cc(Nc2nccc(n2)-c2ccc(OCC3CCC3)c(c2)C#N)cn1 |r|
Show InChI InChI=1S/C24H26N6O2/c25-10-18-8-17(4-5-23(18)32-15-16-2-1-3-16)22-6-7-26-24(29-22)28-21-11-27-30(13-21)12-19-9-20(19)14-31/h4-8,11,13,16,19-20,31H,1-3,9,12,14-15H2,(H,26,28,29)/t19-,20-/m1/s1
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144136
PNG
(US8969335, A73)
Show SMILES O[C@H]1CC[C@H](CC1)n1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1 |r,wU:1.0,4.7,(-10.91,1.18,;-9.43,.78,;-8.34,1.87,;-6.85,1.47,;-6.45,-.01,;-7.54,-1.1,;-9.03,-.7,;-4.96,-.41,;-3.72,.49,;-2.47,-.41,;-.99,-.01,;.1,-1.1,;-.29,-2.59,;.79,-3.68,;2.28,-3.28,;2.68,-1.79,;1.59,-.7,;4.17,-1.39,;4.57,.09,;6.05,.49,;7.14,-.6,;8.63,-.2,;9.03,1.29,;10.52,1.69,;10.91,3.17,;9.83,4.26,;8.34,3.86,;7.94,2.38,;6.74,-2.09,;5.26,-2.48,;7.83,-3.17,;8.92,-4.26,;-2.95,-1.88,;-4.49,-1.88,)|
Show InChI InChI=1S/C25H28N6O3/c26-14-18-13-17(1-6-24(18)34-22-8-11-33-12-9-22)23-7-10-27-25(30-23)29-19-15-28-31(16-19)20-2-4-21(32)5-3-20/h1,6-7,10,13,15-16,20-22,32H,2-5,8-9,11-12H2,(H,27,29,30)/t20-,21+
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Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144161
PNG
(US8969335, A98)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnc(cn2)C2CCOCC2)c1
Show InChI InChI=1S/C26H27N5O3/c27-15-21-13-19(1-2-24(21)34-22-6-11-33-12-7-22)20-3-8-28-25(14-20)31-26-17-29-23(16-30-26)18-4-9-32-10-5-18/h1-3,8,13-14,16-18,22H,4-7,9-12H2,(H,28,30,31)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144217
PNG
(US8969335, A42)
Show SMILES NC(=O)c1cc2cc(Nc3nccc(n3)-c3ccc(OC4CCOCC4)c(c3)C#N)ccc2o1
Show InChI InChI=1S/C25H21N5O4/c26-14-17-11-15(1-3-22(17)33-19-6-9-32-10-7-19)20-5-8-28-25(30-20)29-18-2-4-21-16(12-18)13-23(34-21)24(27)31/h1-5,8,11-13,19H,6-7,9-10H2,(H2,27,31)(H,28,29,30)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144158
PNG
(US8969335, A95)
Show SMILES OC[C@H]1C[C@@H]1Cn1cc(Nc2nccc(n2)-c2ccc(OCC3CCC3)c(c2)C#N)cn1 |r|
Show InChI InChI=1S/C24H26N6O2/c25-10-18-8-17(4-5-23(18)32-15-16-2-1-3-16)22-6-7-26-24(29-22)28-21-11-27-30(13-21)12-19-9-20(19)14-31/h4-8,11,13,16,19-20,31H,1-3,9,12,14-15H2,(H,26,28,29)/t19-,20-/m1/s1
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n/an/a 10n/an/an/an/a7.530



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Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144136
PNG
(US8969335, A73)
Show SMILES O[C@H]1CC[C@H](CC1)n1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1 |r,wU:1.0,4.7,(-10.91,1.18,;-9.43,.78,;-8.34,1.87,;-6.85,1.47,;-6.45,-.01,;-7.54,-1.1,;-9.03,-.7,;-4.96,-.41,;-3.72,.49,;-2.47,-.41,;-.99,-.01,;.1,-1.1,;-.29,-2.59,;.79,-3.68,;2.28,-3.28,;2.68,-1.79,;1.59,-.7,;4.17,-1.39,;4.57,.09,;6.05,.49,;7.14,-.6,;8.63,-.2,;9.03,1.29,;10.52,1.69,;10.91,3.17,;9.83,4.26,;8.34,3.86,;7.94,2.38,;6.74,-2.09,;5.26,-2.48,;7.83,-3.17,;8.92,-4.26,;-2.95,-1.88,;-4.49,-1.88,)|
Show InChI InChI=1S/C25H28N6O3/c26-14-18-13-17(1-6-24(18)34-22-8-11-33-12-9-22)23-7-10-27-25(30-23)29-19-15-28-31(16-19)20-2-4-21(32)5-3-20/h1,6-7,10,13,15-16,20-22,32H,2-5,8-9,11-12H2,(H,27,29,30)/t20-,21+
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n/an/a 10n/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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144135
PNG
(US8969335, A72)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnc(cn2)C2CCNCC2)c1
Show InChI InChI=1S/C26H28N6O2/c27-15-21-13-19(1-2-24(21)34-22-6-11-33-12-7-22)20-5-10-29-25(14-20)32-26-17-30-23(16-31-26)18-3-8-28-9-4-18/h1-2,5,10,13-14,16-18,22,28H,3-4,6-9,11-12H2,(H,29,31,32)
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n/an/a 10n/an/an/an/a7.530



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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144144
PNG
(US8969335, A81)
Show SMILES CN(C)Cc1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1
Show InChI InChI=1S/C25H27N5O2/c1-30(2)17-18-5-9-27-24(13-18)29-25-15-20(6-10-28-25)19-3-4-23(21(14-19)16-26)32-22-7-11-31-12-8-22/h3-6,9-10,13-15,22H,7-8,11-12,17H2,1-2H3,(H,27,28,29)
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n/an/a 10n/an/an/an/a7.530



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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))
BDBM144219
PNG
(US8969335, A44)
Show SMILES FC(F)Cn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C21H20F2N6O2/c22-20(23)13-29-12-16(11-26-29)27-21-25-6-3-18(28-21)14-1-2-19(15(9-14)10-24)31-17-4-7-30-8-5-17/h1-3,6,9,11-12,17,20H,4-5,7-8,13H2,(H,25,27,28)
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n/an/a 10n/an/an/an/a7.530



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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144160
PNG
(US8969335, A97)
Show SMILES O[C@H]1CC[C@H](CC1)n1cc(Nc2nccc(n2)-c2ccc(OCC3CCC3)c(c2)C#N)cn1 |r,wU:1.0,4.7,(-10.97,-2.61,;-9.88,-1.52,;-10.28,-.04,;-9.19,1.05,;-7.7,.65,;-7.31,-.83,;-8.39,-1.92,;-6.61,1.74,;-5.15,1.27,;-4.24,2.51,;-2.76,2.91,;-1.99,1.58,;-2.76,.24,;-1.99,-1.09,;-.45,-1.09,;.32,.24,;-.45,1.58,;1.86,.24,;2.63,1.58,;4.17,1.58,;4.94,.24,;6.48,.24,;7.25,-1.09,;8.79,-1.09,;9.88,-2.18,;10.97,-1.09,;9.88,-0,;4.17,-1.09,;2.63,-1.09,;4.94,-2.42,;5.71,-3.76,;-5.15,3.76,;-6.61,3.28,)|
Show InChI InChI=1S/C25H28N6O2/c26-13-19-12-18(4-9-24(19)33-16-17-2-1-3-17)23-10-11-27-25(30-23)29-20-14-28-31(15-20)21-5-7-22(32)8-6-21/h4,9-12,14-15,17,21-22,32H,1-3,5-8,16H2,(H,27,29,30)/t21-,22+
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n/an/a 11n/an/an/an/a7.530



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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144140
PNG
(US8969335, A77)
Show SMILES NCc1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1
Show InChI InChI=1S/C23H23N5O2/c24-14-16-3-7-26-22(11-16)28-23-13-18(4-8-27-23)17-1-2-21(19(12-17)15-25)30-20-5-9-29-10-6-20/h1-4,7-8,11-13,20H,5-6,9-10,14,24H2,(H,26,27,28)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144216
PNG
(US8969335, A41)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CC3CCOC3)c2)n1
Show InChI InChI=1S/C24H26N6O3/c25-12-19-11-18(1-2-23(19)33-21-5-9-31-10-6-21)22-3-7-26-24(29-22)28-20-13-27-30(15-20)14-17-4-8-32-16-17/h1-3,7,11,13,15,17,21H,4-6,8-10,14,16H2,(H,26,28,29)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144194
PNG
(US8969335, A18)
Show SMILES OCc1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1
Show InChI InChI=1S/C23H22N4O3/c24-14-19-12-17(1-2-21(19)30-20-5-9-29-10-6-20)18-4-8-26-23(13-18)27-22-11-16(15-28)3-7-25-22/h1-4,7-8,11-13,20,28H,5-6,9-10,15H2,(H,25,26,27)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144157
PNG
(US8969335, A94)
Show SMILES OCCn1cc(Nc2nccc(n2)-c2ccc(OCC3CCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C21H22N6O2/c22-11-17-10-16(4-5-20(17)29-14-15-2-1-3-15)19-6-7-23-21(26-19)25-18-12-24-27(13-18)8-9-28/h4-7,10,12-13,15,28H,1-3,8-9,14H2,(H,23,25,26)
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n/an/a 14n/an/an/an/a7.530



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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144163
PNG
(US8969335, A100)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(nn2)C2CCOCC2)c1
Show InChI InChI=1S/C26H27N5O3/c27-17-21-15-19(1-3-24(21)34-22-8-13-33-14-9-22)20-5-10-28-26(16-20)29-25-4-2-23(30-31-25)18-6-11-32-12-7-18/h1-5,10,15-16,18,22H,6-9,11-14H2,(H,28,29,31)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144192
PNG
(US8969335, A15)
Show SMILES OCc1ccc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)nc1
Show InChI InChI=1S/C23H22N4O3/c24-13-19-11-17(2-3-21(19)30-20-6-9-29-10-7-20)18-5-8-25-23(12-18)27-22-4-1-16(15-28)14-26-22/h1-5,8,11-12,14,20,28H,6-7,9-10,15H2,(H,25,26,27)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144144
PNG
(US8969335, A81)
Show SMILES CN(C)Cc1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1
Show InChI InChI=1S/C25H27N5O2/c1-30(2)17-18-5-9-27-24(13-18)29-25-15-20(6-10-28-25)19-3-4-23(21(14-19)16-26)32-22-7-11-31-12-8-22/h3-6,9-10,13-15,22H,7-8,11-12,17H2,1-2H3,(H,27,28,29)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144185
PNG
(US8969335, A7)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(cn2)N2CCOCC2)c1
Show InChI InChI=1S/C26H27N5O3/c27-17-21-15-19(1-3-24(21)34-23-6-11-32-12-7-23)20-5-8-28-26(16-20)30-25-4-2-22(18-29-25)31-9-13-33-14-10-31/h1-5,8,15-16,18,23H,6-7,9-14H2,(H,28,29,30)
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n/an/a 15n/an/an/an/a7.530



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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))
BDBM144217
PNG
(US8969335, A42)
Show SMILES NC(=O)c1cc2cc(Nc3nccc(n3)-c3ccc(OC4CCOCC4)c(c3)C#N)ccc2o1
Show InChI InChI=1S/C25H21N5O4/c26-14-17-11-15(1-3-22(17)33-19-6-9-32-10-7-19)20-5-8-28-25(30-20)29-18-2-4-21-16(12-18)13-23(34-21)24(27)31/h1-5,8,11-13,19H,6-7,9-10H2,(H2,27,31)(H,28,29,30)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144214
PNG
(US8969335, A39)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CCN3CCOCC3)c2)n1
Show InChI InChI=1S/C25H29N7O3/c26-16-20-15-19(1-2-24(20)35-22-4-11-33-12-5-22)23-3-6-27-25(30-23)29-21-17-28-32(18-21)8-7-31-9-13-34-14-10-31/h1-3,6,15,17-18,22H,4-5,7-14H2,(H,27,29,30)
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n/an/a 16n/an/an/an/a7.530



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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144157
PNG
(US8969335, A94)
Show SMILES OCCn1cc(Nc2nccc(n2)-c2ccc(OCC3CCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C21H22N6O2/c22-11-17-10-16(4-5-20(17)29-14-15-2-1-3-15)19-6-7-23-21(26-19)25-18-12-24-27(13-18)8-9-28/h4-7,10,12-13,15,28H,1-3,8-9,14H2,(H,23,25,26)
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n/an/a 18n/an/an/an/a7.530



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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))
BDBM144210
PNG
(US8969335, A35)
Show SMILES COCCn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C22H24N6O3/c1-29-11-8-28-15-18(14-25-28)26-22-24-7-4-20(27-22)16-2-3-21(17(12-16)13-23)31-19-5-9-30-10-6-19/h2-4,7,12,14-15,19H,5-6,8-11H2,1H3,(H,24,26,27)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144202
PNG
(US8969335, A26)
Show SMILES OC[C@H]1C[C@@H]1Cn1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C25H27N5O3/c26-12-19-9-17(1-2-24(19)33-23-4-7-32-8-5-23)18-3-6-27-25(11-18)29-22-13-28-30(15-22)14-20-10-21(20)16-31/h1-3,6,9,11,13,15,20-21,23,31H,4-5,7-8,10,14,16H2,(H,27,29)/t20-,21-/m1/s1
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n/an/a 18n/an/an/an/a7.530



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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144182
PNG
(US8969335, A2)
Show SMILES CN1CCC(CC1)n1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C26H30N6O2/c1-31-10-5-23(6-11-31)32-18-22(17-29-32)30-26-15-20(4-9-28-26)19-2-3-25(21(14-19)16-27)34-24-7-12-33-13-8-24/h2-4,9,14-15,17-18,23-24H,5-8,10-13H2,1H3,(H,28,30)
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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))
BDBM144192
PNG
(US8969335, A15)
Show SMILES OCc1ccc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)nc1
Show InChI InChI=1S/C23H22N4O3/c24-13-19-11-17(2-3-21(19)30-20-6-9-29-10-7-20)18-5-8-25-23(12-18)27-22-4-1-16(15-28)14-26-22/h1-5,8,11-12,14,20,28H,6-7,9-10,15H2,(H,25,26,27)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144187
PNG
(US8969335, A10)
Show SMILES CC(C)(C)c1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)n[nH]1
Show InChI InChI=1S/C24H27N5O2/c1-24(2,3)21-14-23(29-28-21)27-22-13-17(6-9-26-22)16-4-5-20(18(12-16)15-25)31-19-7-10-30-11-8-19/h4-6,9,12-14,19H,7-8,10-11H2,1-3H3,(H2,26,27,28,29)
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n/an/a 21n/an/an/an/a7.530



MERCK PATENT GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144212
PNG
(US8969335, A37)
Show SMILES NC(=O)c1ccc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)nc1
Show InChI InChI=1S/C23H21N5O3/c24-13-18-11-15(1-3-20(18)31-19-6-9-30-10-7-19)16-5-8-26-22(12-16)28-21-4-2-17(14-27-21)23(25)29/h1-5,8,11-12,14,19H,6-7,9-10H2,(H2,25,29)(H,26,27,28)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144134
PNG
(US8969335, A71)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(nn2)C2CCNCC2)c1
Show InChI InChI=1S/C26H28N6O2/c27-17-21-15-19(1-3-24(21)34-22-8-13-33-14-9-22)20-7-12-29-26(16-20)30-25-4-2-23(31-32-25)18-5-10-28-11-6-18/h1-4,7,12,15-16,18,22,28H,5-6,8-11,13-14H2,(H,29,30,32)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144139
PNG
(US8969335, A76)
Show SMILES COc1nc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1C1=CCNCC1 |t:34|
Show InChI InChI=1S/C27H28N6O3/c1-34-26-22(18-6-11-29-12-7-18)3-5-25(32-26)33-27-30-13-8-23(31-27)19-2-4-24(20(16-19)17-28)36-21-9-14-35-15-10-21/h2-6,8,13,16,21,29H,7,9-12,14-15H2,1H3,(H,30,31,32,33)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144172
PNG
(US8969335, A108)
Show SMILES N#Cc1cc(ccc1OCC1CC1)-c1ccnc(Nc2ccc(cn2)N2CCOCC2)c1
Show InChI InChI=1S/C25H25N5O2/c26-15-21-13-19(3-5-23(21)32-17-18-1-2-18)20-7-8-27-25(14-20)29-24-6-4-22(16-28-24)30-9-11-31-12-10-30/h3-8,13-14,16,18H,1-2,9-12,17H2,(H,27,28,29)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144159
PNG
(US8969335, A96)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cncc(n2)C2CCNCC2)c1
Show InChI InChI=1S/C26H28N6O2/c27-15-21-13-19(1-2-24(21)34-22-6-11-33-12-7-22)20-5-10-30-25(14-20)32-26-17-29-16-23(31-26)18-3-8-28-9-4-18/h1-2,5,10,13-14,16-18,22,28H,3-4,6-9,11-12H2,(H,30,31,32)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144167
PNG
(US8969335, A118)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(CN3CCOCC3)cn2)c1
Show InChI InChI=1S/C27H29N5O3/c28-17-23-15-21(2-3-25(23)35-24-6-11-33-12-7-24)22-5-8-29-27(16-22)31-26-4-1-20(18-30-26)19-32-9-13-34-14-10-32/h1-5,8,15-16,18,24H,6-7,9-14,19H2,(H,29,30,31)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144189
PNG
(US8969335, A12)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cc(n[nH]2)C2CC2)c1
Show InChI InChI=1S/C23H23N5O2/c24-14-18-11-16(3-4-21(18)30-19-6-9-29-10-7-19)17-5-8-25-22(12-17)26-23-13-20(27-28-23)15-1-2-15/h3-5,8,11-13,15,19H,1-2,6-7,9-10H2,(H2,25,26,27,28)
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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))
BDBM144214
PNG
(US8969335, A39)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CCN3CCOCC3)c2)n1
Show InChI InChI=1S/C25H29N7O3/c26-16-20-15-19(1-2-24(20)35-22-4-11-33-12-5-22)23-3-6-27-25(30-23)29-21-17-28-32(18-21)8-7-31-9-13-34-14-10-31/h1-3,6,15,17-18,22H,4-5,7-14H2,(H,27,29,30)
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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))
BDBM144216
PNG
(US8969335, A41)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CC3CCOC3)c2)n1
Show InChI InChI=1S/C24H26N6O3/c25-12-19-11-18(1-2-23(19)33-21-5-9-31-10-6-21)22-3-7-26-24(29-22)28-20-13-27-30(15-20)14-17-4-8-32-16-17/h1-3,7,11,13,15,17,21H,4-6,8-10,14,16H2,(H,26,28,29)
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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))
BDBM144167
PNG
(US8969335, A118)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(CN3CCOCC3)cn2)c1
Show InChI InChI=1S/C27H29N5O3/c28-17-23-15-21(2-3-25(23)35-24-6-11-33-12-7-24)22-5-8-29-27(16-22)31-26-4-1-20(18-30-26)19-32-9-13-34-14-10-32/h1-5,8,15-16,18,24H,6-7,9-14,19H2,(H,29,30,31)
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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))
BDBM144202
PNG
(US8969335, A26)
Show SMILES OC[C@H]1C[C@@H]1Cn1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C25H27N5O3/c26-12-19-9-17(1-2-24(19)33-23-4-7-32-8-5-23)18-3-6-27-25(11-18)29-22-13-28-30(15-22)14-20-10-21(20)16-31/h1-3,6,9,11,13,15,20-21,23,31H,4-5,7-8,10,14,16H2,(H,27,29)/t20-,21-/m1/s1
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144139
PNG
(US8969335, A76)
Show SMILES COc1nc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1C1=CCNCC1 |t:34|
Show InChI InChI=1S/C27H28N6O3/c1-34-26-22(18-6-11-29-12-7-18)3-5-25(32-26)33-27-30-13-8-23(31-27)19-2-4-24(20(16-19)17-28)36-21-9-14-35-15-10-21/h2-6,8,13,16,21,29H,7,9-12,14-15H2,1H3,(H,30,31,32,33)
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Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144171
PNG
(US8969335, A107)
Show SMILES [C-]#[N+]c1cc(ccc1OCC1CC1)-c1ccnc(Nc2ccn(n2)C2CCNCC2)c1
Show InChI InChI=1S/C24H26N6O/c1-25-21-14-18(4-5-22(21)31-16-17-2-3-17)19-6-12-27-24(15-19)28-23-9-13-30(29-23)20-7-10-26-11-8-20/h4-6,9,12-15,17,20,26H,2-3,7-8,10-11,16H2,(H,27,28,29)
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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))
BDBM144176
PNG
(US8969335, A112)
Show SMILES [C-]#[N+]c1cc(ccc1OCC1CCC1)-c1ccnc(Nc2ccn(n2)C2CCNCC2)c1
Show InChI InChI=1S/C25H28N6O/c1-26-22-15-19(5-6-23(22)32-17-18-3-2-4-18)20-7-13-28-25(16-20)29-24-10-14-31(30-24)21-8-11-27-12-9-21/h5-7,10,13-16,18,21,27H,2-4,8-9,11-12,17H2,(H,28,29,30)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144189
PNG
(US8969335, A12)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cc(n[nH]2)C2CC2)c1
Show InChI InChI=1S/C23H23N5O2/c24-14-18-11-16(3-4-21(18)30-19-6-9-29-10-7-19)17-5-8-25-22(12-17)26-23-13-20(27-28-23)15-1-2-15/h3-5,8,11-13,15,19H,1-2,6-7,9-10H2,(H2,25,26,27,28)
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n/an/a 30n/an/an/an/a7.530



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Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144140
PNG
(US8969335, A77)
Show SMILES NCc1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1
Show InChI InChI=1S/C23H23N5O2/c24-14-16-3-7-26-22(11-16)28-23-13-18(4-8-27-23)17-1-2-21(19(12-17)15-25)30-20-5-9-29-10-6-20/h1-4,7-8,11-13,20H,5-6,9-10,14,24H2,(H,26,27,28)
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n/an/a 30n/an/an/an/a7.530



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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144154
PNG
(US8969335, A91)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cccc(n2)C2CCNCC2)c1
Show InChI InChI=1S/C27H29N5O2/c28-18-22-16-20(4-5-25(22)34-23-9-14-33-15-10-23)21-8-13-30-27(17-21)32-26-3-1-2-24(31-26)19-6-11-29-12-7-19/h1-5,8,13,16-17,19,23,29H,6-7,9-12,14-15H2,(H,30,31,32)
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n/an/a 32n/an/an/an/a7.530



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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144212
PNG
(US8969335, A37)
Show SMILES NC(=O)c1ccc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)nc1
Show InChI InChI=1S/C23H21N5O3/c24-13-18-11-15(1-3-20(18)31-19-6-9-30-10-7-19)16-5-8-26-22(12-16)28-21-4-2-17(14-27-21)23(25)29/h1-5,8,11-12,14,19H,6-7,9-10H2,(H2,25,29)(H,26,27,28)
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n/an/a 32n/an/an/an/a7.530



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Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144183
PNG
(US8969335, A4)
Show SMILES Cc1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)no1
Show InChI InChI=1S/C21H20N4O3/c1-14-10-21(25-28-14)24-20-12-16(4-7-23-20)15-2-3-19(17(11-15)13-22)27-18-5-8-26-9-6-18/h2-4,7,10-12,18H,5-6,8-9H2,1H3,(H,23,24,25)
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Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144197
PNG
(US8969335, A21)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CCC3CCNCC3)c2)c1
Show InChI InChI=1S/C27H32N6O2/c28-17-23-15-21(1-2-26(23)35-25-7-13-34-14-8-25)22-5-11-30-27(16-22)32-24-18-31-33(19-24)12-6-20-3-9-29-10-4-20/h1-2,5,11,15-16,18-20,25,29H,3-4,6-10,12-14H2,(H,30,32)
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n/an/a 37n/an/an/an/a7.530



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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))
BDBM144183
PNG
(US8969335, A4)
Show SMILES Cc1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)no1
Show InChI InChI=1S/C21H20N4O3/c1-14-10-21(25-28-14)24-20-12-16(4-7-23-20)15-2-3-19(17(11-15)13-22)27-18-5-8-26-9-6-18/h2-4,7,10-12,18H,5-6,8-9H2,1H3,(H,23,24,25)
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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))
BDBM144163
PNG
(US8969335, A100)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(nn2)C2CCOCC2)c1
Show InChI InChI=1S/C26H27N5O3/c27-17-21-15-19(1-3-24(21)34-22-8-13-33-14-9-22)20-5-10-28-26(16-20)29-25-4-2-23(30-31-25)18-6-11-32-12-7-18/h1-5,10,15-16,18,22H,6-9,11-14H2,(H,28,29,31)
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n/an/a 39n/an/an/an/a7.530



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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))
BDBM144160
PNG
(US8969335, A97)
Show SMILES O[C@H]1CC[C@H](CC1)n1cc(Nc2nccc(n2)-c2ccc(OCC3CCC3)c(c2)C#N)cn1 |r,wU:1.0,4.7,(-10.97,-2.61,;-9.88,-1.52,;-10.28,-.04,;-9.19,1.05,;-7.7,.65,;-7.31,-.83,;-8.39,-1.92,;-6.61,1.74,;-5.15,1.27,;-4.24,2.51,;-2.76,2.91,;-1.99,1.58,;-2.76,.24,;-1.99,-1.09,;-.45,-1.09,;.32,.24,;-.45,1.58,;1.86,.24,;2.63,1.58,;4.17,1.58,;4.94,.24,;6.48,.24,;7.25,-1.09,;8.79,-1.09,;9.88,-2.18,;10.97,-1.09,;9.88,-0,;4.17,-1.09,;2.63,-1.09,;4.94,-2.42,;5.71,-3.76,;-5.15,3.76,;-6.61,3.28,)|
Show InChI InChI=1S/C25H28N6O2/c26-13-19-12-18(4-9-24(19)33-16-17-2-1-3-17)23-10-11-27-25(30-23)29-20-14-28-31(15-20)21-5-7-22(32)8-6-21/h4,9-12,14-15,17,21-22,32H,1-3,5-8,16H2,(H,27,29,30)/t21-,22+
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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))
BDBM144159
PNG
(US8969335, A96)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cncc(n2)C2CCNCC2)c1
Show InChI InChI=1S/C26H28N6O2/c27-15-21-13-19(1-2-24(21)34-22-6-11-33-12-7-22)20-5-10-30-25(14-20)32-26-17-29-16-23(31-26)18-3-8-28-9-4-18/h1-2,5,10,13-14,16-18,22,28H,3-4,6-9,11-12H2,(H,30,31,32)
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n/an/a 40n/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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144151
PNG
(US8969335, A88)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(CN3CC4(COC4)C3)cn2)c1
Show InChI InChI=1S/C28H29N5O3/c29-13-23-11-21(2-3-25(23)36-24-6-9-34-10-7-24)22-5-8-30-27(12-22)32-26-4-1-20(14-31-26)15-33-16-28(17-33)18-35-19-28/h1-5,8,11-12,14,24H,6-7,9-10,15-19H2,(H,30,31,32)
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n/an/a 41n/an/an/an/a7.530



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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144170
PNG
(US8969335, A106)
Show SMILES OCc1ccc(Nc2cc(ccn2)-c2ccc(OCC3CC3)c(c2)C#N)nc1
Show InChI InChI=1S/C22H20N4O2/c23-11-19-9-17(4-5-20(19)28-14-15-1-2-15)18-7-8-24-22(10-18)26-21-6-3-16(13-27)12-25-21/h3-10,12,15,27H,1-2,13-14H2,(H,24,25,26)
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n/an/a 41n/an/an/an/a7.530



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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144206
PNG
(US8969335, A30)
Show SMILES NCC(=O)N1CCC(CCn2cc(Nc3cc(ccn3)-c3ccc(OC4CCOCC4)c(c3)C#N)cn2)CC1
Show InChI InChI=1S/C29H35N7O3/c30-17-24-15-22(1-2-27(24)39-26-7-13-38-14-8-26)23-3-9-32-28(16-23)34-25-19-33-36(20-25)12-6-21-4-10-35(11-5-21)29(37)18-31/h1-3,9,15-16,19-21,26H,4-8,10-14,18,31H2,(H,32,34)
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n/an/a 42n/an/an/an/a7.530



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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144187
PNG
(US8969335, A10)
Show SMILES CC(C)(C)c1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)n[nH]1
Show InChI InChI=1S/C24H27N5O2/c1-24(2,3)21-14-23(29-28-21)27-22-13-17(6-9-26-22)16-4-5-20(18(12-16)15-25)31-19-7-10-30-11-8-19/h4-6,9,12-14,19H,7-8,10-11H2,1-3H3,(H2,26,27,28,29)
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n/an/a 43n/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))
BDBM144206
PNG
(US8969335, A30)
Show SMILES NCC(=O)N1CCC(CCn2cc(Nc3cc(ccn3)-c3ccc(OC4CCOCC4)c(c3)C#N)cn2)CC1
Show InChI InChI=1S/C29H35N7O3/c30-17-24-15-22(1-2-27(24)39-26-7-13-38-14-8-26)23-3-9-32-28(16-23)34-25-19-33-36(20-25)12-6-21-4-10-35(11-5-21)29(37)18-31/h1-3,9,15-16,19-21,26H,4-8,10-14,18,31H2,(H,32,34)
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n/an/a 45n/an/an/an/a7.530



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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))
BDBM144151
PNG
(US8969335, A88)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(CN3CC4(COC4)C3)cn2)c1
Show InChI InChI=1S/C28H29N5O3/c29-13-23-11-21(2-3-25(23)36-24-6-9-34-10-7-24)22-5-8-30-27(12-22)32-26-4-1-20(14-31-26)15-33-16-28(17-33)18-35-19-28/h1-5,8,11-12,14,24H,6-7,9-10,15-19H2,(H,30,31,32)
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n/an/a 45n/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))
BDBM144172
PNG
(US8969335, A108)
Show SMILES N#Cc1cc(ccc1OCC1CC1)-c1ccnc(Nc2ccc(cn2)N2CCOCC2)c1
Show InChI InChI=1S/C25H25N5O2/c26-15-21-13-19(3-5-23(21)32-17-18-1-2-18)20-7-8-27-25(14-20)29-24-6-4-22(16-28-24)30-9-11-31-12-10-30/h3-8,13-14,16,18H,1-2,9-12,17H2,(H,27,28,29)
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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))
BDBM144170
PNG
(US8969335, A106)
Show SMILES OCc1ccc(Nc2cc(ccn2)-c2ccc(OCC3CC3)c(c2)C#N)nc1
Show InChI InChI=1S/C22H20N4O2/c23-11-19-9-17(4-5-20(19)28-14-15-1-2-15)18-7-8-24-22(10-18)26-21-6-3-16(13-27)12-25-21/h3-10,12,15,27H,1-2,13-14H2,(H,24,25,26)
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n/an/a 46n/an/an/an/a7.530



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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144171
PNG
(US8969335, A107)
Show SMILES [C-]#[N+]c1cc(ccc1OCC1CC1)-c1ccnc(Nc2ccn(n2)C2CCNCC2)c1
Show InChI InChI=1S/C24H26N6O/c1-25-21-14-18(4-5-22(21)31-16-17-2-3-17)19-6-12-27-24(15-19)28-23-9-13-30(29-23)20-7-10-26-11-8-20/h4-6,9,12-15,17,20,26H,2-3,7-8,10-11,16H2,(H,27,28,29)
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n/an/a 50n/an/an/an/a7.530



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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144196
PNG
(US8969335, A20)
Show SMILES FC(F)Cn1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C22H21F2N5O2/c23-21(24)14-29-13-18(12-27-29)28-22-10-16(3-6-26-22)15-1-2-20(17(9-15)11-25)31-19-4-7-30-8-5-19/h1-3,6,9-10,12-13,19,21H,4-5,7-8,14H2,(H,26,28)
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n/an/a 51n/an/an/an/a7.530



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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144177
PNG
(US8969335, A113)
Show SMILES N#Cc1cc(ccc1CCC1CCC1)-c1ccnc(Nc2ccc(cn2)N2CCOCC2)c1
Show InChI InChI=1S/C27H29N5O/c28-18-24-16-22(7-6-21(24)5-4-20-2-1-3-20)23-10-11-29-27(17-23)31-26-9-8-25(19-30-26)32-12-14-33-15-13-32/h6-11,16-17,19-20H,1-5,12-15H2,(H,29,30,31)
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n/an/a 54n/an/an/an/a7.530



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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144196
PNG
(US8969335, A20)
Show SMILES FC(F)Cn1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C22H21F2N5O2/c23-21(24)14-29-13-18(12-27-29)28-22-10-16(3-6-26-22)15-1-2-20(17(9-15)11-25)31-19-4-7-30-8-5-19/h1-3,6,9-10,12-13,19,21H,4-5,7-8,14H2,(H,26,28)
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n/an/a 55n/an/an/an/a7.530



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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144208
PNG
(US8969335, A33)
Show SMILES Cn1ccc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)n1
Show InChI InChI=1S/C20H20N6O2/c1-26-9-5-19(25-26)24-20-22-8-4-17(23-20)14-2-3-18(15(12-14)13-21)28-16-6-10-27-11-7-16/h2-5,8-9,12,16H,6-7,10-11H2,1H3,(H,22,23,24,25)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144146
PNG
(US8969335, A83)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CCN3CCCC3)c2)n1
Show InChI InChI=1S/C25H29N7O2/c26-16-20-15-19(3-4-24(20)34-22-6-13-33-14-7-22)23-5-8-27-25(30-23)29-21-17-28-32(18-21)12-11-31-9-1-2-10-31/h3-5,8,15,17-18,22H,1-2,6-7,9-14H2,(H,27,29,30)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144218
PNG
(US8969335, A43)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CCn3cccn3)c2)n1
Show InChI InChI=1S/C24H24N8O2/c25-15-19-14-18(2-3-23(19)34-21-5-12-33-13-6-21)22-4-8-26-24(30-22)29-20-16-28-32(17-20)11-10-31-9-1-7-27-31/h1-4,7-9,14,16-17,21H,5-6,10-13H2,(H,26,29,30)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144176
PNG
(US8969335, A112)
Show SMILES [C-]#[N+]c1cc(ccc1OCC1CCC1)-c1ccnc(Nc2ccn(n2)C2CCNCC2)c1
Show InChI InChI=1S/C25H28N6O/c1-26-22-15-19(5-6-23(22)32-17-18-3-2-4-18)20-7-13-28-25(16-20)29-24-10-14-31(30-24)21-8-11-27-12-9-21/h5-7,10,13-16,18,21,27H,2-4,8-9,11-12,17H2,(H,28,29,30)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144169
PNG
(US8969335, A105)
Show SMILES COCCn1cc(Nc2cc(ccn2)-c2ccc(OCC3CC3)c(c2)C#N)cn1
Show InChI InChI=1S/C22H23N5O2/c1-28-9-8-27-14-20(13-25-27)26-22-11-18(6-7-24-22)17-4-5-21(19(10-17)12-23)29-15-16-2-3-16/h4-7,10-11,13-14,16H,2-3,8-9,15H2,1H3,(H,24,26)
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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))
BDBM144201
PNG
(US8969335, A25)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(c2)C2CNC2)c1
Show InChI InChI=1S/C23H24N6O2/c24-11-18-9-16(1-2-22(18)31-21-4-7-30-8-5-21)17-3-6-26-23(10-17)28-19-12-27-29(15-19)20-13-25-14-20/h1-3,6,9-10,12,15,20-21,25H,4-5,7-8,13-14H2,(H,26,28)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144197
PNG
(US8969335, A21)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CCC3CCNCC3)c2)c1
Show InChI InChI=1S/C27H32N6O2/c28-17-23-15-21(1-2-26(23)35-25-7-13-34-14-8-25)22-5-11-30-27(16-22)32-24-18-31-33(19-24)12-6-20-3-9-29-10-4-20/h1-2,5,11,15-16,18-20,25,29H,3-4,6-10,12-14H2,(H,30,32)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144218
PNG
(US8969335, A43)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CCn3cccn3)c2)n1
Show InChI InChI=1S/C24H24N8O2/c25-15-19-14-18(2-3-23(19)34-21-5-12-33-13-6-21)22-4-8-26-24(30-22)29-20-16-28-32(17-20)11-10-31-9-1-7-27-31/h1-4,7-9,14,16-17,21H,5-6,10-13H2,(H,26,29,30)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144193
PNG
(US8969335, A16)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(c2)C2CCNCC2)c1
Show InChI InChI=1S/C25H28N6O2/c26-15-20-13-18(1-2-24(20)33-23-6-11-32-12-7-23)19-3-10-28-25(14-19)30-21-16-29-31(17-21)22-4-8-27-9-5-22/h1-3,10,13-14,16-17,22-23,27H,4-9,11-12H2,(H,28,30)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144204
PNG
(US8969335, A28)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(c2)C2CCNC2)c1
Show InChI InChI=1S/C24H26N6O2/c25-13-19-11-17(1-2-23(19)32-22-5-9-31-10-6-22)18-3-8-27-24(12-18)29-20-14-28-30(16-20)21-4-7-26-15-21/h1-3,8,11-12,14,16,21-22,26H,4-7,9-10,15H2,(H,27,29)
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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))
BDBM144203
PNG
(US8969335, A27)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CC3CCOC3)c2)c1
Show InChI InChI=1S/C25H27N5O3/c26-13-21-11-19(1-2-24(21)33-23-5-9-31-10-6-23)20-3-7-27-25(12-20)29-22-14-28-30(16-22)15-18-4-8-32-17-18/h1-3,7,11-12,14,16,18,23H,4-6,8-10,15,17H2,(H,27,29)
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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))
BDBM144174
PNG
(US8969335, A110)
Show SMILES COCCn1cc(Nc2cc(ccn2)-c2ccc(OCC3CCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C23H25N5O2/c1-29-10-9-28-15-21(14-26-28)27-23-12-19(7-8-25-23)18-5-6-22(20(11-18)13-24)30-16-17-3-2-4-17/h5-8,11-12,14-15,17H,2-4,9-10,16H2,1H3,(H,25,27)
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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))
BDBM144129
PNG
(US8969335, A66)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ncc(cn2)C2CCNCC2)c1
Show InChI InChI=1S/C26H28N6O2/c27-15-21-13-19(1-2-24(21)34-23-6-11-33-12-7-23)20-5-10-29-25(14-20)32-26-30-16-22(17-31-26)18-3-8-28-9-4-18/h1-2,5,10,13-14,16-18,23,28H,3-4,6-9,11-12H2,(H,29,30,31,32)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144182
PNG
(US8969335, A2)
Show SMILES CN1CCC(CC1)n1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C26H30N6O2/c1-31-10-5-23(6-11-31)32-18-22(17-29-32)30-26-15-20(4-9-28-26)19-2-3-25(21(14-19)16-27)34-24-7-12-33-13-8-24/h2-4,9,14-15,17-18,23-24H,5-8,10-13H2,1H3,(H,28,30)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144203
PNG
(US8969335, A27)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CC3CCOC3)c2)c1
Show InChI InChI=1S/C25H27N5O3/c26-13-21-11-19(1-2-24(21)33-23-5-9-31-10-6-23)20-3-7-27-25(12-20)29-22-14-28-30(16-22)15-18-4-8-32-17-18/h1-3,7,11-12,14,16,18,23H,4-6,8-10,15,17H2,(H,27,29)
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n/an/a 85n/an/an/an/a7.530



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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144205
PNG
(US8969335, A29)
Show SMILES OCC(=O)N1CCC(CCn2cc(Nc3cc(ccn3)-c3ccc(OC4CCOCC4)c(c3)C#N)cn2)CC1
Show InChI InChI=1S/C29H34N6O4/c30-17-24-15-22(1-2-27(24)39-26-7-13-38-14-8-26)23-3-9-31-28(16-23)33-25-18-32-35(19-25)12-6-21-4-10-34(11-5-21)29(37)20-36/h1-3,9,15-16,18-19,21,26,36H,4-8,10-14,20H2,(H,31,33)
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n/an/a 88n/an/an/an/a7.530



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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))
BDBM144146
PNG
(US8969335, A83)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CCN3CCCC3)c2)n1
Show InChI InChI=1S/C25H29N7O2/c26-16-20-15-19(3-4-24(20)34-22-6-13-33-14-7-22)23-5-8-27-25(30-23)29-21-17-28-32(18-21)12-11-31-9-1-2-10-31/h3-5,8,15,17-18,22H,1-2,6-7,9-14H2,(H,27,29,30)
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n/an/a 88n/an/an/an/a7.530



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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144153
PNG
(US8969335, A90)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(nn2)N2CCOCC2)c1
Show InChI InChI=1S/C25H26N6O3/c26-17-20-15-18(1-2-22(20)34-21-6-11-32-12-7-21)19-5-8-27-24(16-19)28-23-3-4-25(30-29-23)31-9-13-33-14-10-31/h1-5,8,15-16,21H,6-7,9-14H2,(H,27,28,29)
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n/an/a 88n/an/an/an/a7.530



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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144175
PNG
(US8969335, A111)
Show SMILES OCc1ccc(Nc2cc(ccn2)-c2ccc(OCC3CCC3)c(c2)C#N)nc1
Show InChI InChI=1S/C23H22N4O2/c24-12-20-10-18(5-6-21(20)29-15-16-2-1-3-16)19-8-9-25-23(11-19)27-22-7-4-17(14-28)13-26-22/h4-11,13,16,28H,1-3,14-15H2,(H,25,26,27)
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Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144200
PNG
(US8969335, A24)
Show SMILES N#CC1CC1Cn1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C25H24N6O2/c26-12-19-10-21(19)15-31-16-22(14-29-31)30-25-11-18(3-6-28-25)17-1-2-24(20(9-17)13-27)33-23-4-7-32-8-5-23/h1-3,6,9,11,14,16,19,21,23H,4-5,7-8,10,15H2,(H,28,30)
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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))
BDBM144142
PNG
(US8969335, A79)
Show SMILES OCCn1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C22H23N5O3/c23-13-18-11-16(1-2-21(18)30-20-4-9-29-10-5-20)17-3-6-24-22(12-17)26-19-14-25-27(15-19)7-8-28/h1-3,6,11-12,14-15,20,28H,4-5,7-10H2,(H,24,26)
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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))
BDBM144168
PNG
(US8969335, A104)
Show SMILES N#Cc1cc(ccc1OCC1CC1)-c1ccnc(Nc2cn[nH]c2)c1
Show InChI InChI=1S/C19H17N5O/c20-9-16-7-14(3-4-18(16)25-12-13-1-2-13)15-5-6-21-19(8-15)24-17-10-22-23-11-17/h3-8,10-11,13H,1-2,12H2,(H,21,24)(H,22,23)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144184
PNG
(US8969335, A5)
Show SMILES Cn1ccc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)n1
Show InChI InChI=1S/C21H21N5O2/c1-26-9-5-20(25-26)24-21-13-16(4-8-23-21)15-2-3-19(17(12-15)14-22)28-18-6-10-27-11-7-18/h2-5,8-9,12-13,18H,6-7,10-11H2,1H3,(H,23,24,25)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144153
PNG
(US8969335, A90)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(nn2)N2CCOCC2)c1
Show InChI InChI=1S/C25H26N6O3/c26-17-20-15-18(1-2-22(20)34-21-6-11-32-12-7-21)19-5-8-27-24(16-19)28-23-3-4-25(30-29-23)31-9-13-33-14-10-31/h1-5,8,15-16,21H,6-7,9-14H2,(H,27,28,29)
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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))
BDBM144186
PNG
(US8969335, A9)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(cn2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C25H22N6O2/c26-13-20-11-17(1-3-23(20)33-22-6-9-32-10-7-22)18-5-8-27-25(12-18)31-24-4-2-19(14-28-24)21-15-29-30-16-21/h1-5,8,11-12,14-16,22H,6-7,9-10H2,(H,29,30)(H,27,28,31)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144129
PNG
(US8969335, A66)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ncc(cn2)C2CCNCC2)c1
Show InChI InChI=1S/C26H28N6O2/c27-15-21-13-19(1-2-24(21)34-23-6-11-33-12-7-23)20-5-10-29-25(14-20)32-26-30-16-22(17-31-26)18-3-8-28-9-4-18/h1-2,5,10,13-14,16-18,23,28H,3-4,6-9,11-12H2,(H,29,30,31,32)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144198
PNG
(US8969335, A22)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CCN3CCOCC3)c2)c1
Show InChI InChI=1S/C26H30N6O3/c27-17-22-15-20(1-2-25(22)35-24-4-11-33-12-5-24)21-3-6-28-26(16-21)30-23-18-29-32(19-23)8-7-31-9-13-34-14-10-31/h1-3,6,15-16,18-19,24H,4-5,7-14H2,(H,28,30)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144184
PNG
(US8969335, A5)
Show SMILES Cn1ccc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)n1
Show InChI InChI=1S/C21H21N5O2/c1-26-9-5-20(25-26)24-21-13-16(4-8-23-21)15-2-3-19(17(12-15)14-22)28-18-6-10-27-11-7-18/h2-5,8-9,12-13,18H,6-7,10-11H2,1H3,(H,23,24,25)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144200
PNG
(US8969335, A24)
Show SMILES N#CC1CC1Cn1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C25H24N6O2/c26-12-19-10-21(19)15-31-16-22(14-29-31)30-25-11-18(3-6-28-25)17-1-2-24(20(9-17)13-27)33-23-4-7-32-8-5-23/h1-3,6,9,11,14,16,19,21,23H,4-5,7-8,10,15H2,(H,28,30)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144142
PNG
(US8969335, A79)
Show SMILES OCCn1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C22H23N5O3/c23-13-18-11-16(1-2-21(18)30-20-4-9-29-10-5-20)17-3-6-24-22(12-17)26-19-14-25-27(15-19)7-8-28/h1-3,6,11-12,14-15,20,28H,4-5,7-10H2,(H,24,26)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144152
PNG
(US8969335, A89)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2nccc(n2)C2CCNCC2)c1
Show InChI InChI=1S/C26H28N6O2/c27-17-21-15-19(1-2-24(21)34-22-7-13-33-14-8-22)20-5-11-29-25(16-20)32-26-30-12-6-23(31-26)18-3-9-28-10-4-18/h1-2,5-6,11-12,15-16,18,22,28H,3-4,7-10,13-14H2,(H,29,30,31,32)
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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))
BDBM144128
PNG
(US8969335, A65)
Show SMILES OC(=O)c1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1
Show InChI InChI=1S/C23H20N4O4/c24-14-18-11-15(1-2-20(18)31-19-5-9-30-10-6-19)16-3-7-25-21(12-16)27-22-13-17(23(28)29)4-8-26-22/h1-4,7-8,11-13,19H,5-6,9-10H2,(H,28,29)(H,25,26,27)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144186
PNG
(US8969335, A9)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(cn2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C25H22N6O2/c26-13-20-11-17(1-3-23(20)33-22-6-9-32-10-7-22)18-5-8-27-25(12-18)31-24-4-2-19(14-28-24)21-15-29-30-16-21/h1-5,8,11-12,14-16,22H,6-7,9-10H2,(H,29,30)(H,27,28,31)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144205
PNG
(US8969335, A29)
Show SMILES OCC(=O)N1CCC(CCn2cc(Nc3cc(ccn3)-c3ccc(OC4CCOCC4)c(c3)C#N)cn2)CC1
Show InChI InChI=1S/C29H34N6O4/c30-17-24-15-22(1-2-27(24)39-26-7-13-38-14-8-26)23-3-9-31-28(16-23)33-25-18-32-35(19-25)12-6-21-4-10-34(11-5-21)29(37)20-36/h1-3,9,15-16,18-19,21,26,36H,4-8,10-14,20H2,(H,31,33)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144199
PNG
(US8969335, A23)
Show SMILES COCCCn1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C24H27N5O3/c1-30-10-2-9-29-17-21(16-27-29)28-24-14-19(5-8-26-24)18-3-4-23(20(13-18)15-25)32-22-6-11-31-12-7-22/h3-5,8,13-14,16-17,22H,2,6-7,9-12H2,1H3,(H,26,28)
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n/an/a 120n/an/an/an/a7.530



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Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144177
PNG
(US8969335, A113)
Show SMILES N#Cc1cc(ccc1CCC1CCC1)-c1ccnc(Nc2ccc(cn2)N2CCOCC2)c1
Show InChI InChI=1S/C27H29N5O/c28-18-24-16-22(7-6-21(24)5-4-20-2-1-3-20)23-10-11-29-27(17-23)31-26-9-8-25(19-30-26)32-12-14-33-15-13-32/h6-11,16-17,19-20H,1-5,12-15H2,(H,29,30,31)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144208
PNG
(US8969335, A33)
Show SMILES Cn1ccc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)n1
Show InChI InChI=1S/C20H20N6O2/c1-26-9-5-19(25-26)24-20-22-8-4-17(23-20)14-2-3-18(15(12-14)13-21)28-16-6-10-27-11-7-16/h2-5,8-9,12,16H,6-7,10-11H2,1H3,(H,22,23,24,25)
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n/an/a 130n/an/an/an/a7.530



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Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144173
PNG
(US8969335, A109)
Show SMILES N#Cc1cc(ccc1OCC1CCC1)-c1ccnc(Nc2cn[nH]c2)c1
Show InChI InChI=1S/C20H19N5O/c21-10-17-8-15(4-5-19(17)26-13-14-2-1-3-14)16-6-7-22-20(9-16)25-18-11-23-24-12-18/h4-9,11-12,14H,1-3,13H2,(H,22,25)(H,23,24)
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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))
BDBM144133
PNG
(US8969335, A70)
Show SMILES OCc1ccnc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1
Show InChI InChI=1S/C22H21N5O3/c23-13-17-12-16(1-2-20(17)30-18-5-9-29-10-6-18)19-4-8-25-22(26-19)27-21-11-15(14-28)3-7-24-21/h1-4,7-8,11-12,18,28H,5-6,9-10,14H2,(H,24,25,26,27)
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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))
BDBM144211
PNG
(US8969335, A36)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ncc3CNCCc3n2)c1
Show InChI InChI=1S/C24H24N6O2/c25-13-18-11-16(1-2-22(18)32-20-5-9-31-10-6-20)17-3-8-27-23(12-17)30-24-28-15-19-14-26-7-4-21(19)29-24/h1-3,8,11-12,15,20,26H,4-7,9-10,14H2,(H,27,28,29,30)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144152
PNG
(US8969335, A89)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2nccc(n2)C2CCNCC2)c1
Show InChI InChI=1S/C26H28N6O2/c27-17-21-15-19(1-2-24(21)34-22-7-13-33-14-8-22)20-5-11-29-25(16-20)32-26-30-12-6-23(31-26)18-3-9-28-10-4-18/h1-2,5-6,11-12,15-16,18,22,28H,3-4,7-10,13-14H2,(H,29,30,31,32)
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Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144145
PNG
(US8969335, A82)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cc(ccn2)N2CCOCC2)c1
Show InChI InChI=1S/C26H27N5O3/c27-18-21-15-19(1-2-24(21)34-23-5-11-32-12-6-23)20-3-7-28-25(16-20)30-26-17-22(4-8-29-26)31-9-13-33-14-10-31/h1-4,7-8,15-17,23H,5-6,9-14H2,(H,28,29,30)
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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))
BDBM144198
PNG
(US8969335, A22)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CCN3CCOCC3)c2)c1
Show InChI InChI=1S/C26H30N6O3/c27-17-22-15-20(1-2-25(22)35-24-4-11-33-12-5-24)21-3-6-28-26(16-21)30-23-18-29-32(19-23)8-7-31-9-13-34-14-10-31/h1-3,6,15-16,18-19,24H,4-5,7-14H2,(H,28,30)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144131
PNG
(US8969335, A68)
Show SMILES Cn1nc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1=O
Show InChI InChI=1S/C21H20N6O3/c1-27-20(28)5-4-19(26-27)25-21-23-9-6-17(24-21)14-2-3-18(15(12-14)13-22)30-16-7-10-29-11-8-16/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,23,24,25,26)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144199
PNG
(US8969335, A23)
Show SMILES COCCCn1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C24H27N5O3/c1-30-10-2-9-29-17-21(16-27-29)28-24-14-19(5-8-26-24)18-3-4-23(20(13-18)15-25)32-22-6-11-31-12-7-22/h3-5,8,13-14,16-17,22H,2,6-7,9-12H2,1H3,(H,26,28)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144128
PNG
(US8969335, A65)
Show SMILES OC(=O)c1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1
Show InChI InChI=1S/C23H20N4O4/c24-14-18-11-15(1-2-20(18)31-19-5-9-30-10-6-19)16-3-7-25-21(12-16)27-22-13-17(23(28)29)4-8-26-22/h1-4,7-8,11-13,19H,5-6,9-10H2,(H,28,29)(H,25,26,27)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144133
PNG
(US8969335, A70)
Show SMILES OCc1ccnc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1
Show InChI InChI=1S/C22H21N5O3/c23-13-17-12-16(1-2-20(17)30-18-5-9-29-10-6-18)19-4-8-25-22(26-19)27-21-11-15(14-28)3-7-24-21/h1-4,7-8,11-12,18,28H,5-6,9-10,14H2,(H,24,25,26,27)
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Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144180
PNG
(US8969335, A116)
Show SMILES CC(=O)N1CCC(COc2ccc(cc2[N+]#[C-])-c2ccnc(Nc3cnn(c3)C3CCNCC3)c2)CC1
Show InChI InChI=1S/C28H33N7O2/c1-20(36)34-13-8-21(9-14-34)19-37-27-4-3-22(15-26(27)29-2)23-5-12-31-28(16-23)33-24-17-32-35(18-24)25-6-10-30-11-7-25/h3-5,12,15-18,21,25,30H,6-11,13-14,19H2,1H3,(H,31,33)
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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))
BDBM144131
PNG
(US8969335, A68)
Show SMILES Cn1nc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1=O
Show InChI InChI=1S/C21H20N6O3/c1-27-20(28)5-4-19(26-27)25-21-23-9-6-17(24-21)14-2-3-18(15(12-14)13-22)30-16-7-10-29-11-8-16/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,23,24,25,26)
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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))
BDBM144175
PNG
(US8969335, A111)
Show SMILES OCc1ccc(Nc2cc(ccn2)-c2ccc(OCC3CCC3)c(c2)C#N)nc1
Show InChI InChI=1S/C23H22N4O2/c24-12-20-10-18(5-6-21(20)29-15-16-2-1-3-16)19-8-9-25-23(11-19)27-22-7-4-17(14-28)13-26-22/h4-11,13,16,28H,1-3,14-15H2,(H,25,26,27)
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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))
BDBM144147
PNG
(US8969335, A84)
Show SMILES CN1CCN(CC1)c1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1
Show InChI InChI=1S/C27H30N6O2/c1-32-10-12-33(13-11-32)23-5-9-30-27(18-23)31-26-17-21(4-8-29-26)20-2-3-25(22(16-20)19-28)35-24-6-14-34-15-7-24/h2-5,8-9,16-18,24H,6-7,10-15H2,1H3,(H,29,30,31)
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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))
BDBM144143
PNG
(US8969335, A80)
Show SMILES Cc1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)no1
Show InChI InChI=1S/C20H19N5O3/c1-13-10-19(25-28-13)24-20-22-7-4-17(23-20)14-2-3-18(15(11-14)12-21)27-16-5-8-26-9-6-16/h2-4,7,10-11,16H,5-6,8-9H2,1H3,(H,22,23,24,25)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144169
PNG
(US8969335, A105)
Show SMILES COCCn1cc(Nc2cc(ccn2)-c2ccc(OCC3CC3)c(c2)C#N)cn1
Show InChI InChI=1S/C22H23N5O2/c1-28-9-8-27-14-20(13-25-27)26-22-11-18(6-7-24-22)17-4-5-21(19(10-17)12-23)29-15-16-2-3-16/h4-7,10-11,13-14,16H,2-3,8-9,15H2,1H3,(H,24,26)
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Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144145
PNG
(US8969335, A82)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cc(ccn2)N2CCOCC2)c1
Show InChI InChI=1S/C26H27N5O3/c27-18-21-15-19(1-2-24(21)34-23-5-11-32-12-6-23)20-3-7-28-25(16-20)30-26-17-22(4-8-29-26)31-9-13-33-14-10-31/h1-4,7-8,15-17,23H,5-6,9-14H2,(H,28,29,30)
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Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144143
PNG
(US8969335, A80)
Show SMILES Cc1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)no1
Show InChI InChI=1S/C20H19N5O3/c1-13-10-19(25-28-13)24-20-22-7-4-17(23-20)14-2-3-18(15(11-14)12-21)27-16-5-8-26-9-6-16/h2-4,7,10-11,16H,5-6,8-9H2,1H3,(H,22,23,24,25)
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Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144188
PNG
(US8969335, A11)
Show SMILES N#Cc1ccc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)nc1
Show InChI InChI=1S/C23H19N5O2/c24-13-16-1-4-22(27-15-16)28-23-12-18(5-8-26-23)17-2-3-21(19(11-17)14-25)30-20-6-9-29-10-7-20/h1-5,8,11-12,15,20H,6-7,9-10H2,(H,26,27,28)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144188
PNG
(US8969335, A11)
Show SMILES N#Cc1ccc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)nc1
Show InChI InChI=1S/C23H19N5O2/c24-13-16-1-4-22(27-15-16)28-23-12-18(5-8-26-23)17-2-3-21(19(11-17)14-25)30-20-6-9-29-10-7-20/h1-5,8,11-12,15,20H,6-7,9-10H2,(H,26,27,28)
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Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM47117
PNG
(US8969335, A3)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cncc(c2)-c2cccnc2)c1
Show InChI InChI=1S/C27H23N5O2/c28-15-22-12-19(3-4-26(22)34-25-6-10-33-11-7-25)20-5-9-31-27(14-20)32-24-13-23(17-30-18-24)21-2-1-8-29-16-21/h1-5,8-9,12-14,16-18,25H,6-7,10-11H2,(H,31,32)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144204
PNG
(US8969335, A28)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(c2)C2CCNC2)c1
Show InChI InChI=1S/C24H26N6O2/c25-13-19-11-17(1-2-23(19)32-22-5-9-31-10-6-22)18-3-8-27-24(12-18)29-20-14-28-30(16-20)21-4-7-26-15-21/h1-3,8,11-12,14,16,21-22,26H,4-7,9-10,15H2,(H,27,29)
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Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144201
PNG
(US8969335, A25)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(c2)C2CNC2)c1
Show InChI InChI=1S/C23H24N6O2/c24-11-18-9-16(1-2-22(18)31-21-4-7-30-8-5-21)17-3-6-26-23(10-17)28-19-12-27-29(15-19)20-13-25-14-20/h1-3,6,9-10,12,15,20-21,25H,4-5,7-8,13-14H2,(H,26,28)
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Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144149
PNG
(US8969335, A86)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cc(ccn2)C2=CCCCO2)c1 |t:30|
Show InChI InChI=1S/C27H26N4O3/c28-18-22-15-19(4-5-25(22)34-23-8-13-32-14-9-23)20-6-10-29-26(16-20)31-27-17-21(7-11-30-27)24-3-1-2-12-33-24/h3-7,10-11,15-17,23H,1-2,8-9,12-14H2,(H,29,30,31)
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Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144150
PNG
(US8969335, A87)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2nc(cs2)C2CC2)n1
Show InChI InChI=1S/C22H21N5O2S/c23-12-16-11-15(3-4-20(16)29-17-6-9-28-10-7-17)18-5-8-24-21(25-18)27-22-26-19(13-30-22)14-1-2-14/h3-5,8,11,13-14,17H,1-2,6-7,9-10H2,(H,24,25,26,27)
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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))
BDBM144149
PNG
(US8969335, A86)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cc(ccn2)C2=CCCCO2)c1 |t:30|
Show InChI InChI=1S/C27H26N4O3/c28-18-22-15-19(4-5-25(22)34-23-8-13-32-14-9-23)20-6-10-29-26(16-20)31-27-17-21(7-11-30-27)24-3-1-2-12-33-24/h3-7,10-11,15-17,23H,1-2,8-9,12-14H2,(H,29,30,31)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144150
PNG
(US8969335, A87)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2nc(cs2)C2CC2)n1
Show InChI InChI=1S/C22H21N5O2S/c23-12-16-11-15(3-4-20(16)29-17-6-9-28-10-7-17)18-5-8-24-21(25-18)27-22-26-19(13-30-22)14-1-2-14/h3-5,8,11,13-14,17H,1-2,6-7,9-10H2,(H,24,25,26,27)
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Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144190
PNG
(US8969335, A13)
Show SMILES FC(F)(F)c1ccc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)nc1
Show InChI InChI=1S/C23H19F3N4O2/c24-23(25,26)18-2-4-21(29-14-18)30-22-12-16(5-8-28-22)15-1-3-20(17(11-15)13-27)32-19-6-9-31-10-7-19/h1-5,8,11-12,14,19H,6-7,9-10H2,(H,28,29,30)
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Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144156
PNG
(US8969335, A93)
Show SMILES Cc1coc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)n1
Show InChI InChI=1S/C20H19N5O3/c1-13-12-27-20(23-13)25-19-22-7-4-17(24-19)14-2-3-18(15(10-14)11-21)28-16-5-8-26-9-6-16/h2-4,7,10,12,16H,5-6,8-9H2,1H3,(H,22,23,24,25)
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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))
BDBM144213
PNG
(US8969335, A38)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CCn3cccn3)c2)c1
Show InChI InChI=1S/C25H25N7O2/c26-16-21-14-19(2-3-24(21)34-23-5-12-33-13-6-23)20-4-8-27-25(15-20)30-22-17-29-32(18-22)11-10-31-9-1-7-28-31/h1-4,7-9,14-15,17-18,23H,5-6,10-13H2,(H,27,30)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144148
PNG
(US8969335, A85)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cncc(n2)N2CCOCC2)c1
Show InChI InChI=1S/C25H26N6O3/c26-15-20-13-18(1-2-22(20)34-21-4-9-32-10-5-21)19-3-6-28-23(14-19)29-24-16-27-17-25(30-24)31-7-11-33-12-8-31/h1-3,6,13-14,16-17,21H,4-5,7-12H2,(H,28,29,30)
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Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144165
PNG
(US8969335, A102)
Show SMILES OCc1nccnc1Nc1cc(ccn1)-c1ccc(OC2CCOCC2)c(c1)C#N
Show InChI InChI=1S/C22H21N5O3/c23-13-17-11-15(1-2-20(17)30-18-4-9-29-10-5-18)16-3-6-25-21(12-16)27-22-19(14-28)24-7-8-26-22/h1-3,6-8,11-12,18,28H,4-5,9-10,14H2,(H,25,26,27)
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Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144147
PNG
(US8969335, A84)
Show SMILES CN1CCN(CC1)c1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1
Show InChI InChI=1S/C27H30N6O2/c1-32-10-12-33(13-11-32)23-5-9-30-27(18-23)31-26-17-21(4-8-29-26)20-2-3-25(22(16-20)19-28)35-24-6-14-34-15-7-24/h2-5,8-9,16-18,24H,6-7,10-15H2,1H3,(H,29,30,31)
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Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM47117
PNG
(US8969335, A3)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cncc(c2)-c2cccnc2)c1
Show InChI InChI=1S/C27H23N5O2/c28-15-22-12-19(3-4-26(22)34-25-6-10-33-11-7-25)20-5-9-31-27(14-20)32-24-13-23(17-30-18-24)21-2-1-8-29-16-21/h1-5,8-9,12-14,16-18,25H,6-7,10-11H2,(H,31,32)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144173
PNG
(US8969335, A109)
Show SMILES N#Cc1cc(ccc1OCC1CCC1)-c1ccnc(Nc2cn[nH]c2)c1
Show InChI InChI=1S/C20H19N5O/c21-10-17-8-15(4-5-19(17)26-13-14-2-1-3-14)16-6-7-22-20(9-16)25-18-11-23-24-12-18/h4-9,11-12,14H,1-3,13H2,(H,22,25)(H,23,24)
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Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144195
PNG
(US8969335, A19)
Show SMILES NC(=O)c1cc2cc(Nc3cc(ccn3)-c3ccc(OC4CCOCC4)c(c3)C#N)ccc2o1
Show InChI InChI=1S/C26H22N4O4/c27-15-19-11-16(1-3-23(19)33-21-6-9-32-10-7-21)17-5-8-29-25(14-17)30-20-2-4-22-18(12-20)13-24(34-22)26(28)31/h1-5,8,11-14,21H,6-7,9-10H2,(H2,28,31)(H,29,30)
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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))
BDBM144148
PNG
(US8969335, A85)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cncc(n2)N2CCOCC2)c1
Show InChI InChI=1S/C25H26N6O3/c26-15-20-13-18(1-2-22(20)34-21-4-9-32-10-5-21)19-3-6-28-23(14-19)29-24-16-27-17-25(30-24)31-7-11-33-12-8-31/h1-3,6,13-14,16-17,21H,4-5,7-12H2,(H,28,29,30)
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n/an/a 390n/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))
BDBM144165
PNG
(US8969335, A102)
Show SMILES OCc1nccnc1Nc1cc(ccn1)-c1ccc(OC2CCOCC2)c(c1)C#N
Show InChI InChI=1S/C22H21N5O3/c23-13-17-11-15(1-2-20(17)30-18-4-9-29-10-5-18)16-3-6-25-21(12-16)27-22-19(14-28)24-7-8-26-22/h1-3,6-8,11-12,18,28H,4-5,9-10,14H2,(H,25,26,27)
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n/an/a 430n/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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144168
PNG
(US8969335, A104)
Show SMILES N#Cc1cc(ccc1OCC1CC1)-c1ccnc(Nc2cn[nH]c2)c1
Show InChI InChI=1S/C19H17N5O/c20-9-16-7-14(3-4-18(16)25-12-13-1-2-13)15-5-6-21-19(8-15)24-17-10-22-23-11-17/h3-8,10-11,13H,1-2,12H2,(H,21,24)(H,22,23)
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n/an/a 460n/an/an/an/a7.530



MERCK PATENT GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144213
PNG
(US8969335, A38)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CCn3cccn3)c2)c1
Show InChI InChI=1S/C25H25N7O2/c26-16-21-14-19(2-3-24(21)34-23-5-12-33-13-6-23)20-4-8-27-25(15-20)30-22-17-29-32(18-22)11-10-31-9-1-7-28-31/h1-4,7-9,14-15,17-18,23H,5-6,10-13H2,(H,27,30)
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n/an/a 460n/an/an/an/a7.530



MERCK PATENT GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144174
PNG
(US8969335, A110)
Show SMILES COCCn1cc(Nc2cc(ccn2)-c2ccc(OCC3CCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C23H25N5O2/c1-29-10-9-28-15-21(14-26-28)27-23-12-19(7-8-25-23)18-5-6-22(20(11-18)13-24)30-16-17-3-2-4-17/h5-8,11-12,14-15,17H,2-4,9-10,16H2,1H3,(H,25,27)
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n/an/a 490n/an/an/an/a7.530



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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144190
PNG
(US8969335, A13)
Show SMILES FC(F)(F)c1ccc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)nc1
Show InChI InChI=1S/C23H19F3N4O2/c24-23(25,26)18-2-4-21(29-14-18)30-22-12-16(5-8-28-22)15-1-3-20(17(11-15)13-27)32-19-6-9-31-10-7-19/h1-5,8,11-12,14,19H,6-7,9-10H2,(H,28,29,30)
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n/an/a 530n/an/an/an/a7.530



MERCK PATENT GmbH

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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144156
PNG
(US8969335, A93)
Show SMILES Cc1coc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)n1
Show InChI InChI=1S/C20H19N5O3/c1-13-12-27-20(23-13)25-19-22-7-4-17(24-19)14-2-3-18(15(10-14)11-21)28-16-5-8-26-9-6-16/h2-4,7,10,12,16H,5-6,8-9H2,1H3,(H,22,23,24,25)
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n/an/a 550n/an/an/an/a7.530



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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144181
PNG
(US8969335, A117)
Show SMILES CC(=O)N1CCC(COc2ccc(cc2[N+]#[C-])-c2ccnc(Nc3ccc(cn3)N3CCOCC3)c2)CC1
Show InChI InChI=1S/C29H32N6O3/c1-21(36)34-11-8-22(9-12-34)20-38-27-5-3-23(17-26(27)30-2)24-7-10-31-29(18-24)33-28-6-4-25(19-32-28)35-13-15-37-16-14-35/h3-7,10,17-19,22H,8-9,11-16,20H2,1H3,(H,31,32,33)
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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))
BDBM144178
PNG
(US8969335, A114)
Show SMILES COCCn1cc(Nc2cc(ccn2)-c2ccc(OCC3CCN(CC3)C(C)=O)c(c2)[N+]#[C-])cn1
Show InChI InChI=1S/C26H30N6O3/c1-19(33)31-10-7-20(8-11-31)18-35-25-5-4-21(14-24(25)27-2)22-6-9-28-26(15-22)30-23-16-29-32(17-23)12-13-34-3/h4-6,9,14-17,20H,7-8,10-13,18H2,1,3H3,(H,28,30)
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n/an/a 650n/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))
BDBM144132
PNG
(US8969335, A69)
Show SMILES O=c1ccc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)n[nH]1
Show InChI InChI=1S/C20H18N6O3/c21-12-14-11-13(1-2-17(14)29-15-6-9-28-10-7-15)16-5-8-22-20(23-16)24-18-3-4-19(27)26-25-18/h1-5,8,11,15H,6-7,9-10H2,(H,26,27)(H,22,23,24,25)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144191
PNG
(US8969335, A14)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ncccn2)c1
Show InChI InChI=1S/C21H19N5O2/c22-14-17-12-15(2-3-19(17)28-18-5-10-27-11-6-18)16-4-9-23-20(13-16)26-21-24-7-1-8-25-21/h1-4,7-9,12-13,18H,5-6,10-11H2,(H,23,24,25,26)
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n/an/a 670n/an/an/an/a7.530



MERCK PATENT GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144181
PNG
(US8969335, A117)
Show SMILES CC(=O)N1CCC(COc2ccc(cc2[N+]#[C-])-c2ccnc(Nc3ccc(cn3)N3CCOCC3)c2)CC1
Show InChI InChI=1S/C29H32N6O3/c1-21(36)34-11-8-22(9-12-34)20-38-27-5-3-23(17-26(27)30-2)24-7-10-31-29(18-24)33-28-6-4-25(19-32-28)35-13-15-37-16-14-35/h3-7,10,17-19,22H,8-9,11-16,20H2,1H3,(H,31,32,33)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144155
PNG
(US8969335, A92)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cncc(n2)C2=CCCCO2)c1 |t:30|
Show InChI InChI=1S/C26H25N5O3/c27-15-20-13-18(4-5-23(20)34-21-7-11-32-12-8-21)19-6-9-29-25(14-19)31-26-17-28-16-22(30-26)24-3-1-2-10-33-24/h3-6,9,13-14,16-17,21H,1-2,7-8,10-12H2,(H,29,30,31)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144207
PNG
(US8969335, A31)
Show SMILES CC(C)(C)c1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)on1
Show InChI InChI=1S/C24H26N4O3/c1-24(2,3)21-14-23(31-28-21)27-22-13-17(6-9-26-22)16-4-5-20(18(12-16)15-25)30-19-7-10-29-11-8-19/h4-6,9,12-14,19H,7-8,10-11H2,1-3H3,(H,26,27)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144207
PNG
(US8969335, A31)
Show SMILES CC(C)(C)c1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)on1
Show InChI InChI=1S/C24H26N4O3/c1-24(2,3)21-14-23(31-28-21)27-22-13-17(6-9-26-22)16-4-5-20(18(12-16)15-25)30-19-7-10-29-11-8-19/h4-6,9,12-14,19H,7-8,10-11H2,1-3H3,(H,26,27)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


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))
BDBM144155
PNG
(US8969335, A92)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cncc(n2)C2=CCCCO2)c1 |t:30|
Show InChI InChI=1S/C26H25N5O3/c27-15-20-13-18(4-5-23(20)34-21-7-11-32-12-8-21)19-6-9-29-25(14-19)31-26-17-28-16-22(30-26)24-3-1-2-10-33-24/h3-6,9,13-14,16-17,21H,1-2,7-8,10-12H2,(H,29,30,31)
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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))
BDBM144179
PNG
(US8969335, A115)
Show SMILES CC(=O)N1CCC(COc2ccc(cc2[N+]#[C-])-c2ccnc(Nc3ccc(CO)cn3)c2)CC1
Show InChI InChI=1S/C26H27N5O3/c1-18(33)31-11-8-19(9-12-31)17-34-24-5-4-21(13-23(24)27-2)22-7-10-28-26(14-22)30-25-6-3-20(16-32)15-29-25/h3-7,10,13-15,19,32H,8-9,11-12,16-17H2,1H3,(H,28,29,30)
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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))
BDBM144191
PNG
(US8969335, A14)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ncccn2)c1
Show InChI InChI=1S/C21H19N5O2/c22-14-17-12-15(2-3-19(17)28-18-5-10-27-11-6-18)16-4-9-23-20(13-16)26-21-24-7-1-8-25-21/h1-4,7-9,12-13,18H,5-6,10-11H2,(H,23,24,25,26)
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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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144179
PNG
(US8969335, A115)
Show SMILES CC(=O)N1CCC(COc2ccc(cc2[N+]#[C-])-c2ccnc(Nc3ccc(CO)cn3)c2)CC1
Show InChI InChI=1S/C26H27N5O3/c1-18(33)31-11-8-19(9-12-31)17-34-24-5-4-21(13-23(24)27-2)22-7-10-28-26(14-22)30-25-6-3-20(16-32)15-29-25/h3-7,10,13-15,19,32H,8-9,11-12,16-17H2,1H3,(H,28,29,30)
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Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144132
PNG
(US8969335, A69)
Show SMILES O=c1ccc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)n[nH]1
Show InChI InChI=1S/C20H18N6O3/c21-12-14-11-13(1-2-17(14)29-15-6-9-28-10-7-15)16-5-8-22-20(23-16)24-18-3-4-19(27)26-25-18/h1-5,8,11,15H,6-7,9-10H2,(H,26,27)(H,22,23,24,25)
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n/an/a 1.60E+3n/an/an/an/a7.530



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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144195
PNG
(US8969335, A19)
Show SMILES NC(=O)c1cc2cc(Nc3cc(ccn3)-c3ccc(OC4CCOCC4)c(c3)C#N)ccc2o1
Show InChI InChI=1S/C26H22N4O4/c27-15-19-11-16(1-3-23(19)33-21-6-9-32-10-7-21)17-5-8-29-25(14-17)30-20-2-4-22-18(12-20)13-24(34-22)26(28)31/h1-5,8,11-14,21H,6-7,9-10H2,(H2,28,31)(H,29,30)
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US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144178
PNG
(US8969335, A114)
Show SMILES COCCn1cc(Nc2cc(ccn2)-c2ccc(OCC3CCN(CC3)C(C)=O)c(c2)[N+]#[C-])cn1
Show InChI InChI=1S/C26H30N6O3/c1-19(33)31-10-7-20(8-11-31)18-35-25-5-4-21(14-24(25)27-2)22-6-9-28-26(15-22)30-23-16-29-32(17-23)12-13-34-3/h4-6,9,14-17,20H,7-8,10-13,18H2,1,3H3,(H,28,30)
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n/an/a 5.50E+3n/an/an/an/a7.530



MERCK PATENT GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144180
PNG
(US8969335, A116)
Show SMILES CC(=O)N1CCC(COc2ccc(cc2[N+]#[C-])-c2ccnc(Nc3cnn(c3)C3CCNCC3)c2)CC1
Show InChI InChI=1S/C28H33N7O2/c1-20(36)34-13-8-21(9-14-34)19-37-27-4-3-22(15-26(27)29-2)23-5-12-31-28(16-23)33-24-17-32-35(18-24)25-6-10-30-11-7-25/h3-5,12,15-18,21,25,30H,6-11,13-14,19H2,1H3,(H,31,33)
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n/an/a 6.60E+3n/an/an/an/a7.530



MERCK PATENT GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%