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USPatent US10214536

Compile data set for download or QSAR
Found 76 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))		BDBM357915
PNG
((E)-2-(((Dimethylamino)methylene)amino)-7-isopropy...)
Show SMILES CC(C)c1ccc2oc3nc(\N=C\N(C)C)c(cc3c(=O)c2c1)C(O)=O
Show InChI InChI=1S/C19H19N3O4/c1-10(2)11-5-6-15-12(7-11)16(23)13-8-14(19(24)25)17(20-9-22(3)4)21-18(13)26-15/h5-10H,1-4H3,(H,24,25)/b20-9+
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357864
PNG
(US10214536, Compound 24)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)N1CCOCC1
Show InChI InChI=1S/C17H15N3O5/c18-15-12(17(22)23)8-11-14(21)10-7-9(20-3-5-24-6-4-20)1-2-13(10)25-16(11)19-15/h1-2,7-8H,3-6H2,(H2,18,19)(H,22,23)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357870
PNG
(US10214536, Compound 38)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCN(CC1)C=O
Show InChI InChI=1S/C19H17N3O5/c20-17-14(19(25)26)8-13-16(24)12-7-11(1-2-15(12)27-18(13)21-17)10-3-5-22(9-23)6-4-10/h1-2,7-10H,3-6H2,(H2,20,21)(H,25,26)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357869
PNG
(US10214536, Compound 36)
Show SMILES CC(=O)N1CCC(CC1)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O
Show InChI InChI=1S/C20H19N3O5/c1-10(24)23-6-4-11(5-7-23)12-2-3-16-13(8-12)17(25)14-9-15(20(26)27)18(21)22-19(14)28-16/h2-3,8-9,11H,4-7H2,1H3,(H2,21,22)(H,26,27)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357894
PNG
(US10214536, Compound 76)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCS(=O)(=O)CC1
Show InChI InChI=1S/C18H16N2O6S/c19-16-13(18(22)23)8-12-15(21)11-7-10(1-2-14(11)26-17(12)20-16)9-3-5-27(24,25)6-4-9/h1-2,7-9H,3-6H2,(H2,19,20)(H,22,23)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357921
PNG
(US10214536, Compound 288)
Show SMILES CC(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(=O)Nc1nnn[nH]1
Show InChI InChI=1S/C17H15N7O3/c1-7(2)8-3-4-12-9(5-8)13(25)10-6-11(14(18)19-16(10)27-12)15(26)20-17-21-23-24-22-17/h3-7H,1-2H3,(H2,18,19)(H2,20,21,22,23,24,26)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357919
PNG
(US10214536, Compound 286)
Show SMILES CC(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)-c1nnn[nH]1
Show InChI InChI=1S/C16H14N6O2/c1-7(2)8-3-4-12-9(5-8)13(23)10-6-11(15-19-21-22-20-15)14(17)18-16(10)24-12/h3-7H,1-2H3,(H2,17,18)(H,19,20,21,22)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357872
PNG
(US10214536, Compound 42)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCOCC1
Show InChI InChI=1S/C18H16N2O5/c19-16-13(18(22)23)8-12-15(21)11-7-10(9-3-5-24-6-4-9)1-2-14(11)25-17(12)20-16/h1-2,7-9H,3-6H2,(H2,19,20)(H,22,23)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357877
PNG
(US10214536, Compound 53)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCC(O)CC1 |(6.67,2.69,;5.33,1.93,;4,2.69,;2.67,1.93,;1.33,2.69,;,1.93,;-1.33,2.69,;-2.67,1.93,;-2.67,.38,;-1.33,-.38,;,.38,;1.33,-.38,;1.33,-1.93,;2.67,.38,;4,-.38,;5.33,.38,;6.67,-.38,;8,.38,;6.67,-1.93,;-4,-.38,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-8,-2.69,;-5.33,-2.69,;-4,-1.93,)|
Show InChI InChI=1S/C19H18N2O5/c20-17-14(19(24)25)8-13-16(23)12-7-10(9-1-4-11(22)5-2-9)3-6-15(12)26-18(13)21-17/h3,6-9,11,22H,1-2,4-5H2,(H2,20,21)(H,24,25)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357866
PNG
(US10214536, Compound 28)
Show SMILES NC1Oc2oc3ccc(cc3c(=O)c2C=C1C(=O)Nc1nnn[nH]1)N1CCOCC1 |c:16|
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357865
PNG
(US10214536, Compound 26)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1-c1nnn[nH]1)N1CCOCC1
Show InChI InChI=1S/C17H15N7O3/c18-15-12(16-20-22-23-21-16)8-11-14(25)10-7-9(24-3-5-26-6-4-24)1-2-13(10)27-17(11)19-15/h1-2,7-8H,3-6H2,(H2,18,19)(H,20,21,22,23)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357871
PNG
(US10214536, Compound 40)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1=CCOCC1 |t:22|
Show InChI InChI=1S/C18H14N2O5/c19-16-13(18(22)23)8-12-15(21)11-7-10(9-3-5-24-6-4-9)1-2-14(11)25-17(12)20-16/h1-3,7-8H,4-6H2,(H2,19,20)(H,22,23)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357896
PNG
(US10214536, Compound 80)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCC2(CC1)OCCO2
Show InChI InChI=1S/C21H20N2O6/c22-18-15(20(25)26)10-14-17(24)13-9-12(1-2-16(13)29-19(14)23-18)11-3-5-21(6-4-11)27-7-8-28-21/h1-2,9-11H,3-8H2,(H2,22,23)(H,25,26)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357891
PNG
(US10214536, Compound 69)
Show SMILES NNC(=N)c1cc2c(nc1N)oc1ccc(cc1c2=O)C1=CCCCC1 |t:23|
Show InChI InChI=1S/C19H19N5O2/c20-17-14(18(21)24-22)9-13-16(25)12-8-11(10-4-2-1-3-5-10)6-7-15(12)26-19(13)23-17/h4,6-9H,1-3,5,22H2,(H2,20,23)(H2,21,24)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357897
PNG
(US10214536, Compound 81)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCC(=O)CC1
Show InChI InChI=1S/C19H16N2O5/c20-17-14(19(24)25)8-13-16(23)12-7-10(9-1-4-11(22)5-2-9)3-6-15(12)26-18(13)21-17/h3,6-9H,1-2,4-5H2,(H2,20,21)(H,24,25)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357860
PNG
(US10214536, Compound 11)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCCC1
Show InChI InChI=1S/C18H16N2O4/c19-16-13(18(22)23)8-12-15(21)11-7-10(9-3-1-2-4-9)5-6-14(11)24-17(12)20-16/h5-9H,1-4H2,(H2,19,20)(H,22,23)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357889
PNG
(US10214536, Compound 65)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCC(F)(F)CC1
Show InChI InChI=1S/C19H16F2N2O4/c20-19(21)5-3-9(4-6-19)10-1-2-14-11(7-10)15(24)12-8-13(18(25)26)16(22)23-17(12)27-14/h1-2,7-9H,3-6H2,(H2,22,23)(H,25,26)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357929
PNG
(US10214536, Compound 296)
Show SMILES Nc1nc2oc3ccc(C=C)cc3c(=O)c2cc1C(O)=O
Show InChI InChI=1S/C15H10N2O4/c1-2-7-3-4-11-8(5-7)12(18)9-6-10(15(19)20)13(16)17-14(9)21-11/h2-6H,1H2,(H2,16,17)(H,19,20)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357931
PNG
(US10214536, Compound 298)
Show SMILES CN(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(=N)NN
Show InChI InChI=1S/C15H16N6O2/c1-21(2)7-3-4-11-8(5-7)12(22)9-6-10(14(17)20-18)13(16)19-15(9)23-11/h3-6H,18H2,1-2H3,(H2,16,19)(H2,17,20)
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n/an/a 410n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357909
PNG
(2-Amino-8-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridi...)
Show SMILES CC(C)c1ccc2c(c1)oc1nc(N)c(cc1c2=O)C(O)=O
Show InChI InChI=1S/C16H14N2O4/c1-7(2)8-3-4-9-12(5-8)22-15-10(13(9)19)6-11(16(20)21)14(17)18-15/h3-7H,1-2H3,(H2,17,18)(H,20,21)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357893
PNG
(US10214536, Compound 74)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCSCC1
Show InChI InChI=1S/C18H16N2O4S/c19-16-13(18(22)23)8-12-15(21)11-7-10(9-3-5-25-6-4-9)1-2-14(11)24-17(12)20-16/h1-2,7-9H,3-6H2,(H2,19,20)(H,22,23)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357906
PNG
(Ethyl 2-amino-8-bromo-5-oxo-5H-chromeno[2,3-b]pyri...)
Show SMILES CCOC(=O)c1cc2c(nc1N)oc1cc(Br)ccc1c2=O
Show InChI InChI=1S/C15H11BrN2O4/c1-2-21-15(20)10-6-9-12(19)8-4-3-7(16)5-11(8)22-14(9)18-13(10)17/h3-6H,2H2,1H3,(H2,17,18)
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n/an/a 520n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357930
PNG
(US10214536, Compound 297)
Show SMILES CN(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O
Show InChI InChI=1S/C15H13N3O4/c1-18(2)7-3-4-11-8(5-7)12(19)9-6-10(15(20)21)13(16)17-14(9)22-11/h3-6H,1-2H3,(H2,16,17)(H,20,21)
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n/an/a 550n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357861
PNG
(US10214536, Compound 13)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1=CCCCC1 |t:22|
Show InChI InChI=1S/C19H16N2O4/c20-17-14(19(23)24)9-13-16(22)12-8-11(10-4-2-1-3-5-10)6-7-15(12)25-18(13)21-17/h4,6-9H,1-3,5H2,(H2,20,21)(H,23,24)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357859
PNG
(US10214536, Compound 8)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCC1
Show InChI InChI=1S/C17H14N2O4/c18-15-12(17(21)22)7-11-14(20)10-6-9(8-2-1-3-8)4-5-13(10)23-16(11)19-15/h4-8H,1-3H2,(H2,18,19)(H,21,22)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357892
PNG
(US10214536, Compound 71)
Show SMILES NNC(=N)c1cc2c(nc1N)oc1ccc(cc1c2=O)C1CCCCC1
Show InChI InChI=1S/C19H21N5O2/c20-17-14(18(21)24-22)9-13-16(25)12-8-11(10-4-2-1-3-5-10)6-7-15(12)26-19(13)23-17/h6-10H,1-5,22H2,(H2,20,23)(H2,21,24)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357886
PNG
(2-Amino-7-(4,4-dimethylcyclohex-1-en-1-yl)-5-oxo-5...)
Show SMILES CC1(C)CCC(=CC1)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O |c:5|
Show InChI InChI=1S/C21H20N2O4/c1-21(2)7-5-11(6-8-21)12-3-4-16-13(9-12)17(24)14-10-15(20(25)26)18(22)23-19(14)27-16/h3-5,9-10H,6-8H2,1-2H3,(H2,22,23)(H,25,26)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357895
PNG
(US10214536, Compound 78)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1=CCC2(CC1)OCCO2 |t:22|
Show InChI InChI=1S/C21H18N2O6/c22-18-15(20(25)26)10-14-17(24)13-9-12(1-2-16(13)29-19(14)23-18)11-3-5-21(6-4-11)27-7-8-28-21/h1-3,9-10H,4-8H2,(H2,22,23)(H,25,26)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357884
PNG
(US10214536, Compound 57b)
Show SMILES Nc1nc2oc3ccc(CCC4CC4)cc3c(=O)c2cc1C(O)=O
Show InChI InChI=1S/C18H16N2O4/c19-16-13(18(22)23)8-12-15(21)11-7-10(4-3-9-1-2-9)5-6-14(11)24-17(12)20-16/h5-9H,1-4H2,(H2,19,20)(H,22,23)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357880
PNG
(US10214536, Compound 55c)
Show SMILES Nc1nc2oc3ccc(\C=C\C4CCCC4)cc3c(=O)c2cc1C(O)=O
Show InChI InChI=1S/C20H18N2O4/c21-18-15(20(24)25)10-14-17(23)13-9-12(6-5-11-3-1-2-4-11)7-8-16(13)26-19(14)22-18/h5-11H,1-4H2,(H2,21,22)(H,24,25)/b6-5+
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357857
PNG
(Aphthasol | US10214536, Amlexanox)
Show SMILES CC(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O
Show InChI InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)
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n/an/a 980n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357901
PNG
(US10214536, Compound 180)
Show SMILES Nc1nc2oc3cnc(cc3c(=O)c2cc1C(O)=O)C1CCCCC1
Show InChI InChI=1S/C18H17N3O4/c19-16-12(18(23)24)6-11-15(22)10-7-13(9-4-2-1-3-5-9)20-8-14(10)25-17(11)21-16/h6-9H,1-5H2,(H2,19,21)(H,23,24)
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n/an/a 1.07E+3n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357887
PNG
(US10214536, Compound 61)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1=CCC(F)(F)CC1 |t:22|
Show InChI InChI=1S/C19H14F2N2O4/c20-19(21)5-3-9(4-6-19)10-1-2-14-11(7-10)15(24)12-8-13(18(25)26)16(22)23-17(12)27-14/h1-3,7-8H,4-6H2,(H2,22,23)(H,25,26)
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n/an/a 1.17E+3n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357874
PNG
(US10214536, Compound 47)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1=CCC(O)CC1 |t:22|
Show InChI InChI=1S/C19H16N2O5/c20-17-14(19(24)25)8-13-16(23)12-7-10(9-1-4-11(22)5-2-9)3-6-15(12)26-18(13)21-17/h1,3,6-8,11,22H,2,4-5H2,(H2,20,21)(H,24,25)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357905
PNG
(2-Amino-7-isobutyl-5-oxo-5H-chromeno[2,3-b]pyridin...)
Show SMILES CC(C)Cc1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O
Show InChI InChI=1S/C17H16N2O4/c1-8(2)5-9-3-4-13-10(6-9)14(20)11-7-12(17(21)22)15(18)19-16(11)23-13/h3-4,6-8H,5H2,1-2H3,(H2,18,19)(H,21,22)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357914
PNG
(2-Amino-8-fluoro-7-isopropyl-5-oxo-5H-chromeno[2,3...)
Show SMILES CC(C)c1cc2c(cc1F)oc1nc(N)c(cc1c2=O)C(O)=O
Show InChI InChI=1S/C16H13FN2O4/c1-6(2)7-3-8-12(5-11(7)17)23-15-9(13(8)20)4-10(16(21)22)14(18)19-15/h3-6H,1-2H3,(H2,18,19)(H,21,22)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357927
PNG
(US10214536, Compound 294)
Show SMILES Nc1cc2oc3ccccc3c(=O)c2cc1C(O)=O
Show InChI InChI=1S/C14H9NO4/c15-10-6-12-9(5-8(10)14(17)18)13(16)7-3-1-2-4-11(7)19-12/h1-6H,15H2,(H,17,18)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357900
PNG
(US10214536, Compound 176)
Show SMILES Nc1nc2oc3cnc(cc3c(=O)c2cc1C(O)=O)C1=CCCCC1 |t:22|
Show InChI InChI=1S/C18H15N3O4/c19-16-12(18(23)24)6-11-15(22)10-7-13(9-4-2-1-3-5-9)20-8-14(10)25-17(11)21-16/h4,6-8H,1-3,5H2,(H2,19,21)(H,23,24)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357922
PNG
(US10214536, Compound 289)
Show SMILES CC(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)-c1noc(=O)[nH]1
Show InChI InChI=1S/C17H14N4O4/c1-7(2)8-3-4-12-9(5-8)13(22)10-6-11(14(18)19-16(10)24-12)15-20-17(23)25-21-15/h3-7H,1-2H3,(H2,18,19)(H,20,21,23)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357888
PNG
(Ethyl 2-amino-7-(4,4-dimethylcyclohexyl)-5-oxo-5H-...)
Show SMILES CCOC(=O)c1cc2c(nc1N)oc1ccc(cc1c2=O)C1CCC(C)(C)CC1
Show InChI InChI=1S/C23H26N2O4/c1-4-28-22(27)17-12-16-19(26)15-11-14(13-7-9-23(2,3)10-8-13)5-6-18(15)29-21(16)25-20(17)24/h5-6,11-13H,4,7-10H2,1-3H3,(H2,24,25)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357890
PNG
(US10214536, Compound 67)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C19H12N2O4/c20-17-14(19(23)24)9-13-16(22)12-8-11(10-4-2-1-3-5-10)6-7-15(12)25-18(13)21-17/h1-9H,(H2,20,21)(H,23,24)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357907
PNG
((E)-2-Amino-8-(2-cyclopentylvinyl)-5-oxo-5H-chrome...)
Show SMILES Nc1nc2oc3cc(\C=C\C4CCCC4)ccc3c(=O)c2cc1C(O)=O
Show InChI InChI=1S/C20H18N2O4/c21-18-15(20(24)25)10-14-17(23)13-8-7-12(6-5-11-3-1-2-4-11)9-16(13)26-19(14)22-18/h5-11H,1-4H2,(H2,21,22)(H,24,25)/b6-5+
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357858
PNG
(US10214536, Compound 5)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CC1
Show InChI InChI=1S/C16H12N2O4/c17-14-11(16(20)21)6-10-13(19)9-5-8(7-1-2-7)3-4-12(9)22-15(10)18-14/h3-7H,1-2H2,(H2,17,18)(H,20,21)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357932
PNG
(US10214536, Compound 299)
Show SMILES CC(=C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O
Show InChI InChI=1S/C16H12N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-6H,1H2,2H3,(H2,17,18)(H,20,21)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357898
PNG
(US10214536, Compound 97)
Show SMILES CC(C)c1ccc2oc3nc(N)c(CO)cc3c(=O)c2c1
Show InChI InChI=1S/C16H16N2O3/c1-8(2)9-3-4-13-11(5-9)14(20)12-6-10(7-19)15(17)18-16(12)21-13/h3-6,8,19H,7H2,1-2H3,(H2,17,18)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357904
PNG
(2-Amino-7-(2-cyclobutylethyl)-5-oxo-5H-chromeno[2,...)
Show SMILES Nc1nc2oc3ccc(CCC4CCC4)cc3c(=O)c2cc1C(O)=O
Show InChI InChI=1S/C19H18N2O4/c20-17-14(19(23)24)9-13-16(22)12-8-11(5-4-10-2-1-3-10)6-7-15(12)25-18(13)21-17/h6-10H,1-5H2,(H2,20,21)(H,23,24)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357862
PNG
(US10214536, Compound 15)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCCCC1
Show InChI InChI=1S/C19H18N2O4/c20-17-14(19(23)24)9-13-16(22)12-8-11(10-4-2-1-3-5-10)6-7-15(12)25-18(13)21-17/h6-10H,1-5H2,(H2,20,21)(H,23,24)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357903
PNG
(2-Amino-7-isopentyl-5-oxo-5H-chromeno[2,3-b]pyridi...)
Show SMILES CC(C)CCc1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O
Show InChI InChI=1S/C18H18N2O4/c1-9(2)3-4-10-5-6-14-11(7-10)15(21)12-8-13(18(22)23)16(19)20-17(12)24-14/h5-9H,3-4H2,1-2H3,(H2,19,20)(H,22,23)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357924
PNG
(US10214536, Compound 291)
Show SMILES Nc1nc2oc3ccc(Br)cc3c(=O)c2cc1C(O)=O
Show InChI InChI=1S/C13H7BrN2O4/c14-5-1-2-9-6(3-5)10(17)7-4-8(13(18)19)11(15)16-12(7)20-9/h1-4H,(H2,15,16)(H,18,19)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357912
PNG
(Ethyl 2-amino-8-fluoro-5-oxo-7-(prop-1-en-2-yl)-5H...)
Show SMILES CCOC(=O)c1cc2c(nc1N)oc1cc(F)c(cc1c2=O)C(C)=C
Show InChI InChI=1S/C18H15FN2O4/c1-4-24-18(23)12-6-11-15(22)10-5-9(8(2)3)13(19)7-14(10)25-17(11)21-16(12)20/h5-7H,2,4H2,1,3H3,(H2,20,21)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357876
PNG
(US10214536, Compound 52)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCC(CC1)C(F)(F)F |(6.67,2.69,;5.33,1.93,;4,2.69,;2.67,1.93,;1.33,2.69,;,1.93,;-1.33,2.69,;-2.67,1.93,;-2.67,.38,;-1.33,-.38,;,.38,;1.33,-.38,;1.33,-1.93,;2.67,.38,;4,-.38,;5.33,.38,;6.67,-.38,;8,.38,;6.67,-1.93,;-4,-.38,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-8,-2.69,;-9.34,-1.92,;-8,-4.23,;-9.34,-3.46,)|
Show InChI InChI=1S/C20H17F3N2O4/c21-20(22,23)11-4-1-9(2-5-11)10-3-6-15-12(7-10)16(26)13-8-14(19(27)28)17(24)25-18(13)29-15/h3,6-9,11H,1-2,4-5H2,(H2,24,25)(H,27,28)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357911
PNG
(2-Amino-8-cyclohexyl-5-oxo-5H-chromeno[2,3-b]pyrid...)
Show SMILES Nc1nc2oc3cc(ccc3c(=O)c2cc1C(O)=O)C1CCCCC1
Show InChI InChI=1S/C19H18N2O4/c20-17-14(19(23)24)9-13-16(22)12-7-6-11(10-4-2-1-3-5-10)8-15(12)25-18(13)21-17/h6-10H,1-5H2,(H2,20,21)(H,23,24)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357878
PNG
(US10214536, Compound 55a)
Show SMILES Nc1nc2oc3ccc(\C=C\C4CCCCC4)cc3c(=O)c2cc1C(O)=O
Show InChI InChI=1S/C21H20N2O4/c22-19-16(21(25)26)11-15-18(24)14-10-13(7-6-12-4-2-1-3-5-12)8-9-17(14)27-20(15)23-19/h6-12H,1-5H2,(H2,22,23)(H,25,26)/b7-6+
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357918
PNG
(US10214536, Compound 285)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C(F)(F)F
Show InChI InChI=1S/C14H7F3N2O4/c15-14(16,17)5-1-2-9-6(3-5)10(20)7-4-8(13(21)22)11(18)19-12(7)23-9/h1-4H,(H2,18,19)(H,21,22)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357867
PNG
(US10214536, Compound 30)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1=CCNCC1 |t:22|
Show InChI InChI=1S/C18H15N3O4/c19-16-13(18(23)24)8-12-15(22)11-7-10(9-3-5-20-6-4-9)1-2-14(11)25-17(12)21-16/h1-3,7-8,20H,4-6H2,(H2,19,21)(H,23,24)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357863
PNG
(US10214536, Compound 19)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCCCCC1
Show InChI InChI=1S/C20H20N2O4/c21-18-15(20(24)25)10-14-17(23)13-9-12(11-5-3-1-2-4-6-11)7-8-16(13)26-19(14)22-18/h7-11H,1-6H2,(H2,21,22)(H,24,25)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357873
PNG
(US10214536, Compound 45)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1=CCC(CC1)C(F)(F)F |t:22|
Show InChI InChI=1S/C20H15F3N2O4/c21-20(22,23)11-4-1-9(2-5-11)10-3-6-15-12(7-10)16(26)13-8-14(19(27)28)17(24)25-18(13)29-15/h1,3,6-8,11H,2,4-5H2,(H2,24,25)(H,27,28)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357926
PNG
(US10214536, Compound 293)
Show SMILES CN(C)CCCc1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O
Show InChI InChI=1S/C18H19N3O4/c1-21(2)7-3-4-10-5-6-14-11(8-10)15(22)12-9-13(18(23)24)16(19)20-17(12)25-14/h5-6,8-9H,3-4,7H2,1-2H3,(H2,19,20)(H,23,24)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357875
PNG
(US10214536, Compound 51)
Show SMILES CC1CCC(CC1)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O |(-8,-2.69,;-6.67,-1.93,;-6.67,-.38,;-5.33,.38,;-4,-.38,;-4,-1.93,;-5.33,-2.69,;-2.67,.38,;-2.67,1.93,;-1.33,2.69,;,1.93,;1.33,2.69,;2.67,1.93,;4,2.69,;5.33,1.93,;6.67,2.69,;5.33,.38,;4,-.38,;2.67,.38,;1.33,-.38,;1.33,-1.93,;,.38,;-1.33,-.38,;6.67,-.38,;8,.38,;6.67,-1.93,)|
Show InChI InChI=1S/C20H20N2O4/c1-10-2-4-11(5-3-10)12-6-7-16-13(8-12)17(23)14-9-15(20(24)25)18(21)22-19(14)26-16/h6-11H,2-5H2,1H3,(H2,21,22)(H,24,25)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357902
PNG
(2-Amino-7-(cyclopropylethynyl)-5-oxo-5H-chromeno[2...)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C#CC1CC1
Show InChI InChI=1S/C18H12N2O4/c19-16-13(18(22)23)8-12-15(21)11-7-10(4-3-9-1-2-9)5-6-14(11)24-17(12)20-16/h5-9H,1-2H2,(H2,19,20)(H,22,23)
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n/an/a 3.98E+3n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357925
PNG
(US10214536, Compound 292)
Show SMILES CN(C)CC#Cc1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O
Show InChI InChI=1S/C18H15N3O4/c1-21(2)7-3-4-10-5-6-14-11(8-10)15(22)12-9-13(18(23)24)16(19)20-17(12)25-14/h5-6,8-9H,7H2,1-2H3,(H2,19,20)(H,23,24)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357883
PNG
(US10214536, Compound 57a)
Show SMILES Nc1nc2oc3ccc(CCC4CCCCC4)cc3c(=O)c2cc1C(O)=O
Show InChI InChI=1S/C21H22N2O4/c22-19-16(21(25)26)11-15-18(24)14-10-13(7-6-12-4-2-1-3-5-12)8-9-17(14)27-20(15)23-19/h8-12H,1-7H2,(H2,22,23)(H,25,26)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357879
PNG
(US10214536, Compound 55b)
Show SMILES Nc1nc2oc3ccc(\C=C\C4CC4)cc3c(=O)c2cc1C(O)=O
Show InChI InChI=1S/C18H14N2O4/c19-16-13(18(22)23)8-12-15(21)11-7-10(4-3-9-1-2-9)5-6-14(11)24-17(12)20-16/h3-9H,1-2H2,(H2,19,20)(H,22,23)/b4-3+
PDB

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n/an/a 4.85E+3n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357868
PNG
(US10214536, Compound 34)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCNCC1
Show InChI InChI=1S/C18H17N3O4/c19-16-13(18(23)24)8-12-15(22)11-7-10(9-3-5-20-6-4-9)1-2-14(11)25-17(12)21-16/h1-2,7-9,20H,3-6H2,(H2,19,21)(H,23,24)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357899
PNG
(US10214536, Compound 117)
Show SMILES CC(C)c1cc2c(cn1)oc1nc(N)c(cc1c2=O)C(O)=O
Show InChI InChI=1S/C15H13N3O4/c1-6(2)10-4-7-11(5-17-10)22-14-8(12(7)19)3-9(15(20)21)13(16)18-14/h3-6H,1-2H3,(H2,16,18)(H,20,21)
PDB

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n/an/a 6.59E+3n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357908
PNG
(2-Amino-8-(cyclohex-1-en-1-yl)-5-oxo-5H-chromeno[2...)
Show SMILES Nc1nc2oc3cc(ccc3c(=O)c2cc1C(O)=O)C1=CCCCC1 |t:22|
Show InChI InChI=1S/C19H16N2O4/c20-17-14(19(23)24)9-13-16(22)12-7-6-11(10-4-2-1-3-5-10)8-15(12)25-18(13)21-17/h4,6-9H,1-3,5H2,(H2,20,21)(H,23,24)
PDB

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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357885
PNG
(US10214536, Compound 57c)
Show SMILES Nc1nc2oc3ccc(CCC4CCCC4)cc3c(=O)c2cc1C(O)=O
Show InChI InChI=1S/C20H20N2O4/c21-18-15(20(24)25)10-14-17(23)13-9-12(6-5-11-3-1-2-4-11)7-8-16(13)26-19(14)22-18/h7-11H,1-6H2,(H2,21,22)(H,24,25)
PDB

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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357881
PNG
((E)-2-Amino-7-(3,3-dimethylbut-1-en-1-yl)-5-oxo-5H...)
Show SMILES CC(C)(C)\C=C\c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O
Show InChI InChI=1S/C19H18N2O4/c1-19(2,3)7-6-10-4-5-14-11(8-10)15(22)12-9-13(18(23)24)16(20)21-17(12)25-14/h4-9H,1-3H3,(H2,20,21)(H,23,24)/b7-6+
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357917
PNG
(US10214536, Compound 283)
Show SMILES CCN(CC)CCNC(=O)c1cc2c(nc1N)oc1ccc(cc1c2=O)C(C)C
Show InChI InChI=1S/C22H28N4O3/c1-5-26(6-2)10-9-24-21(28)17-12-16-19(27)15-11-14(13(3)4)7-8-18(15)29-22(16)25-20(17)23/h7-8,11-13H,5-6,9-10H2,1-4H3,(H2,23,25)(H,24,28)
PDB

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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357910
PNG
(2-Amino-8-(2-cyclopentylethyl)-5-oxo-5H-chromeno[2...)
Show SMILES Nc1nc2oc3cc(CCC4CCCC4)ccc3c(=O)c2cc1C(O)=O
Show InChI InChI=1S/C20H20N2O4/c21-18-15(20(24)25)10-14-17(23)13-8-7-12(6-5-11-3-1-2-4-11)9-16(13)26-19(14)22-18/h7-11H,1-6H2,(H2,21,22)(H,24,25)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357923
PNG
(US10214536, Compound 290)
Show SMILES CC(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)-c1ncon1
Show InChI InChI=1S/C17H14N4O3/c1-8(2)9-3-4-13-10(5-9)14(22)11-6-12(16-19-7-23-21-16)15(18)20-17(11)24-13/h3-8H,1-2H3,(H2,18,20)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357916
PNG
(US10214536, Compound 282)
Show SMILES CNC(=O)c1cc2c(nc1N)oc1ccc(cc1c2=O)C(C)C
Show InChI InChI=1S/C17H17N3O3/c1-8(2)9-4-5-13-10(6-9)14(21)11-7-12(16(22)19-3)15(18)20-17(11)23-13/h4-8H,1-3H3,(H2,18,20)(H,19,22)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357928
PNG
(US10214536, Compound 295)
Show SMILES CC(C)c1ccc2oc3nc(N)ccc3c(=O)c2c1
Show InChI InChI=1S/C15H14N2O2/c1-8(2)9-3-5-12-11(7-9)14(18)10-4-6-13(16)17-15(10)19-12/h3-8H,1-2H3,(H2,16,17)
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n/an/a 2.44E+4n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357882
PNG
(Ethyl 2-Amino-7-(3,3-dimethylbutyl)-5-oxo-5H-chrom...)
Show SMILES CCOC(=O)c1cc2c(nc1N)oc1ccc(CCC(C)(C)C)cc1c2=O
Show InChI InChI=1S/C21H24N2O4/c1-5-26-20(25)15-11-14-17(24)13-10-12(8-9-21(2,3)4)6-7-16(13)27-19(14)23-18(15)22/h6-7,10-11H,5,8-9H2,1-4H3,(H2,22,23)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357920
PNG
(US10214536, Compound 287)
Show SMILES CCOC(=O)c1cc2c(nc1N)oc1ccc(cc1c2=O)C(C)C
Show InChI InChI=1S/C18H18N2O4/c1-4-23-18(22)13-8-12-15(21)11-7-10(9(2)3)5-6-14(11)24-17(12)20-16(13)19/h5-9H,4H2,1-3H3,(H2,19,20)
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n/an/a 1.23E+5n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM357913
PNG
(2-Amino-7-(cyclohex-1-en-1-yl)-8-fluoro-5-oxo-5H-c...)
Show SMILES Nc1nc2oc3cc(F)c(cc3c(=O)c2cc1C(O)=O)C1=CCCCC1 |t:23|
Show InChI InChI=1S/C19H15FN2O4/c20-14-8-15-11(6-10(14)9-4-2-1-3-5-9)16(23)12-7-13(19(24)25)17(21)22-18(12)26-15/h4,6-8H,1-3,5H2,(H2,21,22)(H,24,25)
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n/an/a 4.50E+5n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...

US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%