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Patent code US9790221

Compile Data Set for Download or QSAR

Found 574 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 1 [194-712]


(Homo sapiens (Human))		BDBM347801
PNG
(US9790221, Compound 7)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCNCC2)n1
Show InChI InChI=1S/C24H28N8/c1-31-15-20(12-28-31)18-4-3-5-19(10-18)23-27-14-22(21-13-29-32(2)16-21)24(30-23)26-11-17-6-8-25-9-7-17/h3-5,10,12-17,25H,6-9,11H2,1-2H3,(H,26,27,30)
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US Patent


Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347804
PNG
(US9790221, Compound 10)
Show SMILES Cn1ccc(n1)-c1cnc(nc1NCC1CCCNC1)-c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C24H28N8/c1-31-10-8-22(30-31)21-15-27-23(29-24(21)26-13-17-5-4-9-25-12-17)19-7-3-6-18(11-19)20-14-28-32(2)16-20/h3,6-8,10-11,14-17,25H,4-5,9,12-13H2,1-2H3,(H,26,27,29)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347814
PNG
(US9790221, Compound 20)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2nnc(s2)C(=O)N2CC[C@@H](O)C2)c(NC2CCCNC2)n1 |r|
Show InChI InChI=1S/C26H29N9O2S/c1-34-14-18(11-29-34)16-4-2-5-17(10-16)22-28-13-21(23(31-22)30-19-6-3-8-27-12-19)24-32-33-25(38-24)26(37)35-9-7-20(36)15-35/h2,4-5,10-11,13-14,19-20,27,36H,3,6-9,12,15H2,1H3,(H,28,30,31)/t19?,20-/m1/s1
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347820
PNG
(US9790221, Compound 26)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC(O)=O)n1
Show InChI InChI=1S/C20H19N7O2/c1-26-11-15(7-23-26)13-4-3-5-14(6-13)19-21-9-17(16-8-24-27(2)12-16)20(25-19)22-10-18(28)29/h3-9,11-12H,10H2,1-2H3,(H,28,29)(H,21,22,25)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347821
PNG
(US9790221, Compound 27)
Show SMILES Cn1ccc(n1)-c1cnc(nc1NC1CCC1)-c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C22H23N7/c1-28-10-9-20(27-28)19-13-23-21(26-22(19)25-18-7-4-8-18)16-6-3-5-15(11-16)17-12-24-29(2)14-17/h3,5-6,9-14,18H,4,7-8H2,1-2H3,(H,23,25,26)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347824
PNG
(US9790221, Compound 30)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC2)n1
Show InChI InChI=1S/C21H21N7/c1-27-12-16(9-23-27)14-4-3-5-15(8-14)20-22-11-19(17-10-24-28(2)13-17)21(26-20)25-18-6-7-18/h3-5,8-13,18H,6-7H2,1-2H3,(H,22,25,26)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347827
PNG
(US9790221, Compound 33)
Show SMILES Cn1ccc(n1)-c1cnc(nc1NC1CCCC1)-c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C23H25N7/c1-29-11-10-21(28-29)20-14-24-22(27-23(20)26-19-8-3-4-9-19)17-7-5-6-16(12-17)18-13-25-30(2)15-18/h5-7,10-15,19H,3-4,8-9H2,1-2H3,(H,24,26,27)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347830
PNG
(US9790221, Compound 36)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCN2CCOCC2)n1
Show InChI InChI=1S/C24H28N8O/c1-30-16-20(13-27-30)18-4-3-5-19(12-18)23-26-15-22(21-14-28-31(2)17-21)24(29-23)25-6-7-32-8-10-33-11-9-32/h3-5,12-17H,6-11H2,1-2H3,(H,25,26,29)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347833
PNG
(US9790221, Compound 39)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCN2CCCC2=O)n1
Show InChI InChI=1S/C24H26N8O/c1-30-15-19(12-27-30)17-5-3-6-18(11-17)23-26-14-21(20-13-28-31(2)16-20)24(29-23)25-8-10-32-9-4-7-22(32)33/h3,5-6,11-16H,4,7-10H2,1-2H3,(H,25,26,29)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347836
PNG
(US9790221, Compound 42)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CC(F)(F)C2)n1
Show InChI InChI=1S/C23H23F2N7/c1-31-13-18(10-28-31)16-4-3-5-17(6-16)21-27-12-20(19-11-29-32(2)14-19)22(30-21)26-9-15-7-23(24,25)8-15/h3-6,10-15H,7-9H2,1-2H3,(H,26,27,30)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347836
PNG
(US9790221, Compound 42)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CC(F)(F)C2)n1
Show InChI InChI=1S/C23H23F2N7/c1-31-13-18(10-28-31)16-4-3-5-17(6-16)21-27-12-20(19-11-29-32(2)14-19)22(30-21)26-9-15-7-23(24,25)8-15/h3-6,10-15H,7-9H2,1-2H3,(H,26,27,30)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347841
PNG
(US9790221, Compound 47)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2C[C@H](O)C2)n1 |r,wU:24.26,wD:26.29,(3.6,5.83,;2.11,6.23,;1.2,4.98,;-.26,5.46,;-.26,7,;1.21,7.48,;-1.59,4.7,;-2.93,5.47,;-4.26,4.7,;-4.27,3.16,;-2.93,2.39,;-1.6,3.16,;-2.94,.85,;-4.27,.08,;-4.28,-1.46,;-2.94,-2.23,;-2.95,-3.77,;-4.2,-4.67,;-3.72,-6.14,;-2.18,-6.14,;-1.41,-7.48,;-1.7,-4.68,;-1.61,-1.46,;-.28,-2.24,;1.06,-1.47,;1.46,.02,;2.94,-.38,;4.28,.39,;2.54,-1.87,;-1.61,.08,)|
Show InChI InChI=1S/C22H23N7O/c1-28-12-16(9-24-28)14-4-3-5-15(6-14)21-23-11-20(17-10-25-29(2)13-17)22(27-21)26-18-7-19(30)8-18/h3-6,9-13,18-19,30H,7-8H2,1-2H3,(H,23,26,27)/t18-,19-
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347843
PNG
(US9790221, Compound 49)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2C[C@H](C2)S(C)(=O)=O)n1 |r,wU:24.26,26.31,(2.93,5.83,;1.45,6.23,;.54,4.98,;-.93,5.46,;-.92,7,;.54,7.48,;-2.26,4.7,;-3.59,5.47,;-4.93,4.7,;-4.93,3.16,;-3.6,2.39,;-2.26,3.16,;-3.6,.85,;-4.94,.08,;-4.94,-1.46,;-3.61,-2.23,;-3.61,-3.77,;-4.86,-4.67,;-4.39,-6.14,;-2.85,-6.14,;-2.08,-7.48,;-2.37,-4.68,;-2.28,-1.46,;-.94,-2.24,;.39,-1.47,;.79,.02,;2.28,-.38,;1.88,-1.86,;3.61,.4,;4.94,-.37,;2.84,1.73,;4.38,1.73,;-2.27,.08,)|
Show InChI InChI=1S/C23H25N7O2S/c1-29-13-17(10-25-29)15-5-4-6-16(7-15)22-24-12-21(18-11-26-30(2)14-18)23(28-22)27-19-8-20(9-19)33(3,31)32/h4-7,10-14,19-20H,8-9H2,1-3H3,(H,24,27,28)/t19-,20+
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347843
PNG
(US9790221, Compound 49)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2C[C@H](C2)S(C)(=O)=O)n1 |r,wU:24.26,26.31,(2.93,5.83,;1.45,6.23,;.54,4.98,;-.93,5.46,;-.92,7,;.54,7.48,;-2.26,4.7,;-3.59,5.47,;-4.93,4.7,;-4.93,3.16,;-3.6,2.39,;-2.26,3.16,;-3.6,.85,;-4.94,.08,;-4.94,-1.46,;-3.61,-2.23,;-3.61,-3.77,;-4.86,-4.67,;-4.39,-6.14,;-2.85,-6.14,;-2.08,-7.48,;-2.37,-4.68,;-2.28,-1.46,;-.94,-2.24,;.39,-1.47,;.79,.02,;2.28,-.38,;1.88,-1.86,;3.61,.4,;4.94,-.37,;2.84,1.73,;4.38,1.73,;-2.27,.08,)|
Show InChI InChI=1S/C23H25N7O2S/c1-29-13-17(10-25-29)15-5-4-6-16(7-15)22-24-12-21(18-11-26-30(2)14-18)23(28-22)27-19-8-20(9-19)33(3,31)32/h4-7,10-14,19-20H,8-9H2,1-3H3,(H,24,27,28)/t19-,20+
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347849
PNG
(US9790221, Compound 55)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCN2CCS(=O)(=O)CC2)n1
Show InChI InChI=1S/C24H28N8O2S/c1-30-16-20(13-27-30)18-4-3-5-19(12-18)23-26-15-22(21-14-28-31(2)17-21)24(29-23)25-6-7-32-8-10-35(33,34)11-9-32/h3-5,12-17H,6-11H2,1-2H3,(H,25,26,29)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347858
PNG
(US9790221, Compound 64)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@H]2CCNC2)n1 |r|
Show InChI InChI=1S/C23H26N8/c1-30-14-19(11-27-30)17-4-3-5-18(8-17)22-26-13-21(20-12-28-31(2)15-20)23(29-22)25-10-16-6-7-24-9-16/h3-5,8,11-16,24H,6-7,9-10H2,1-2H3,(H,25,26,29)/t16-/m0/s1
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347867
PNG
(US9790221, Compound 73)
Show SMILES CC(=O)NCCNc1nc(ncc1-c1ccn(C)n1)-c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C22H24N8O/c1-15(31)23-8-9-24-22-19(20-7-10-29(2)28-20)13-25-21(27-22)17-6-4-5-16(11-17)18-12-26-30(3)14-18/h4-7,10-14H,8-9H2,1-3H3,(H,23,31)(H,24,25,27)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347877
PNG
(US9790221, Compound 83)
Show SMILES Cn1ccc(n1)-c1cnc(nc1NC[C@@H](O)CO)-c1cccc(c1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C21H23N7O2/c1-27-7-6-19(26-27)18-11-23-20(25-21(18)22-10-17(30)13-29)15-5-3-4-14(8-15)16-9-24-28(2)12-16/h3-9,11-12,17,29-30H,10,13H2,1-2H3,(H,22,23,25)/t17-/m1/s1
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347879
PNG
(US9790221, Compound 85)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCC2CCNC2)n1
Show InChI InChI=1S/C24H28N8/c1-31-15-20(12-28-31)18-4-3-5-19(10-18)23-27-14-22(21-13-29-32(2)16-21)24(30-23)26-9-7-17-6-8-25-11-17/h3-5,10,12-17,25H,6-9,11H2,1-2H3,(H,26,27,30)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347883
PNG
(US9790221, Compound 89)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCN)n1
Show InChI InChI=1S/C21H24N8/c1-28-13-17(10-25-28)15-5-3-6-16(9-15)20-24-12-19(18-11-26-29(2)14-18)21(27-20)23-8-4-7-22/h3,5-6,9-14H,4,7-8,22H2,1-2H3,(H,23,24,27)
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US Patent


Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347893
PNG
(US9790221, Compound 99)
Show SMILES Cn1ccc(n1)-c1cnc(nc1NC1CC(CN)(CCl)C1)-c1cccc(c1)-c1cnn(C)c1 |(-1.69,-7.48,;-2.46,-6.14,;-4,-6.14,;-4.48,-4.67,;-3.23,-3.77,;-1.98,-4.68,;-3.22,-2.23,;-4.56,-1.46,;-4.55,.08,;-3.22,.85,;-1.88,.08,;-1.89,-1.46,;-.56,-2.24,;.78,-1.47,;2.27,-1.87,;2.67,-.39,;3.07,1.1,;4.56,.7,;4.15,-.79,;4.55,-2.28,;1.18,.02,;-3.21,2.39,;-4.54,3.16,;-4.54,4.7,;-3.21,5.47,;-1.87,4.7,;-1.88,3.16,;-.54,5.46,;-.54,7,;.93,7.48,;1.83,6.23,;3.37,6.23,;.92,4.98,)|
Show InChI InChI=1S/C24H27ClN8/c1-32-7-6-21(31-32)20-12-27-22(30-23(20)29-19-9-24(10-19,14-25)15-26)17-5-3-4-16(8-17)18-11-28-33(2)13-18/h3-8,11-13,19H,9-10,14-15,26H2,1-2H3,(H,27,29,30)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347903
PNG
(US9790221, Compound 109)
Show SMILES CC(=O)NCCCNc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C23H26N8O/c1-16(32)24-8-5-9-25-23-21(20-12-28-31(3)15-20)13-26-22(29-23)18-7-4-6-17(10-18)19-11-27-30(2)14-19/h4,6-7,10-15H,5,8-9H2,1-3H3,(H,24,32)(H,25,26,29)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347906
PNG
(US9790221, Compound 112)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2(O)CCNCC2(C)C)n1
Show InChI InChI=1S/C26H32N8O/c1-25(2)16-27-9-8-26(25,35)17-29-24-22(21-12-31-34(4)15-21)13-28-23(32-24)19-7-5-6-18(10-19)20-11-30-33(3)14-20/h5-7,10-15,27,35H,8-9,16-17H2,1-4H3,(H,28,29,32)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347909
PNG
(US9790221, Compound 115)
Show SMILES Cn1ccc(n1)-c1cnc(nc1NCC1CNCCO1)-c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C23H26N8O/c1-30-8-6-21(29-30)20-14-26-22(28-23(20)25-13-19-12-24-7-9-32-19)17-5-3-4-16(10-17)18-11-27-31(2)15-18/h3-6,8,10-11,14-15,19,24H,7,9,12-13H2,1-2H3,(H,25,26,28)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347910
PNG
(US9790221, Compound 116)
Show SMILES Cn1ccc(n1)-c1cnc(nc1NC[C@H]1CCNC[C@H]1O)-c1cccc(c1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C24H28N8O/c1-31-9-7-21(30-31)20-13-27-23(29-24(20)26-11-18-6-8-25-14-22(18)33)17-5-3-4-16(10-17)19-12-28-32(2)15-19/h3-5,7,9-10,12-13,15,18,22,25,33H,6,8,11,14H2,1-2H3,(H,26,27,29)/t18-,22-/m1/s1
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347911
PNG
(US9790221, Compound 117)
Show SMILES Cn1ccc(n1)-c1cnc(nc1N[C@H]1CCNC1)-c1cccc(c1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C22H24N8/c1-29-9-7-20(28-29)19-13-24-21(27-22(19)26-18-6-8-23-12-18)16-5-3-4-15(10-16)17-11-25-30(2)14-17/h3-5,7,9-11,13-14,18,23H,6,8,12H2,1-2H3,(H,24,26,27)/t18-/m0/s1
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347912
PNG
(US9790221, Compound 118)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(OCC2CCCO2)n1
Show InChI InChI=1S/C23H24N6O2/c1-28-13-18(10-25-28)16-5-3-6-17(9-16)22-24-12-21(19-11-26-29(2)14-19)23(27-22)31-15-20-7-4-8-30-20/h3,5-6,9-14,20H,4,7-8,15H2,1-2H3
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347913
PNG
(US9790221, Compound 119)
Show SMILES Cn1ccc(n1)-c1cnc(nc1NC1CCOC1)-c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C22H23N7O/c1-28-8-6-20(27-28)19-12-23-21(26-22(19)25-18-7-9-30-14-18)16-5-3-4-15(10-16)17-11-24-29(2)13-17/h3-6,8,10-13,18H,7,9,14H2,1-2H3,(H,23,25,26)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347939
PNG
(US9790221, Compound 145)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCNC2)n1
Show InChI InChI=1S/C23H26N8/c1-30-14-19(11-27-30)17-4-3-5-18(8-17)22-26-13-21(20-12-28-31(2)15-20)23(29-22)25-10-16-6-7-24-9-16/h3-5,8,11-16,24H,6-7,9-10H2,1-2H3,(H,25,26,29)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347941
PNG
(US9790221, Compound 147)
Show SMILES Cn1ccc(n1)-c1cnc(nc1N[C@H]1CC[C@H](O)CC1)-c1cccc(c1)-c1cnn(C)c1 |r,wU:16.18,wD:13.14,(-1.79,-7.48,;-2.56,-6.15,;-4.1,-6.15,;-4.58,-4.68,;-3.33,-3.78,;-2.09,-4.68,;-3.33,-2.24,;-4.67,-1.47,;-4.67,.07,;-3.33,.84,;-2,.07,;-2,-1.47,;-.67,-2.24,;.67,-1.47,;2,-2.24,;3.33,-1.47,;3.33,.07,;4.67,.84,;2,.84,;.67,.07,;-3.33,2.38,;-4.67,3.15,;-4.67,4.69,;-3.33,5.46,;-2,4.69,;-2,3.15,;-.67,5.46,;-.67,7,;.8,7.48,;1.7,6.23,;3.19,5.84,;.8,4.99,)|
Show InChI InChI=1S/C24H27N7O/c1-30-11-10-22(29-30)21-14-25-23(28-24(21)27-19-6-8-20(32)9-7-19)17-5-3-4-16(12-17)18-13-26-31(2)15-18/h3-5,10-15,19-20,32H,6-9H2,1-2H3,(H,25,27,28)/t19-,20-
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347944
PNG
(US9790221, Compound 150)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCC3CNCC23)n1
Show InChI InChI=1S/C25H28N8/c1-32-14-19(10-28-32)16-4-3-5-17(8-16)24-27-13-22(20-11-29-33(2)15-20)25(31-24)30-23-7-6-18-9-26-12-21(18)23/h3-5,8,10-11,13-15,18,21,23,26H,6-7,9,12H2,1-2H3,(H,27,30,31)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347948
PNG
(US9790221, Compound 154)
Show SMILES Cn1ccc(n1)-c1cnc(nc1NC1CCC2CNCC12)-c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C25H28N8/c1-32-9-8-23(31-32)21-14-27-24(17-5-3-4-16(10-17)19-12-28-33(2)15-19)30-25(21)29-22-7-6-18-11-26-13-20(18)22/h3-5,8-10,12,14-15,18,20,22,26H,6-7,11,13H2,1-2H3,(H,27,29,30)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347950
PNG
(US9790221, Compound 156)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@H]2CC[C@H](O)CC2)n1 |r,wU:28.31,wD:25.27,(2.52,5.84,;1.04,6.23,;.13,4.99,;-1.33,5.46,;-1.33,7,;.13,7.48,;-2.67,4.69,;-4,5.46,;-5.33,4.69,;-5.33,3.15,;-4,2.38,;-2.67,3.15,;-4,.84,;-5.33,.07,;-5.33,-1.47,;-4,-2.24,;-4,-3.78,;-5.25,-4.68,;-4.77,-6.15,;-3.23,-6.15,;-2.46,-7.48,;-2.76,-4.68,;-2.67,-1.47,;-1.33,-2.24,;,-1.47,;1.33,-2.24,;1.33,-3.78,;2.67,-4.55,;4,-3.78,;5.33,-4.55,;4,-2.24,;2.67,-1.47,;-2.67,.07,)|
Show InChI InChI=1S/C25H29N7O/c1-31-15-20(12-28-31)18-4-3-5-19(10-18)24-27-14-23(21-13-29-32(2)16-21)25(30-24)26-11-17-6-8-22(33)9-7-17/h3-5,10,12-17,22,33H,6-9,11H2,1-2H3,(H,26,27,30)/t17-,22-
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347957
PNG
(US9790221, Compound 163)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCC2)n1
Show InChI InChI=1S/C23H25N7/c1-29-14-19(11-26-29)17-7-4-8-18(9-17)22-25-13-21(20-12-27-30(2)15-20)23(28-22)24-10-16-5-3-6-16/h4,7-9,11-16H,3,5-6,10H2,1-2H3,(H,24,25,28)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347966
PNG
(US9790221, Compound 172)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CN(CCO2)S(C)(=O)=O)n1
Show InChI InChI=1S/C24H28N8O3S/c1-30-14-19(10-27-30)17-5-4-6-18(9-17)23-26-13-22(20-11-28-31(2)15-20)24(29-23)25-12-21-16-32(7-8-35-21)36(3,33)34/h4-6,9-11,13-15,21H,7-8,12,16H2,1-3H3,(H,25,26,29)
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US Patent


Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347968
PNG
(US9790221, Compound 174)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@H]2CCN(C2)S(C)(=O)=O)n1 |r|
Show InChI InChI=1S/C24H28N8O2S/c1-30-15-20(11-27-30)18-5-4-6-19(9-18)23-26-13-22(21-12-28-31(2)16-21)24(29-23)25-10-17-7-8-32(14-17)35(3,33)34/h4-6,9,11-13,15-17H,7-8,10,14H2,1-3H3,(H,25,26,29)/t17-/m1/s1
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US Patent


Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347969
PNG
(US9790221, Compound 175)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCC2CCN(C2)S(C)(=O)=O)n1
Show InChI InChI=1S/C25H30N8O2S/c1-31-16-21(12-28-31)19-5-4-6-20(11-19)24-27-14-23(22-13-29-32(2)17-22)25(30-24)26-9-7-18-8-10-33(15-18)36(3,34)35/h4-6,11-14,16-18H,7-10,15H2,1-3H3,(H,26,27,30)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347983
PNG
(US9790221, Compound 189)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC3CC2N(C3)S(C)(=O)=O)n1
Show InChI InChI=1S/C25H28N8O2S/c1-31-14-19(10-27-31)17-5-4-6-18(9-17)24-26-12-21(20-11-28-32(2)15-20)25(30-24)29-22-7-16-8-23(22)33(13-16)36(3,34)35/h4-6,9-12,14-16,22-23H,7-8,13H2,1-3H3,(H,26,29,30)
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US Patent


Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347986
PNG
(US9790221, Compound 192)
Show SMILES Cc1nnc(s1)-c1cnc(nc1NCC1CN(C1)S(C)(=O)=O)-c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C22H24N8O2S2/c1-14-27-28-22(33-14)19-10-24-20(17-6-4-5-16(7-17)18-9-25-29(2)13-18)26-21(19)23-8-15-11-30(12-15)34(3,31)32/h4-7,9-10,13,15H,8,11-12H2,1-3H3,(H,23,24,26)
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US Patent


Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347992
PNG
(US9790221, Compound 198)
Show SMILES CC(=O)NCC1CCC(CC1)Nc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1 |(6.67,.07,;5.33,.84,;5.33,2.38,;4,.07,;2.67,.84,;1.33,.07,;1.33,-1.47,;,-2.24,;-1.33,-1.47,;-1.33,.07,;,.84,;-2.67,-2.24,;-4,-1.47,;-4,.07,;-5.33,.84,;-6.67,.07,;-6.67,-1.47,;-5.33,-2.24,;-5.33,-3.78,;-6.58,-4.68,;-6.1,-6.15,;-4.56,-6.15,;-3.79,-7.48,;-4.09,-4.68,;-5.33,2.38,;-6.67,3.15,;-6.67,4.69,;-5.33,5.46,;-4,4.69,;-4,3.15,;-2.67,5.46,;-2.67,7,;-1.2,7.48,;-.3,6.23,;1.19,5.84,;-1.2,4.99,)|
Show InChI InChI=1S/C27H32N8O/c1-18(36)28-12-19-7-9-24(10-8-19)32-27-25(23-14-31-35(3)17-23)15-29-26(33-27)21-6-4-5-20(11-21)22-13-30-34(2)16-22/h4-6,11,13-17,19,24H,7-10,12H2,1-3H3,(H,28,36)(H,29,32,33)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347993
PNG
(US9790221, Compound 199)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC3CCC2N3S(C)(=O)=O)n1 |TLB:31:30:28.27:24.25,23:24:28.27:30|
Show InChI InChI=1S/C25H28N8O2S/c1-31-14-18(11-27-31)16-5-4-6-17(9-16)24-26-13-21(19-12-28-32(2)15-19)25(30-24)29-22-10-20-7-8-23(22)33(20)36(3,34)35/h4-6,9,11-15,20,22-23H,7-8,10H2,1-3H3,(H,26,29,30)
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US Patent


Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM348003
PNG
(US9790221, Compound 211)
Show SMILES CC(=O)NC[C@H]1C[C@H](C1)Nc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1 |r,wU:7.9,5.4,(6.28,-.4,;4.95,.38,;4.95,1.92,;3.61,-.39,;2.28,.38,;.94,-.39,;.54,-1.87,;-.94,-1.47,;-.54,.02,;-2.28,-2.24,;-3.61,-1.46,;-3.61,.08,;-4.94,.85,;-6.28,.08,;-6.28,-1.46,;-4.95,-2.23,;-4.95,-3.77,;-6.2,-4.67,;-5.73,-6.14,;-4.19,-6.14,;-3.42,-7.48,;-3.71,-4.68,;-4.94,2.39,;-6.27,3.16,;-6.26,4.7,;-4.93,5.47,;-3.6,4.7,;-3.6,3.16,;-2.26,5.46,;-2.26,7,;-.79,7.48,;.11,6.23,;1.6,5.83,;-.8,4.98,)|
Show InChI InChI=1S/C25H28N8O/c1-16(34)26-10-17-7-22(8-17)30-25-23(21-12-29-33(3)15-21)13-27-24(31-25)19-6-4-5-18(9-19)20-11-28-32(2)14-20/h4-6,9,11-15,17,22H,7-8,10H2,1-3H3,(H,26,34)(H,27,30,31)/t17-,22+
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US Patent


Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM348006
PNG
(US9790221, Compound 214)
Show SMILES Cc1nnc(s1)-c1cnc(nc1NC1CCC(F)(F)CC1)-c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C23H23F2N7S/c1-14-30-31-22(33-14)19-12-26-20(29-21(19)28-18-6-8-23(24,25)9-7-18)16-5-3-4-15(10-16)17-11-27-32(2)13-17/h3-5,10-13,18H,6-9H2,1-2H3,(H,26,28,29)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM348007
PNG
(US9790221, Compound 215)
Show SMILES Cc1ccc(cn1)-c1cnc(nc1NC1CCN(CC1)S(C)(=O)=O)-c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C26H29N7O2S/c1-18-7-8-21(14-27-18)24-16-28-25(20-6-4-5-19(13-20)22-15-29-32(2)17-22)31-26(24)30-23-9-11-33(12-10-23)36(3,34)35/h4-8,13-17,23H,9-12H2,1-3H3,(H,28,30,31)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM348009
PNG
(US9790221, Compound 217)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCCOC2)n1
Show InChI InChI=1S/C24H27N7O/c1-30-14-20(11-27-30)18-6-3-7-19(9-18)23-26-13-22(21-12-28-31(2)15-21)24(29-23)25-10-17-5-4-8-32-16-17/h3,6-7,9,11-15,17H,4-5,8,10,16H2,1-2H3,(H,25,26,29)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM348010
PNG
(US9790221, Compound 218)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCC(O)C1
Show InChI InChI=1S/C22H23N7O/c1-27-12-17(9-24-27)15-4-3-5-16(8-15)21-23-11-20(18-10-25-28(2)13-18)22(26-21)29-7-6-19(30)14-29/h3-5,8-13,19,30H,6-7,14H2,1-2H3
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM348021
PNG
(US9790221, Compound 229)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCNCC2F)n1
Show InChI InChI=1S/C24H27FN8/c1-32-14-19(10-29-32)16-4-3-5-17(8-16)23-28-12-21(20-11-30-33(2)15-20)24(31-23)27-9-18-6-7-26-13-22(18)25/h3-5,8,10-12,14-15,18,22,26H,6-7,9,13H2,1-2H3,(H,27,28,31)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM348025
PNG
(US9790221, Compound 233)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@@H](CC2)N2CCOCC2)n1 |r,wU:27.33,wD:24.26,(1.86,5.84,;.37,6.23,;-.54,4.99,;-2,5.46,;-2,7,;-.54,7.48,;-3.33,4.69,;-4.67,5.46,;-6,4.69,;-6,3.15,;-4.67,2.38,;-3.33,3.15,;-4.67,.84,;-6,.07,;-6,-1.47,;-4.67,-2.24,;-4.67,-3.78,;-5.91,-4.68,;-5.44,-6.15,;-3.9,-6.15,;-3.13,-7.48,;-3.42,-4.68,;-3.33,-1.47,;-2,-2.24,;-.67,-1.47,;.67,-2.24,;2,-1.47,;2,.07,;.67,.84,;-.67,.07,;3.33,.84,;4.67,.07,;6,.84,;6,2.38,;4.67,3.15,;3.33,2.38,;-3.33,.07,)|
Show InChI InChI=1S/C28H34N8O/c1-34-18-22(15-30-34)20-4-3-5-21(14-20)27-29-17-26(23-16-31-35(2)19-23)28(33-27)32-24-6-8-25(9-7-24)36-10-12-37-13-11-36/h3-5,14-19,24-25H,6-13H2,1-2H3,(H,29,32,33)/t24-,25-
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM348029
PNG
(US9790221, Compound 237)
Show SMILES CC(=O)N1CCC(F)(CNc2nc(ncc2-c2cnn(C)c2)-c2cccc(c2)-c2cnn(C)c2)CC1
Show InChI InChI=1S/C26H29FN8O/c1-18(36)35-9-7-26(27,8-10-35)17-29-25-23(22-13-31-34(3)16-22)14-28-24(32-25)20-6-4-5-19(11-20)21-12-30-33(2)15-21/h4-6,11-16H,7-10,17H2,1-3H3,(H,28,29,32)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM348030
PNG
(US9790221, Compound 238)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCCC2O)n1
Show InChI InChI=1S/C23H25N7O/c1-29-13-17(10-25-29)15-5-3-6-16(9-15)22-24-12-19(18-11-26-30(2)14-18)23(28-22)27-20-7-4-8-21(20)31/h3,5-6,9-14,20-21,31H,4,7-8H2,1-2H3,(H,24,27,28)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%