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Patent code US9815836

Compile Data Set for Download or QSAR
Found 74 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
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355843
PNG
(US9815836, Compound 29 | US9815836, Compound 34)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCC\C=C\CNC(=O)c2n1)c3
Show InChI InChI=1S/C20H21N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h2,4,6-8,11-13H,3,5,9-10H2,1H3,(H,21,29)(H,24,28)/b4-2+
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US Patent


Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355852
PNG
(US9815836, Compound 38)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CC#CCCCNC(=O)c2n1)c3
Show InChI InChI=1S/C20H19N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h6-8,11-13H,2,4,9-10H2,1H3,(H,21,29)(H,24,28)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355847
PNG
(US9815836, Compound 33)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCC(O)C(O)CCNC(=O)c2n1)c3
Show InChI InChI=1S/C20H23N7O4/c1-26-11-15-18(25-26)20(31)21-7-5-16(28)17(29)6-8-27-10-12(9-22-27)13-3-2-4-14(23-13)19(30)24-15/h2-4,9-11,16-17,28-29H,5-8H2,1H3,(H,21,31)(H,24,30)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355816
PNG
(US9815836, Compound 1)
Show SMILES Cn1cc2NC(=O)c3cccc(c3)-c3cnn(CCCCCCNC(=O)c2n1)c3
Show InChI InChI=1S/C21H24N6O2/c1-26-14-18-19(25-26)21(29)22-9-4-2-3-5-10-27-13-17(12-23-27)15-7-6-8-16(11-15)20(28)24-18/h6-8,11-14H,2-5,9-10H2,1H3,(H,22,29)(H,24,28)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355840
PNG
(US9815836, Compound 25)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(C\C=C\CCCNC(=O)c2n1)c3
Show InChI InChI=1S/C20H21N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h3,5-8,11-13H,2,4,9-10H2,1H3,(H,21,29)(H,24,28)/b5-3+
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355844
PNG
(US9815836, Compound 30)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCC\C=C/CNC(=O)c2n1)c3
Show InChI InChI=1S/C20H21N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h2,4,6-8,11-13H,3,5,9-10H2,1H3,(H,21,29)(H,24,28)/b4-2-
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355843
PNG
(US9815836, Compound 29 | US9815836, Compound 34)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCC\C=C\CNC(=O)c2n1)c3
Show InChI InChI=1S/C20H21N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h2,4,6-8,11-13H,3,5,9-10H2,1H3,(H,21,29)(H,24,28)/b4-2+
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355830
PNG
(US9815836, Compound 15)
Show SMILES O=C1NCCS(=O)(=O)CCCn2cc(cn2)-c2cccc(n2)C(=O)Nc2cn(nc12)C1CCOCC1
Show InChI InChI=1S/C23H27N7O5S/c31-22-19-4-1-3-18(26-19)16-13-25-29(14-16)8-2-11-36(33,34)12-7-24-23(32)21-20(27-22)15-30(28-21)17-5-9-35-10-6-17/h1,3-4,13-15,17H,2,5-12H2,(H,24,32)(H,27,31)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355832
PNG
(US9815836, Compound 17)
Show SMILES CS(=O)(=O)N1CCC(CC1)n1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
Show InChI InChI=1S/C25H32N8O4S/c1-38(36,37)32-13-9-19(10-14-32)33-17-22-23(30-33)25(35)26-11-4-2-3-5-12-31-16-18(15-27-31)20-7-6-8-21(28-20)24(34)29-22/h6-8,15-17,19H,2-5,9-14H2,1H3,(H,26,35)(H,29,34)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355841
PNG
(US9815836, Compound 27)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CC\C=C/CCNC(=O)c2n1)c3
Show InChI InChI=1S/C20H21N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h2-3,6-8,11-13H,4-5,9-10H2,1H3,(H,21,29)(H,24,28)/b3-2-
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355846
PNG
(US9815836, Compound 32)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CC(O)C(O)CCCNC(=O)c2n1)c3
Show InChI InChI=1S/C20H23N7O4/c1-26-10-15-18(25-26)20(31)21-7-3-6-16(28)17(29)11-27-9-12(8-22-27)13-4-2-5-14(23-13)19(30)24-15/h2,4-5,8-10,16-17,28-29H,3,6-7,11H2,1H3,(H,21,31)(H,24,30)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355851
PNG
(US9815836, Compound 37)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(C\C=C/CCCNC(=O)c2n1)c3
Show InChI InChI=1S/C20H21N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h3,5-8,11-13H,2,4,9-10H2,1H3,(H,21,29)(H,24,28)/b5-3-
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355852
PNG
(US9815836, Compound 38)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CC#CCCCNC(=O)c2n1)c3
Show InChI InChI=1S/C20H19N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h6-8,11-13H,2,4,9-10H2,1H3,(H,21,29)(H,24,28)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355818
PNG
(US9815836, Compound 3 | US9815836, Compound 35)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
Show InChI InChI=1S/C20H23N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h6-8,11-13H,2-5,9-10H2,1H3,(H,21,29)(H,24,28)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355837
PNG
(US9815836, Compound 22)
Show SMILES OCCN1CCC(CC1)n1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
Show InChI InChI=1S/C26H34N8O3/c35-15-14-32-12-8-20(9-13-32)34-18-23-24(31-34)26(37)27-10-3-1-2-4-11-33-17-19(16-28-33)21-6-5-7-22(29-21)25(36)30-23/h5-7,16-18,20,35H,1-4,8-15H2,(H,27,37)(H,30,36)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355818
PNG
(US9815836, Compound 3 | US9815836, Compound 35)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
Show InChI InChI=1S/C20H23N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h6-8,11-13H,2-5,9-10H2,1H3,(H,21,29)(H,24,28)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355827
PNG
(US9815836, Compound 12)
Show SMILES O=C1NCCCCCCn2cc(cn2)-c2cccc(n2)C(=O)Nc2cn(nc12)C1CCOCC1
Show InChI InChI=1S/C24H29N7O3/c32-23-20-7-5-6-19(27-20)17-14-26-30(15-17)11-4-2-1-3-10-25-24(33)22-21(28-23)16-31(29-22)18-8-12-34-13-9-18/h5-7,14-16,18H,1-4,8-13H2,(H,25,33)(H,28,32)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355820
PNG
(US9815836, Compound 5)
Show SMILES CN1CCNC(=O)c2nn(C)cc2NC(=O)c2cccc(n2)-c2cnn(CCOC1=O)c2
Show InChI InChI=1S/C20H22N8O4/c1-26-7-6-21-19(30)17-16(12-27(2)25-17)24-18(29)15-5-3-4-14(23-15)13-10-22-28(11-13)8-9-32-20(26)31/h3-5,10-12H,6-9H2,1-2H3,(H,21,30)(H,24,29)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355822
PNG
(US9815836, Compound 7)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCN4CCOC(C4)CNC(=O)c2n1)c3
Show InChI InChI=1S/C21H24N8O3/c1-27-13-18-19(26-27)21(31)22-10-15-12-28(7-8-32-15)5-6-29-11-14(9-23-29)16-3-2-4-17(24-16)20(30)25-18/h2-4,9,11,13,15H,5-8,10,12H2,1H3,(H,22,31)(H,25,30)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355829
PNG
(US9815836, Compound 14)
Show SMILES O=C1NCCS(=O)CCCn2cc(cn2)-c2cccc(n2)C(=O)Nc2cn(nc12)C1CCOCC1
Show InChI InChI=1S/C23H27N7O4S/c31-22-19-4-1-3-18(26-19)16-13-25-29(14-16)8-2-11-35(33)12-7-24-23(32)21-20(27-22)15-30(28-21)17-5-9-34-10-6-17/h1,3-4,13-15,17H,2,5-12H2,(H,24,32)(H,27,31)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355840
PNG
(US9815836, Compound 25)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(C\C=C\CCCNC(=O)c2n1)c3
Show InChI InChI=1S/C20H21N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h3,5-8,11-13H,2,4,9-10H2,1H3,(H,21,29)(H,24,28)/b5-3+
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355842
PNG
(US9815836, Compound 28)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CC\C=C\CCNC(=O)c2n1)c3
Show InChI InChI=1S/C20H21N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h2-3,6-8,11-13H,4-5,9-10H2,1H3,(H,21,29)(H,24,28)/b3-2+
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355820
PNG
(US9815836, Compound 5)
Show SMILES CN1CCNC(=O)c2nn(C)cc2NC(=O)c2cccc(n2)-c2cnn(CCOC1=O)c2
Show InChI InChI=1S/C20H22N8O4/c1-26-7-6-21-19(30)17-16(12-27(2)25-17)24-18(29)15-5-3-4-14(23-15)13-10-22-28(11-13)8-9-32-20(26)31/h3-5,10-12H,6-9H2,1-2H3,(H,21,30)(H,24,29)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355824
PNG
(US9815836, Compound 9)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCN4CCC(C4)CNC(=O)c2n1)c3
Show InChI InChI=1S/C21H24N8O2/c1-27-13-18-19(26-27)21(31)22-9-14-5-6-28(11-14)7-8-29-12-15(10-23-29)16-3-2-4-17(24-16)20(30)25-18/h2-4,10,12-14H,5-9,11H2,1H3,(H,22,31)(H,25,30)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355826
PNG
(US9815836, Compound 11)
Show SMILES CN1CCCNC(=O)c2nn(C)cc2NC(=O)c2cccc(n2)-c2cnn(CC1)c2
Show InChI InChI=1S/C20H24N8O2/c1-26-8-4-7-21-20(30)18-17(13-27(2)25-18)24-19(29)16-6-3-5-15(23-16)14-11-22-28(12-14)10-9-26/h3,5-6,11-13H,4,7-10H2,1-2H3,(H,21,30)(H,24,29)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355833
PNG
(US9815836, Compound 18)
Show SMILES FC1(F)CC1C(=O)N1CCC(CC1)n1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
Show InChI InChI=1S/C28H32F2N8O3/c29-28(30)14-20(28)27(41)36-12-8-19(9-13-36)38-17-23-24(35-38)26(40)31-10-3-1-2-4-11-37-16-18(15-32-37)21-6-5-7-22(33-21)25(39)34-23/h5-7,15-17,19-20H,1-4,8-14H2,(H,31,40)(H,34,39)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355834
PNG
(US9815836, Compound 19)
Show SMILES O=C(NC1CC1)N1CCC(CC1)n1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
Show InChI InChI=1S/C28H35N9O3/c38-26-23-7-5-6-22(32-23)19-16-30-36(17-19)13-4-2-1-3-12-29-27(39)25-24(33-26)18-37(34-25)21-10-14-35(15-11-21)28(40)31-20-8-9-20/h5-7,16-18,20-21H,1-4,8-15H2,(H,29,39)(H,31,40)(H,33,38)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355838
PNG
(US9815836, Compound 23)
Show SMILES CN(C)CCN1CCC(CC1)n1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
Show InChI InChI=1S/C28H39N9O2/c1-34(2)16-17-35-14-10-22(11-15-35)37-20-25-26(33-37)28(39)29-12-5-3-4-6-13-36-19-21(18-30-36)23-8-7-9-24(31-23)27(38)32-25/h7-9,18-20,22H,3-6,10-17H2,1-2H3,(H,29,39)(H,32,38)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355839
PNG
(US9815836, Compound 24)
Show SMILES O=C1NCCCCCCn2cc(cn2)-c2cccc(c2)C(=O)Nc2cn(nc12)C1CCOCC1
Show InChI InChI=1S/C25H30N6O3/c32-24-19-7-5-6-18(14-19)20-15-27-30(16-20)11-4-2-1-3-10-26-25(33)23-22(28-24)17-31(29-23)21-8-12-34-13-9-21/h5-7,14-17,21H,1-4,8-13H2,(H,26,33)(H,28,32)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355828
PNG
(US9815836, Compound 13)
Show SMILES O=C1NCCSCCCn2cc(cn2)-c2cccc(n2)C(=O)Nc2cn(nc12)C1CCOCC1
Show InChI InChI=1S/C23H27N7O3S/c31-22-19-4-1-3-18(26-19)16-13-25-29(14-16)8-2-11-34-12-7-24-23(32)21-20(27-22)15-30(28-21)17-5-9-33-10-6-17/h1,3-4,13-15,17H,2,5-12H2,(H,24,32)(H,27,31)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355831
PNG
(US9815836, Compound 16)
Show SMILES O=C1NCCCCCCn2cc(cn2)-c2cccc(n2)C(=O)Nc2cn(nc12)C1CCNCC1
Show InChI InChI=1S/C24H30N8O2/c33-23-20-7-5-6-19(28-20)17-14-27-31(15-17)13-4-2-1-3-10-26-24(34)22-21(29-23)16-32(30-22)18-8-11-25-12-9-18/h5-7,14-16,18,25H,1-4,8-13H2,(H,26,34)(H,29,33)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355845
PNG
(US9815836, Compound 31 | US9815836, Compound 36)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCCC(O)C(O)CNC(=O)c2n1)c3
Show InChI InChI=1S/C20H23N7O4/c1-26-11-15-18(25-26)20(31)21-9-17(29)16(28)6-3-7-27-10-12(8-22-27)13-4-2-5-14(23-13)19(30)24-15/h2,4-5,8,10-11,16-17,28-29H,3,6-7,9H2,1H3,(H,21,31)(H,24,30)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355845
PNG
(US9815836, Compound 31 | US9815836, Compound 36)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCCC(O)C(O)CNC(=O)c2n1)c3
Show InChI InChI=1S/C20H23N7O4/c1-26-11-15-18(25-26)20(31)21-9-17(29)16(28)6-3-7-27-10-12(8-22-27)13-4-2-5-14(23-13)19(30)24-15/h2,4-5,8,10-11,16-17,28-29H,3,6-7,9H2,1H3,(H,21,31)(H,24,30)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355817
PNG
(US9815836, Compound 2 | US9815836, Compound 4)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCNC(=O)c2n1)c3
Show InChI InChI=1S/C18H19N7O2/c1-24-11-15-16(23-24)18(27)19-7-2-3-8-25-10-12(9-20-25)13-5-4-6-14(21-13)17(26)22-15/h4-6,9-11H,2-3,7-8H2,1H3,(H,19,27)(H,22,26)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355827
PNG
(US9815836, Compound 12)
Show SMILES O=C1NCCCCCCn2cc(cn2)-c2cccc(n2)C(=O)Nc2cn(nc12)C1CCOCC1
Show InChI InChI=1S/C24H29N7O3/c32-23-20-7-5-6-19(27-20)17-14-26-30(15-17)11-4-2-1-3-10-25-24(33)22-21(28-23)16-31(29-22)18-8-12-34-13-9-18/h5-7,14-16,18H,1-4,8-13H2,(H,25,33)(H,28,32)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355828
PNG
(US9815836, Compound 13)
Show SMILES O=C1NCCSCCCn2cc(cn2)-c2cccc(n2)C(=O)Nc2cn(nc12)C1CCOCC1
Show InChI InChI=1S/C23H27N7O3S/c31-22-19-4-1-3-18(26-19)16-13-25-29(14-16)8-2-11-34-12-7-24-23(32)21-20(27-22)15-30(28-21)17-5-9-33-10-6-17/h1,3-4,13-15,17H,2,5-12H2,(H,24,32)(H,27,31)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355829
PNG
(US9815836, Compound 14)
Show SMILES O=C1NCCS(=O)CCCn2cc(cn2)-c2cccc(n2)C(=O)Nc2cn(nc12)C1CCOCC1
Show InChI InChI=1S/C23H27N7O4S/c31-22-19-4-1-3-18(26-19)16-13-25-29(14-16)8-2-11-35(33)12-7-24-23(32)21-20(27-22)15-30(28-21)17-5-9-34-10-6-17/h1,3-4,13-15,17H,2,5-12H2,(H,24,32)(H,27,31)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355825
PNG
(US9815836, Compound 10)
Show SMILES CN1CCNC(=O)c2nn(C)cc2NC(=O)c2cccc(n2)-c2cnn(CC1)c2
Show InChI InChI=1S/C19H22N8O2/c1-25-7-6-20-19(29)17-16(12-26(2)24-17)23-18(28)15-5-3-4-14(22-15)13-10-21-27(11-13)9-8-25/h3-5,10-12H,6-9H2,1-2H3,(H,20,29)(H,23,28)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355834
PNG
(US9815836, Compound 19)
Show SMILES O=C(NC1CC1)N1CCC(CC1)n1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
Show InChI InChI=1S/C28H35N9O3/c38-26-23-7-5-6-22(32-23)19-16-30-36(17-19)13-4-2-1-3-12-29-27(39)25-24(33-26)18-37(34-25)21-10-14-35(15-11-21)28(40)31-20-8-9-20/h5-7,16-18,20-21H,1-4,8-15H2,(H,29,39)(H,31,40)(H,33,38)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355844
PNG
(US9815836, Compound 30)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCC\C=C/CNC(=O)c2n1)c3
Show InChI InChI=1S/C20H21N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h2,4,6-8,11-13H,3,5,9-10H2,1H3,(H,21,29)(H,24,28)/b4-2-
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355818
PNG
(US9815836, Compound 3 | US9815836, Compound 35)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
Show InChI InChI=1S/C20H23N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h6-8,11-13H,2-5,9-10H2,1H3,(H,21,29)(H,24,28)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355845
PNG
(US9815836, Compound 31 | US9815836, Compound 36)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCCC(O)C(O)CNC(=O)c2n1)c3
Show InChI InChI=1S/C20H23N7O4/c1-26-11-15-18(25-26)20(31)21-9-17(29)16(28)6-3-7-27-10-12(8-22-27)13-4-2-5-14(23-13)19(30)24-15/h2,4-5,8,10-11,16-17,28-29H,3,6-7,9H2,1H3,(H,21,31)(H,24,30)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355851
PNG
(US9815836, Compound 37)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(C\C=C/CCCNC(=O)c2n1)c3
Show InChI InChI=1S/C20H21N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h3,5-8,11-13H,2,4,9-10H2,1H3,(H,21,29)(H,24,28)/b5-3-
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355817
PNG
(US9815836, Compound 2 | US9815836, Compound 4)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCNC(=O)c2n1)c3
Show InChI InChI=1S/C18H19N7O2/c1-24-11-15-16(23-24)18(27)19-7-2-3-8-25-10-12(9-20-25)13-5-4-6-14(21-13)17(26)22-15/h4-6,9-11H,2-3,7-8H2,1H3,(H,19,27)(H,22,26)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355832
PNG
(US9815836, Compound 17)
Show SMILES CS(=O)(=O)N1CCC(CC1)n1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
Show InChI InChI=1S/C25H32N8O4S/c1-38(36,37)32-13-9-19(10-14-32)33-17-22-23(30-33)25(35)26-11-4-2-3-5-12-31-16-18(15-27-31)20-7-6-8-21(28-20)24(34)29-22/h6-8,15-17,19H,2-5,9-14H2,1H3,(H,26,35)(H,29,34)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355836
PNG
(US9815836, Compound 21)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCOC(=O)N4CCC(NC(=O)c2n1)C(O)C4)c3
Show InChI InChI=1S/C22H24N8O5/c1-28-11-17-19(27-28)21(33)25-15-5-6-29(12-18(15)31)22(34)35-8-7-30-10-13(9-23-30)14-3-2-4-16(24-14)20(32)26-17/h2-4,9-11,15,18,31H,5-8,12H2,1H3,(H,25,33)(H,26,32)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355830
PNG
(US9815836, Compound 15)
Show SMILES O=C1NCCS(=O)(=O)CCCn2cc(cn2)-c2cccc(n2)C(=O)Nc2cn(nc12)C1CCOCC1
Show InChI InChI=1S/C23H27N7O5S/c31-22-19-4-1-3-18(26-19)16-13-25-29(14-16)8-2-11-36(33,34)12-7-24-23(32)21-20(27-22)15-30(28-21)17-5-9-35-10-6-17/h1,3-4,13-15,17H,2,5-12H2,(H,24,32)(H,27,31)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355846
PNG
(US9815836, Compound 32)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CC(O)C(O)CCCNC(=O)c2n1)c3
Show InChI InChI=1S/C20H23N7O4/c1-26-10-15-18(25-26)20(31)21-7-3-6-16(28)17(29)11-27-9-12(8-22-27)13-4-2-5-14(23-13)19(30)24-15/h2,4-5,8-10,16-17,28-29H,3,6-7,11H2,1H3,(H,21,31)(H,24,30)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355816
PNG
(US9815836, Compound 1)
Show SMILES Cn1cc2NC(=O)c3cccc(c3)-c3cnn(CCCCCCNC(=O)c2n1)c3
Show InChI InChI=1S/C21H24N6O2/c1-26-14-18-19(25-26)21(29)22-9-4-2-3-5-10-27-13-17(12-23-27)15-7-6-8-16(11-15)20(28)24-18/h6-8,11-14H,2-5,9-10H2,1H3,(H,22,29)(H,24,28)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355823
PNG
(US9815836, Compound 8)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCOC(=O)N4CCOC(C4)CNC(=O)c2n1)c3
Show InChI InChI=1S/C22H24N8O5/c1-28-13-18-19(27-28)21(32)23-10-15-12-29(5-7-34-15)22(33)35-8-6-30-11-14(9-24-30)16-3-2-4-17(25-16)20(31)26-18/h2-4,9,11,13,15H,5-8,10,12H2,1H3,(H,23,32)(H,26,31)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355841
PNG
(US9815836, Compound 27)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CC\C=C/CCNC(=O)c2n1)c3
Show InChI InChI=1S/C20H21N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h2-3,6-8,11-13H,4-5,9-10H2,1H3,(H,21,29)(H,24,28)/b3-2-
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355831
PNG
(US9815836, Compound 16)
Show SMILES O=C1NCCCCCCn2cc(cn2)-c2cccc(n2)C(=O)Nc2cn(nc12)C1CCNCC1
Show InChI InChI=1S/C24H30N8O2/c33-23-20-7-5-6-19(28-20)17-14-27-31(15-17)13-4-2-1-3-10-26-24(34)22-21(29-23)16-32(30-22)18-8-11-25-12-9-18/h5-7,14-16,18,25H,1-4,8-13H2,(H,26,34)(H,29,33)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355837
PNG
(US9815836, Compound 22)
Show SMILES OCCN1CCC(CC1)n1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
Show InChI InChI=1S/C26H34N8O3/c35-15-14-32-12-8-20(9-13-32)34-18-23-24(31-34)26(37)27-10-3-1-2-4-11-33-17-19(16-28-33)21-6-5-7-22(29-21)25(36)30-23/h5-7,16-18,20,35H,1-4,8-15H2,(H,27,37)(H,30,36)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355843
PNG
(US9815836, Compound 29 | US9815836, Compound 34)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCC\C=C\CNC(=O)c2n1)c3
Show InChI InChI=1S/C20H21N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h2,4,6-8,11-13H,3,5,9-10H2,1H3,(H,21,29)(H,24,28)/b4-2+
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355845
PNG
(US9815836, Compound 31 | US9815836, Compound 36)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCCC(O)C(O)CNC(=O)c2n1)c3
Show InChI InChI=1S/C20H23N7O4/c1-26-11-15-18(25-26)20(31)21-9-17(29)16(28)6-3-7-27-10-12(8-22-27)13-4-2-5-14(23-13)19(30)24-15/h2,4-5,8,10-11,16-17,28-29H,3,6-7,9H2,1H3,(H,21,31)(H,24,30)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355843
PNG
(US9815836, Compound 29 | US9815836, Compound 34)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCC\C=C\CNC(=O)c2n1)c3
Show InChI InChI=1S/C20H21N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h2,4,6-8,11-13H,3,5,9-10H2,1H3,(H,21,29)(H,24,28)/b4-2+
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355842
PNG
(US9815836, Compound 28)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CC\C=C\CCNC(=O)c2n1)c3
Show InChI InChI=1S/C20H21N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h2-3,6-8,11-13H,4-5,9-10H2,1H3,(H,21,29)(H,24,28)/b3-2+
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355818
PNG
(US9815836, Compound 3 | US9815836, Compound 35)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
Show InChI InChI=1S/C20H23N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h6-8,11-13H,2-5,9-10H2,1H3,(H,21,29)(H,24,28)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355833
PNG
(US9815836, Compound 18)
Show SMILES FC1(F)CC1C(=O)N1CCC(CC1)n1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
Show InChI InChI=1S/C28H32F2N8O3/c29-28(30)14-20(28)27(41)36-12-8-19(9-13-36)38-17-23-24(35-38)26(40)31-10-3-1-2-4-11-37-16-18(15-32-37)21-6-5-7-22(33-21)25(39)34-23/h5-7,15-17,19-20H,1-4,8-14H2,(H,31,40)(H,34,39)
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US Patent


Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355838
PNG
(US9815836, Compound 23)
Show SMILES CN(C)CCN1CCC(CC1)n1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
Show InChI InChI=1S/C28H39N9O2/c1-34(2)16-17-35-14-10-22(11-15-35)37-20-25-26(33-37)28(39)29-12-5-3-4-6-13-36-19-21(18-30-36)23-8-7-9-24(31-23)27(38)32-25/h7-9,18-20,22H,3-6,10-17H2,1-2H3,(H,29,39)(H,32,38)
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US Patent


Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355839
PNG
(US9815836, Compound 24)
Show SMILES O=C1NCCCCCCn2cc(cn2)-c2cccc(c2)C(=O)Nc2cn(nc12)C1CCOCC1
Show InChI InChI=1S/C25H30N6O3/c32-24-19-7-5-6-18(14-19)20-15-27-30(16-20)11-4-2-1-3-10-26-25(33)23-22(28-24)17-31(29-23)21-8-12-34-13-9-21/h5-7,14-17,21H,1-4,8-13H2,(H,26,33)(H,28,32)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355847
PNG
(US9815836, Compound 33)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCC(O)C(O)CCNC(=O)c2n1)c3
Show InChI InChI=1S/C20H23N7O4/c1-26-11-15-18(25-26)20(31)21-7-5-16(28)17(29)6-8-27-10-12(9-22-27)13-3-2-4-14(23-13)19(30)24-15/h2-4,9-11,16-17,28-29H,5-8H2,1H3,(H,21,31)(H,24,30)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355825
PNG
(US9815836, Compound 10)
Show SMILES CN1CCNC(=O)c2nn(C)cc2NC(=O)c2cccc(n2)-c2cnn(CC1)c2
Show InChI InChI=1S/C19H22N8O2/c1-25-7-6-20-19(29)17-16(12-26(2)24-17)23-18(28)15-5-3-4-14(22-15)13-10-21-27(11-13)9-8-25/h3-5,10-12H,6-9H2,1-2H3,(H,20,29)(H,23,28)
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US Patent


Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355817
PNG
(US9815836, Compound 2 | US9815836, Compound 4)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCNC(=O)c2n1)c3
Show InChI InChI=1S/C18H19N7O2/c1-24-11-15-16(23-24)18(27)19-7-2-3-8-25-10-12(9-20-25)13-5-4-6-14(21-13)17(26)22-15/h4-6,9-11H,2-3,7-8H2,1H3,(H,19,27)(H,22,26)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355824
PNG
(US9815836, Compound 9)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCN4CCC(C4)CNC(=O)c2n1)c3
Show InChI InChI=1S/C21H24N8O2/c1-27-13-18-19(26-27)21(31)22-9-14-5-6-28(11-14)7-8-29-12-15(10-23-29)16-3-2-4-17(24-16)20(30)25-18/h2-4,10,12-14H,5-9,11H2,1H3,(H,22,31)(H,25,30)
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US Patent


Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355826
PNG
(US9815836, Compound 11)
Show SMILES CN1CCCNC(=O)c2nn(C)cc2NC(=O)c2cccc(n2)-c2cnn(CC1)c2
Show InChI InChI=1S/C20H24N8O2/c1-26-8-4-7-21-20(30)18-17(13-27(2)25-18)24-19(29)16-6-3-5-15(23-16)14-11-22-28(12-14)10-9-26/h3,5-6,11-13H,4,7-10H2,1-2H3,(H,21,30)(H,24,29)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355822
PNG
(US9815836, Compound 7)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCN4CCOC(C4)CNC(=O)c2n1)c3
Show InChI InChI=1S/C21H24N8O3/c1-27-13-18-19(26-27)21(31)22-10-15-12-28(7-8-32-15)5-6-29-11-14(9-23-29)16-3-2-4-17(24-16)20(30)25-18/h2-4,9,11,13,15H,5-8,10,12H2,1H3,(H,22,31)(H,25,30)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355836
PNG
(US9815836, Compound 21)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCOC(=O)N4CCC(NC(=O)c2n1)C(O)C4)c3
Show InChI InChI=1S/C22H24N8O5/c1-28-11-17-19(27-28)21(33)25-15-5-6-29(12-18(15)31)22(34)35-8-7-30-10-13(9-23-30)14-3-2-4-16(24-14)20(32)26-17/h2-4,9-11,15,18,31H,5-8,12H2,1H3,(H,25,33)(H,26,32)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355817
PNG
(US9815836, Compound 2 | US9815836, Compound 4)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCNC(=O)c2n1)c3
Show InChI InChI=1S/C18H19N7O2/c1-24-11-15-16(23-24)18(27)19-7-2-3-8-25-10-12(9-20-25)13-5-4-6-14(21-13)17(26)22-15/h4-6,9-11H,2-3,7-8H2,1H3,(H,19,27)(H,22,26)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355821
PNG
(US9815836, Compound 6)
Show SMILES O=C1NCCCCCn2cc(cn2)-c2cccc(c2)C(=O)Nc2cn(nc12)C1CCOCC1
Show InChI InChI=1S/C24H28N6O3/c31-23-18-6-4-5-17(13-18)19-14-26-29(15-19)10-3-1-2-9-25-24(32)22-21(27-23)16-30(28-22)20-7-11-33-12-8-20/h4-6,13-16,20H,1-3,7-12H2,(H,25,32)(H,27,31)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355823
PNG
(US9815836, Compound 8)
Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCOC(=O)N4CCOC(C4)CNC(=O)c2n1)c3
Show InChI InChI=1S/C22H24N8O5/c1-28-13-18-19(27-28)21(32)23-10-15-12-29(5-7-34-15)22(33)35-8-6-30-11-14(9-24-30)16-3-2-4-17(25-16)20(31)26-18/h2-4,9,11,13,15H,5-8,10,12H2,1H3,(H,23,32)(H,26,31)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355835
PNG
(US9815836, Compound 20)
Show SMILES O=C1NCCOCCn2cc(cn2)-c2cccc(c2)C(=O)Nc2cn(nc12)C1CCOCC1
Show InChI InChI=1S/C23H26N6O4/c30-22-17-3-1-2-16(12-17)18-13-25-28(14-18)7-11-33-10-6-24-23(31)21-20(26-22)15-29(27-21)19-4-8-32-9-5-19/h1-3,12-15,19H,4-11H2,(H,24,31)(H,26,30)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM355821
PNG
(US9815836, Compound 6)
Show SMILES O=C1NCCCCCn2cc(cn2)-c2cccc(c2)C(=O)Nc2cn(nc12)C1CCOCC1
Show InChI InChI=1S/C24H28N6O3/c31-23-18-6-4-5-17(13-18)19-14-26-29(15-19)10-3-1-2-9-25-24(32)22-21(27-23)16-30(28-22)20-7-11-33-12-8-20/h4-6,13-16,20H,1-3,7-12H2,(H,25,32)(H,27,31)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM355835
PNG
(US9815836, Compound 20)
Show SMILES O=C1NCCOCCn2cc(cn2)-c2cccc(c2)C(=O)Nc2cn(nc12)C1CCOCC1
Show InChI InChI=1S/C23H26N6O4/c30-22-17-3-1-2-16(12-17)18-13-25-28(14-18)7-11-33-10-6-24-23(31)21-20(26-22)15-29(27-21)19-4-8-32-9-5-19/h1-3,12-15,19H,4-11H2,(H,24,31)(H,26,30)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...

US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%