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Patent code US9903855

Compile Data Set for Download or QSAR
Found 20 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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM373532
PNG
(US9903855, Molecule 1)
Show SMILES OC(=O)\C=C\c1ccc2c(onc2c1)-c1ccccc1
Show InChI InChI=1S/C16H11NO3/c18-15(19)9-7-11-6-8-13-14(10-11)17-20-16(13)12-4-2-1-3-5-12/h1-10H,(H,18,19)/b9-7+
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n/an/a 440n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
Please see Hutti, et al., (2012). Development of a High-Throughput Assay for Identifying Inhibitors of TBK1 and IKKε.


US Patent US9903855 (2018)

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


(Homo sapiens (Human))
BDBM373534
PNG
(US9903855, Molecule 2)
Show SMILES Nc1c([nH]c2nc3\C(CCc3c(-c3ccco3)c12)=C\c1ccco1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H19N3O3/c27-22-21-20(19-9-5-13-32-19)18-11-10-16(14-17-8-4-12-31-17)23(18)28-26(21)29-24(22)25(30)15-6-2-1-3-7-15/h1-9,12-14H,10-11,27H2,(H,28,29)/b16-14+
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n/an/a 500n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
Please see Hutti, et al., (2012). Development of a High-Throughput Assay for Identifying Inhibitors of TBK1 and IKKε.


US Patent US9903855 (2018)

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


(Homo sapiens (Human))
BDBM373536
PNG
(US9903855, Molecule 3)
Show SMILES CCOc1ccc(NCc2ccc(O)c3ncccc23)cc1
Show InChI InChI=1S/C18H18N2O2/c1-2-22-15-8-6-14(7-9-15)20-12-13-5-10-17(21)18-16(13)4-3-11-19-18/h3-11,20-21H,2,12H2,1H3
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n/an/a 640n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
Please see Hutti, et al., (2012). Development of a High-Throughput Assay for Identifying Inhibitors of TBK1 and IKKε.


US Patent US9903855 (2018)

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


(Homo sapiens (Human))
BDBM373537
PNG
(US9903855, Molecule 4)
Show SMILES Oc1nc(nc(-c2ccc3OCOc3c2)c1C#N)N1CCCCC1
Show InChI InChI=1S/C17H16N4O3/c18-9-12-15(11-4-5-13-14(8-11)24-10-23-13)19-17(20-16(12)22)21-6-2-1-3-7-21/h4-5,8H,1-3,6-7,10H2,(H,19,20,22)
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n/an/a 670n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
Please see Hutti, et al., (2012). Development of a High-Throughput Assay for Identifying Inhibitors of TBK1 and IKKε.


US Patent US9903855 (2018)

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


(Homo sapiens (Human))
BDBM373532
PNG
(US9903855, Molecule 1)
Show SMILES OC(=O)\C=C\c1ccc2c(onc2c1)-c1ccccc1
Show InChI InChI=1S/C16H11NO3/c18-15(19)9-7-11-6-8-13-14(10-11)17-20-16(13)12-4-2-1-3-5-12/h1-10H,(H,18,19)/b9-7+
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n/an/a 770n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
Please see Hutti, et al., (2012). Development of a High-Throughput Assay for Identifying Inhibitors of TBK1 and IKKε.


US Patent US9903855 (2018)

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


(Homo sapiens (Human))
BDBM373538
PNG
(US9903855, Molecule 5)
Show SMILES OC(=O)CCCCCN1C(=O)N\C(=C/C2=C(NCc3ccco3)N=C3C=CC=C[N]3=[C]2=O)C1=O
Show InChI InChI=1S/C23H23N5O6/c29-19(30)9-2-1-4-11-28-22(32)17(25-23(28)33)13-16-20(24-14-15-7-6-12-34-15)26-18-8-3-5-10-27(18)21(16)31/h3,5-8,10,12-13H,1-2,4,9,11,14H2,(H,24,26)(H,25,33)(H,29,30)/b17-13-
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n/an/a 870n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
Please see Hutti, et al., (2012). Development of a High-Throughput Assay for Identifying Inhibitors of TBK1 and IKKε.


US Patent US9903855 (2018)

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


(Homo sapiens (Human))
BDBM373536
PNG
(US9903855, Molecule 3)
Show SMILES CCOc1ccc(NCc2ccc(O)c3ncccc23)cc1
Show InChI InChI=1S/C18H18N2O2/c1-2-22-15-8-6-14(7-9-15)20-12-13-5-10-17(21)18-16(13)4-3-11-19-18/h3-11,20-21H,2,12H2,1H3
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n/an/a 8.76E+3n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
Please see Hutti, et al., (2012). Development of a High-Throughput Assay for Identifying Inhibitors of TBK1 and IKKε.


US Patent US9903855 (2018)

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


(Homo sapiens (Human))
BDBM373537
PNG
(US9903855, Molecule 4)
Show SMILES Oc1nc(nc(-c2ccc3OCOc3c2)c1C#N)N1CCCCC1
Show InChI InChI=1S/C17H16N4O3/c18-9-12-15(11-4-5-13-14(8-11)24-10-23-13)19-17(20-16(12)22)21-6-2-1-3-7-21/h4-5,8H,1-3,6-7,10H2,(H,19,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
Please see Hutti, et al., (2012). Development of a High-Throughput Assay for Identifying Inhibitors of TBK1 and IKKε.


US Patent US9903855 (2018)

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


(Homo sapiens (Human))
BDBM373534
PNG
(US9903855, Molecule 2)
Show SMILES Nc1c([nH]c2nc3\C(CCc3c(-c3ccco3)c12)=C\c1ccco1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H19N3O3/c27-22-21-20(19-9-5-13-32-19)18-11-10-16(14-17-8-4-12-31-17)23(18)28-26(21)29-24(22)25(30)15-6-2-1-3-7-15/h1-9,12-14H,10-11,27H2,(H,28,29)/b16-14+
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n/an/a>1.00E+4n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
Please see Hutti, et al., (2012). Development of a High-Throughput Assay for Identifying Inhibitors of TBK1 and IKKε.


US Patent US9903855 (2018)

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


(Homo sapiens (Human))
BDBM373536
PNG
(US9903855, Molecule 3)
Show SMILES CCOc1ccc(NCc2ccc(O)c3ncccc23)cc1
Show InChI InChI=1S/C18H18N2O2/c1-2-22-15-8-6-14(7-9-15)20-12-13-5-10-17(21)18-16(13)4-3-11-19-18/h3-11,20-21H,2,12H2,1H3
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THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
Please see Hutti, et al., (2012). Development of a High-Throughput Assay for Identifying Inhibitors of TBK1 and IKKε.


US Patent US9903855 (2018)

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


(Homo sapiens (Human))
BDBM373538
PNG
(US9903855, Molecule 5)
Show SMILES OC(=O)CCCCCN1C(=O)N\C(=C/C2=C(NCc3ccco3)N=C3C=CC=C[N]3=[C]2=O)C1=O
Show InChI InChI=1S/C23H23N5O6/c29-19(30)9-2-1-4-11-28-22(32)17(25-23(28)33)13-16-20(24-14-15-7-6-12-34-15)26-18-8-3-5-10-27(18)21(16)31/h3,5-8,10,12-13H,1-2,4,9,11,14H2,(H,24,26)(H,25,33)(H,29,30)/b17-13-
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THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
Please see Hutti, et al., (2012). Development of a High-Throughput Assay for Identifying Inhibitors of TBK1 and IKKε.


US Patent US9903855 (2018)

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


(Homo sapiens (Human))
BDBM373534
PNG
(US9903855, Molecule 2)
Show SMILES Nc1c([nH]c2nc3\C(CCc3c(-c3ccco3)c12)=C\c1ccco1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H19N3O3/c27-22-21-20(19-9-5-13-32-19)18-11-10-16(14-17-8-4-12-31-17)23(18)28-26(21)29-24(22)25(30)15-6-2-1-3-7-15/h1-9,12-14H,10-11,27H2,(H,28,29)/b16-14+
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THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
Please see Hutti, et al., (2012). Development of a High-Throughput Assay for Identifying Inhibitors of TBK1 and IKKε.


US Patent US9903855 (2018)

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


(Homo sapiens (Human))
BDBM373534
PNG
(US9903855, Molecule 2)
Show SMILES Nc1c([nH]c2nc3\C(CCc3c(-c3ccco3)c12)=C\c1ccco1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H19N3O3/c27-22-21-20(19-9-5-13-32-19)18-11-10-16(14-17-8-4-12-31-17)23(18)28-26(21)29-24(22)25(30)15-6-2-1-3-7-15/h1-9,12-14H,10-11,27H2,(H,28,29)/b16-14+
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THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
Please see Hutti, et al., (2012). Development of a High-Throughput Assay for Identifying Inhibitors of TBK1 and IKKε.


US Patent US9903855 (2018)

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


(Homo sapiens (Human))
BDBM373532
PNG
(US9903855, Molecule 1)
Show SMILES OC(=O)\C=C\c1ccc2c(onc2c1)-c1ccccc1
Show InChI InChI=1S/C16H11NO3/c18-15(19)9-7-11-6-8-13-14(10-11)17-20-16(13)12-4-2-1-3-5-12/h1-10H,(H,18,19)/b9-7+
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THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
Please see Hutti, et al., (2012). Development of a High-Throughput Assay for Identifying Inhibitors of TBK1 and IKKε.


US Patent US9903855 (2018)

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


(Homo sapiens (Human))
BDBM373538
PNG
(US9903855, Molecule 5)
Show SMILES OC(=O)CCCCCN1C(=O)N\C(=C/C2=C(NCc3ccco3)N=C3C=CC=C[N]3=[C]2=O)C1=O
Show InChI InChI=1S/C23H23N5O6/c29-19(30)9-2-1-4-11-28-22(32)17(25-23(28)33)13-16-20(24-14-15-7-6-12-34-15)26-18-8-3-5-10-27(18)21(16)31/h3,5-8,10,12-13H,1-2,4,9,11,14H2,(H,24,26)(H,25,33)(H,29,30)/b17-13-
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THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
Please see Hutti, et al., (2012). Development of a High-Throughput Assay for Identifying Inhibitors of TBK1 and IKKε.


US Patent US9903855 (2018)

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


(Homo sapiens (Human))
BDBM373536
PNG
(US9903855, Molecule 3)
Show SMILES CCOc1ccc(NCc2ccc(O)c3ncccc23)cc1
Show InChI InChI=1S/C18H18N2O2/c1-2-22-15-8-6-14(7-9-15)20-12-13-5-10-17(21)18-16(13)4-3-11-19-18/h3-11,20-21H,2,12H2,1H3
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THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
Please see Hutti, et al., (2012). Development of a High-Throughput Assay for Identifying Inhibitors of TBK1 and IKKε.


US Patent US9903855 (2018)

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


(Homo sapiens (Human))
BDBM373532
PNG
(US9903855, Molecule 1)
Show SMILES OC(=O)\C=C\c1ccc2c(onc2c1)-c1ccccc1
Show InChI InChI=1S/C16H11NO3/c18-15(19)9-7-11-6-8-13-14(10-11)17-20-16(13)12-4-2-1-3-5-12/h1-10H,(H,18,19)/b9-7+
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THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
Please see Hutti, et al., (2012). Development of a High-Throughput Assay for Identifying Inhibitors of TBK1 and IKKε.


US Patent US9903855 (2018)

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


(Homo sapiens (Human))
BDBM373538
PNG
(US9903855, Molecule 5)
Show SMILES OC(=O)CCCCCN1C(=O)N\C(=C/C2=C(NCc3ccco3)N=C3C=CC=C[N]3=[C]2=O)C1=O
Show InChI InChI=1S/C23H23N5O6/c29-19(30)9-2-1-4-11-28-22(32)17(25-23(28)33)13-16-20(24-14-15-7-6-12-34-15)26-18-8-3-5-10-27(18)21(16)31/h3,5-8,10,12-13H,1-2,4,9,11,14H2,(H,24,26)(H,25,33)(H,29,30)/b17-13-
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THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
Please see Hutti, et al., (2012). Development of a High-Throughput Assay for Identifying Inhibitors of TBK1 and IKKε.


US Patent US9903855 (2018)

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


(Homo sapiens (Human))
BDBM373537
PNG
(US9903855, Molecule 4)
Show SMILES Oc1nc(nc(-c2ccc3OCOc3c2)c1C#N)N1CCCCC1
Show InChI InChI=1S/C17H16N4O3/c18-9-12-15(11-4-5-13-14(8-11)24-10-23-13)19-17(20-16(12)22)21-6-2-1-3-7-21/h4-5,8H,1-3,6-7,10H2,(H,19,20,22)
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THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
Please see Hutti, et al., (2012). Development of a High-Throughput Assay for Identifying Inhibitors of TBK1 and IKKε.


US Patent US9903855 (2018)

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


(Homo sapiens (Human))
BDBM373537
PNG
(US9903855, Molecule 4)
Show SMILES Oc1nc(nc(-c2ccc3OCOc3c2)c1C#N)N1CCCCC1
Show InChI InChI=1S/C17H16N4O3/c18-9-12-15(11-4-5-13-14(8-11)24-10-23-13)19-17(20-16(12)22)21-6-2-1-3-7-21/h4-5,8H,1-3,6-7,10H2,(H,19,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
Please see Hutti, et al., (2012). Development of a High-Throughput Assay for Identifying Inhibitors of TBK1 and IKKε.


US Patent US9903855 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%