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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 4


(Homo sapiens (Human))		BDBM347979
PNG
(US9790221, Compound 185)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@H](N)C2)n1 |r|
Show InChI InChI=1S/C23H26N8/c1-30-13-17(10-26-30)15-4-3-5-16(8-15)22-25-12-21(18-11-27-31(2)14-18)23(29-22)28-20-7-6-19(24)9-20/h3-5,8,10-14,19-20H,6-7,9,24H2,1-2H3,(H,25,28,29)/t19-,20-/m0/s1
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Merck Patent GmbH

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))		BDBM348000
PNG
(US9790221, Compound 208)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCC[C@H](O)[C@@H]2O)n1 |r|
Show InChI InChI=1S/C24H27N7O2/c1-30-13-17(10-26-30)15-5-3-6-16(9-15)23-25-12-19(18-11-27-31(2)14-18)24(29-23)28-20-7-4-8-21(32)22(20)33/h3,5-6,9-14,20-22,32-33H,4,7-8H2,1-2H3,(H,25,28,29)/t20-,21-,22+/m0/s1
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Merck Patent GmbH

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))		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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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))		BDBM348013
PNG
(US9790221, Compound 221)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CC[C@H](O)CC2)n1 |r,wU:24.26,27.30,(3.19,5.84,;1.7,6.23,;.8,4.99,;-.67,5.46,;-.67,7,;.8,7.48,;-2,4.69,;-3.33,5.46,;-4.67,4.69,;-4.67,3.15,;-3.33,2.38,;-2,3.15,;-3.33,.84,;-4.67,.07,;-4.67,-1.47,;-3.33,-2.24,;-3.33,-3.78,;-4.58,-4.68,;-4.1,-6.15,;-2.56,-6.15,;-1.79,-7.48,;-2.09,-4.68,;-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,;-2,.07,)|
Show InChI InChI=1S/C24H27N7O/c1-30-14-18(11-26-30)16-4-3-5-17(10-16)23-25-13-22(19-12-27-31(2)15-19)24(29-23)28-20-6-8-21(32)9-7-20/h3-5,10-15,20-21,32H,6-9H2,1-2H3,(H,25,28,29)/t20-,21+
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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))		BDBM348024
PNG
(US9790221, Compound 232)
Show SMILES COC(=O)[C@@H]1CCC[C@@H](C1)Nc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C26H29N7O2/c1-32-15-20(12-28-32)17-6-4-7-18(10-17)24-27-14-23(21-13-29-33(2)16-21)25(31-24)30-22-9-5-8-19(11-22)26(34)35-3/h4,6-7,10,12-16,19,22H,5,8-9,11H2,1-3H3,(H,27,30,31)/t19-,22+/m1/s1
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Merck Patent GmbH

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))		BDBM348026
PNG
(US9790221, Compound 234)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCN(CC2F)S(C)(=O)=O)n1
Show InChI InChI=1S/C25H29FN8O2S/c1-32-14-20(11-29-32)17-5-4-6-18(9-17)24-28-13-22(21-12-30-33(2)15-21)25(31-24)27-10-19-7-8-34(16-23(19)26)37(3,35)36/h4-6,9,11-15,19,23H,7-8,10,16H2,1-3H3,(H,27,28,31)
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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))		BDBM348059
PNG
(US9790221, Compound 267)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCNS(C)(=O)=O)n1
Show InChI InChI=1S/C21H24N8O2S/c1-28-13-17(10-24-28)15-5-4-6-16(9-15)20-23-12-19(18-11-25-29(2)14-18)21(27-20)22-7-8-26-32(3,30)31/h4-6,9-14,26H,7-8H2,1-3H3,(H,22,23,27)
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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))		BDBM348072
PNG
(US9790221, Compound 280)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CC[C@H](F)[C@@H](O)C1 |r|
Show InChI InChI=1S/C23H24FN7O/c1-29-12-17(9-26-29)15-4-3-5-16(8-15)22-25-11-19(18-10-27-30(2)13-18)23(28-22)31-7-6-20(24)21(32)14-31/h3-5,8-13,20-21,32H,6-7,14H2,1-2H3/t20-,21-/m0/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))		BDBM348080
PNG
(US9790221, Compound 288)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCCC[C@@H](O)[C@H]2O)n1 |r|
Show InChI InChI=1S/C25H29N7O2/c1-31-14-18(11-27-31)16-6-5-7-17(10-16)24-26-13-20(19-12-28-32(2)15-19)25(30-24)29-21-8-3-4-9-22(33)23(21)34/h5-7,10-15,21-23,33-34H,3-4,8-9H2,1-2H3,(H,26,29,30)/t21-,22+,23-/m0/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))		BDBM347890
PNG
(US9790221, Compound 96)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCO)n1
Show InChI InChI=1S/C20H21N7O/c1-26-12-16(9-23-26)14-4-3-5-15(8-14)19-22-11-18(17-10-24-27(2)13-17)20(25-19)21-6-7-28/h3-5,8-13,28H,6-7H2,1-2H3,(H,21,22,25)
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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))		BDBM347891
PNG
(US9790221, Compound 97)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2ccn(C)n2)c(NCCCCO)n1
Show InChI InChI=1S/C22H25N7O/c1-28-10-8-20(27-28)19-14-24-21(26-22(19)23-9-3-4-11-30)17-7-5-6-16(12-17)18-13-25-29(2)15-18/h5-8,10,12-15,30H,3-4,9,11H2,1-2H3,(H,23,24,26)
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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))		BDBM347897
PNG
(US9790221, Compound 103)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCC(=O)NC2)n1
Show InChI InChI=1S/C23H24N8O/c1-30-13-17(9-26-30)15-4-3-5-16(8-15)22-25-12-20(18-10-27-31(2)14-18)23(29-22)28-19-6-7-21(32)24-11-19/h3-5,8-10,12-14,19H,6-7,11H2,1-2H3,(H,24,32)(H,25,28,29)
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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 4


(Homo sapiens (Human))		BDBM347902
PNG
(US9790221, Compound 108)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CC[C@H](N)C2)n1 |r|
Show InChI InChI=1S/C23H26N8/c1-30-13-17(10-26-30)15-4-3-5-16(8-15)22-25-12-21(18-11-27-31(2)14-18)23(29-22)28-20-7-6-19(24)9-20/h3-5,8,10-14,19-20H,6-7,9,24H2,1-2H3,(H,25,28,29)/t19-,20+/m0/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))		BDBM347922
PNG
(US9790221, Compound 128)
Show SMILES Cc1nnc(s1)-c1cnc(nc1NC1CCC(N)CC1)-c1cccc(c1)-c1cnn(C)c1 |(-5.09,-8.14,;-4.31,-6.81,;-2.77,-6.81,;-2.29,-5.35,;-3.53,-4.44,;-4.78,-5.34,;-3.53,-2.9,;-4.86,-2.13,;-4.86,-.59,;-3.52,.18,;-2.19,-.59,;-2.2,-2.13,;-.86,-2.91,;.62,-2.51,;1.71,-3.6,;3.2,-3.2,;3.6,-1.71,;5.09,-1.31,;2.51,-.62,;1.02,-1.02,;-3.52,1.72,;-4.85,2.49,;-4.85,4.03,;-3.51,4.8,;-2.18,4.03,;-2.18,2.49,;-.85,4.79,;.62,4.31,;1.53,5.56,;.62,6.8,;1.39,8.14,;-.84,6.33,)|
Show InChI InChI=1S/C23H26N8S/c1-14-29-30-23(32-14)20-12-25-21(28-22(20)27-19-8-6-18(24)7-9-19)16-5-3-4-15(10-16)17-11-26-31(2)13-17/h3-5,10-13,18-19H,6-9,24H2,1-2H3,(H,25,27,28)
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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 4


(Homo sapiens (Human))		BDBM347926
PNG
(US9790221, Compound 132)
Show SMILES Cn1ccc(n1)-c1cnc(nc1O[C@@H]1CCC[C@@H](N)[C@@H]1O)-c1cccc(c1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C24H27N7O2/c1-30-10-9-20(29-30)18-13-26-23(28-24(18)33-21-8-4-7-19(25)22(21)32)16-6-3-5-15(11-16)17-12-27-31(2)14-17/h3,5-6,9-14,19,21-22,32H,4,7-8,25H2,1-2H3/t19-,21-,22+/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))		BDBM347930
PNG
(US9790221, Compound 136)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCC(F)(F)CC2)n1
Show InChI InChI=1S/C25H27F2N7/c1-33-15-20(12-30-33)18-4-3-5-19(10-18)23-29-14-22(21-13-31-34(2)16-21)24(32-23)28-11-17-6-8-25(26,27)9-7-17/h3-5,10,12-17H,6-9,11H2,1-2H3,(H,28,29,32)
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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))		BDBM347946
PNG
(US9790221, Compound 152)
Show SMILES Cn1ccc(n1)-c1cnc(nc1NC1C2CCCC1CC(N)C2)-c1cccc(c1)-c1cnn(C)c1 |THB:21:20:13:15.17.16,12:13:15.17.16:19.22.20,(-1.52,-7.48,;-2.29,-6.15,;-3.83,-6.15,;-4.3,-4.68,;-3.06,-3.78,;-1.81,-4.68,;-3.06,-2.24,;-4.39,-1.47,;-4.39,.07,;-3.06,.84,;-1.72,.07,;-1.72,-1.47,;-.39,-2.24,;.94,-1.47,;1.34,.02,;2.88,.02,;4.2,.81,;3.8,-.67,;2.26,-.67,;2.26,.87,;3.06,2.19,;4.39,2.96,;1.33,1.79,;-3.06,2.38,;-4.39,3.15,;-4.39,4.69,;-3.06,5.46,;-1.72,4.69,;-1.72,3.15,;-.39,5.46,;-.39,7,;1.08,7.48,;1.98,6.23,;3.47,5.84,;1.08,4.99,)|
Show InChI InChI=1S/C27H32N8/c1-34-10-9-24(33-34)23-15-29-26(20-8-3-5-17(11-20)21-14-30-35(2)16-21)32-27(23)31-25-18-6-4-7-19(25)13-22(28)12-18/h3,5,8-11,14-16,18-19,22,25H,4,6-7,12-13,28H2,1-2H3,(H,29,31,32)
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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))		BDBM347965
PNG
(US9790221, Compound 171)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CCN(C2)S(C)(=O)=O)n1 |r|
Show InChI InChI=1S/C23H26N8O2S/c1-29-13-18(10-25-29)16-5-4-6-17(9-16)22-24-12-21(19-11-26-30(2)14-19)23(28-22)27-20-7-8-31(15-20)34(3,32)33/h4-6,9-14,20H,7-8,15H2,1-3H3,(H,24,27,28)/t20-/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))		BDBM347965
PNG
(US9790221, Compound 171)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CCN(C2)S(C)(=O)=O)n1 |r|
Show InChI InChI=1S/C23H26N8O2S/c1-29-13-18(10-25-29)16-5-4-6-17(9-16)22-24-12-21(19-11-26-30(2)14-19)23(28-22)27-20-7-8-31(15-20)34(3,32)33/h4-6,9-14,20H,7-8,15H2,1-3H3,(H,24,27,28)/t20-/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))		BDBM347974
PNG
(US9790221, Compound 180)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC(CO)(CO)C2)n1
Show InChI InChI=1S/C24H27N7O2/c1-30-12-18(9-26-30)16-4-3-5-17(6-16)22-25-11-21(19-10-27-31(2)13-19)23(29-22)28-20-7-24(8-20,14-32)15-33/h3-6,9-13,20,32-33H,7-8,14-15H2,1-2H3,(H,25,28,29)
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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 4


(Homo sapiens (Human))		BDBM347975
PNG
(US9790221, Compound 181)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CC(O)C2)n1 |(2.91,5.84,;1.43,6.23,;.52,4.99,;-.94,5.46,;-.94,7,;.52,7.48,;-2.28,4.69,;-3.61,5.46,;-4.94,4.69,;-4.94,3.15,;-3.61,2.38,;-2.28,3.15,;-3.61,.84,;-4.94,.07,;-4.94,-1.47,;-3.61,-2.24,;-3.61,-3.78,;-4.86,-4.68,;-4.38,-6.15,;-2.84,-6.15,;-2.07,-7.48,;-2.36,-4.68,;-2.28,-1.47,;-.94,-2.24,;.39,-1.47,;1.72,-2.24,;2.12,-3.72,;3.61,-3.33,;4.94,-4.1,;3.21,-1.84,;-2.28,.07,)|
Show InChI InChI=1S/C23H25N7O/c1-29-13-18(10-26-29)16-4-3-5-17(8-16)22-25-12-21(19-11-27-30(2)14-19)23(28-22)24-9-15-6-20(31)7-15/h3-5,8,10-15,20,31H,6-7,9H2,1-2H3,(H,24,25,28)
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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))		BDBM347976
PNG
(US9790221, Compound 182)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@@H](CC2)NS(C)(=O)=O)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,;3.9,-1.26,;5.44,-1.26,;-3.33,.07,)|
Show InChI InChI=1S/C25H30N8O2S/c1-32-15-19(12-27-32)17-5-4-6-18(11-17)24-26-14-23(20-13-28-33(2)16-20)25(30-24)29-21-7-9-22(10-8-21)31-36(3,34)35/h4-6,11-16,21-22,31H,7-10H2,1-3H3,(H,26,29,30)/t21-,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))		BDBM347977
PNG
(US9790221, Compound 183)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2C[C@H](C2)NS(C)(=O)=O)n1 |r,wU:24.26,26.31,(2.25,5.84,;.76,6.23,;-.15,4.99,;-1.61,5.46,;-1.61,7,;-.15,7.48,;-2.94,4.69,;-4.28,5.46,;-5.61,4.69,;-5.61,3.15,;-4.28,2.38,;-2.94,3.15,;-4.28,.84,;-5.61,.07,;-5.61,-1.47,;-4.28,-2.24,;-4.28,-3.78,;-5.52,-4.68,;-5.05,-6.15,;-3.51,-6.15,;-2.74,-7.48,;-3.03,-4.68,;-2.94,-1.47,;-1.61,-2.24,;-.28,-1.47,;.12,.02,;1.61,-.38,;1.21,-1.86,;2.94,.39,;4.28,-.38,;5.61,.39,;3.51,-1.71,;5.05,-1.71,;-2.94,.07,)|
Show InChI InChI=1S/C23H26N8O2S/c1-30-13-17(10-25-30)15-5-4-6-16(7-15)22-24-12-21(18-11-26-31(2)14-18)23(28-22)27-19-8-20(9-19)29-34(3,32)33/h4-7,10-14,19-20,29H,8-9H2,1-3H3,(H,24,27,28)/t19-,20+
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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))		BDBM347980
PNG
(US9790221, Compound 186)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC23CCC(N)(CC2)CC3)n1
Show InChI InChI=1S/C26H30N8/c1-33-16-20(13-29-33)18-4-3-5-19(12-18)23-28-15-22(21-14-30-34(2)17-21)24(31-23)32-26-9-6-25(27,7-10-26)8-11-26/h3-5,12-17H,6-11,27H2,1-2H3,(H,28,31,32)
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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))		BDBM347989
PNG
(US9790221, Compound 195)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2C[C@H](CNS(C)(=O)=O)C2)n1 |r,wD:24.26,26.29,(1.58,5.84,;.09,6.23,;-.81,4.99,;-2.28,5.46,;-2.28,7,;-.81,7.48,;-3.61,4.69,;-4.94,5.46,;-6.28,4.69,;-6.28,3.15,;-4.94,2.38,;-3.61,3.15,;-4.94,.84,;-6.28,.07,;-6.28,-1.47,;-4.94,-2.24,;-4.94,-3.78,;-6.19,-4.68,;-5.71,-6.15,;-4.17,-6.15,;-3.4,-7.48,;-3.7,-4.68,;-3.61,-1.47,;-2.28,-2.24,;-.94,-1.47,;-.54,.02,;.94,-.38,;2.28,.39,;3.61,-.38,;4.94,.39,;6.28,-.38,;4.17,1.73,;5.71,1.73,;.54,-1.86,;-3.61,.07,)|
Show InChI InChI=1S/C24H28N8O2S/c1-31-14-19(11-26-31)17-5-4-6-18(9-17)23-25-13-22(20-12-27-32(2)15-20)24(30-23)29-21-7-16(8-21)10-28-35(3,33)34/h4-6,9,11-16,21,28H,7-8,10H2,1-3H3,(H,25,29,30)/t16-,21+
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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))		BDBM347995
PNG
(US9790221, Compound 201)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCC(CNS(C)(=O)=O)CC2)n1 |(1.21,5.83,;-.28,6.23,;-1.19,4.98,;-2.65,5.46,;-2.65,7,;-1.18,7.48,;-3.99,4.7,;-5.32,5.47,;-6.65,4.7,;-6.66,3.16,;-5.33,2.39,;-3.99,3.16,;-5.33,.85,;-6.66,.08,;-6.67,-1.46,;-5.34,-2.23,;-5.34,-3.77,;-6.59,-4.67,;-6.12,-6.14,;-4.58,-6.14,;-3.81,-7.48,;-4.1,-4.68,;-4,-1.46,;-2.67,-2.24,;-1.33,-1.47,;-0,-2.25,;1.33,-1.47,;1.33,.07,;2.67,.84,;4,.07,;5.34,.84,;6.67,.06,;4.57,2.17,;6.11,2.17,;-0,.85,;-1.33,.07,;-4,.08,)|
Show InChI InChI=1S/C26H32N8O2S/c1-33-16-21(13-28-33)19-5-4-6-20(11-19)25-27-15-24(22-14-29-34(2)17-22)26(32-25)31-23-9-7-18(8-10-23)12-30-37(3,35)36/h4-6,11,13-18,23,30H,7-10,12H2,1-3H3,(H,27,31,32)
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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))		BDBM348001
PNG
(US9790221, Compound 209)
Show SMILES Cc1nnc(s1)-c1cnc(nc1NC1CCC(CC1)NS(=O)(=O)C1CC1)-c1cccc(c1)-c1cnn(C)c1 |(-6.88,-8.14,;-6.11,-6.81,;-4.57,-6.81,;-4.09,-5.35,;-5.33,-4.44,;-6.58,-5.34,;-5.33,-2.9,;-6.66,-2.13,;-6.66,-.59,;-5.32,.18,;-3.99,-.59,;-3.99,-2.13,;-2.66,-2.91,;-1.33,-2.14,;0,-2.92,;1.34,-2.14,;1.34,-.6,;0,.18,;-1.33,-.6,;2.68,.17,;4.01,-.6,;4.01,-2.14,;5.34,.17,;5.34,-1.37,;6.11,-2.71,;6.88,-1.37,;-5.32,1.72,;-6.65,2.49,;-6.65,4.03,;-5.31,4.8,;-3.98,4.03,;-3.98,2.49,;-2.64,4.79,;-1.18,4.31,;-.27,5.56,;-1.18,6.81,;-.41,8.14,;-2.64,6.33,)|
Show InChI InChI=1S/C26H30N8O2S2/c1-16-31-32-26(37-16)23-14-27-24(18-5-3-4-17(12-18)19-13-28-34(2)15-19)30-25(23)29-20-6-8-21(9-7-20)33-38(35,36)22-10-11-22/h3-5,12-15,20-22,33H,6-11H2,1-2H3,(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))		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
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))		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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Merck Patent GmbH

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))		BDBM348060
PNG
(US9790221, Compound 268)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCC[C@@H](O)[C@H]2O)n1 |r|
Show InChI InChI=1S/C24H27N7O2/c1-30-13-17(10-26-30)15-5-3-6-16(9-15)23-25-12-19(18-11-27-31(2)14-18)24(29-23)28-20-7-4-8-21(32)22(20)33/h3,5-6,9-14,20-22,32-33H,4,7-8H2,1-2H3,(H,25,28,29)/t20-,21+,22-/m0/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))		BDBM348061
PNG
(US9790221, Compound 269)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC23CC(N)(C2)C3)n1
Show InChI InChI=1S/C23H24N8/c1-30-10-17(7-26-30)15-4-3-5-16(6-15)20-25-9-19(18-8-27-31(2)11-18)21(28-20)29-23-12-22(24,13-23)14-23/h3-11H,12-14,24H2,1-2H3,(H,25,28,29)
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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 4


(Homo sapiens (Human))		BDBM348067
PNG
(US9790221, Compound 275)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC(O)C(F)(F)F)n1
Show InChI InChI=1S/C21H20F3N7O/c1-30-11-15(7-27-30)13-4-3-5-14(6-13)19-25-9-17(16-8-28-31(2)12-16)20(29-19)26-10-18(32)21(22,23)24/h3-9,11-12,18,32H,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 4


(Homo sapiens (Human))		BDBM348070
PNG
(US9790221, Compound 278)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCS(N)(=O)=O)n1
Show InChI InChI=1S/C20H22N8O2S/c1-27-12-16(9-24-27)14-4-3-5-15(8-14)19-23-11-18(17-10-25-28(2)13-17)20(26-19)22-6-7-31(21,29)30/h3-5,8-13H,6-7H2,1-2H3,(H2,21,29,30)(H,22,23,26)
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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))		BDBM348078
PNG
(US9790221, Compound 286)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CCC[C@@H](F)[C@@H]2O)n1 |r|
Show InChI InChI=1S/C24H26FN7O/c1-31-13-17(10-27-31)15-5-3-6-16(9-15)23-26-12-19(18-11-28-32(2)14-18)24(30-23)29-21-8-4-7-20(25)22(21)33/h3,5-6,9-14,20-22,33H,4,7-8H2,1-2H3,(H,26,29,30)/t20-,21-,22+/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))		BDBM348079
PNG
(US9790221, Compound 287)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CCCC(F)(F)[C@H]2O)n1 |r|
Show InChI InChI=1S/C24H25F2N7O/c1-32-13-17(10-28-32)15-5-3-6-16(9-15)22-27-12-19(18-11-29-33(2)14-18)23(31-22)30-20-7-4-8-24(25,26)21(20)34/h3,5-6,9-14,20-21,34H,4,7-8H2,1-2H3,(H,27,30,31)/t20-,21+/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))		BDBM347958
PNG
(US9790221, Compound 164)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@H]2CC[C@@H](O)C2)n1 |r|
Show InChI InChI=1S/C24H27N7O/c1-30-14-19(11-27-30)17-4-3-5-18(9-17)23-26-13-22(20-12-28-31(2)15-20)24(29-23)25-10-16-6-7-21(32)8-16/h3-5,9,11-16,21,32H,6-8,10H2,1-2H3,(H,25,26,29)/t16-,21+/m0/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))		BDBM347960
PNG
(US9790221, Compound 166)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCOC2)n1
Show InChI InChI=1S/C23H25N7O/c1-29-13-19(10-26-29)17-4-3-5-18(8-17)22-25-12-21(20-11-27-30(2)14-20)23(28-22)24-9-16-6-7-31-15-16/h3-5,8,10-14,16H,6-7,9,15H2,1-2H3,(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))		BDBM347981
PNG
(US9790221, Compound 187)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC23CCC(CC2)(CC3)NS(C)(=O)=O)n1
Show InChI InChI=1S/C27H32N8O2S/c1-34-17-21(14-29-34)19-5-4-6-20(13-19)24-28-16-23(22-15-30-35(2)18-22)25(31-24)32-26-7-10-27(11-8-26,12-9-26)33-38(3,36)37/h4-6,13-18,33H,7-12H2,1-3H3,(H,28,31,32)
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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))		BDBM347982
PNG
(US9790221, Compound 188)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC(CN)C2)n1 |(2.91,5.84,;1.43,6.23,;.52,4.99,;-.94,5.46,;-.94,7,;.52,7.48,;-2.28,4.69,;-3.61,5.46,;-4.94,4.69,;-4.94,3.15,;-3.61,2.38,;-2.28,3.15,;-3.61,.84,;-4.94,.07,;-4.94,-1.47,;-3.61,-2.24,;-3.61,-3.78,;-4.86,-4.68,;-4.38,-6.15,;-2.84,-6.15,;-2.07,-7.48,;-2.36,-4.68,;-2.28,-1.47,;-.94,-2.24,;.39,-1.47,;1.88,-1.86,;2.28,-.38,;3.61,.39,;4.94,-.38,;.79,.02,;-2.28,.07,)|
Show InChI InChI=1S/C23H26N8/c1-30-13-18(10-26-30)16-4-3-5-17(8-16)22-25-12-21(19-11-27-31(2)14-19)23(29-22)28-20-6-15(7-20)9-24/h3-5,8,10-15,20H,6-7,9,24H2,1-2H3,(H,25,28,29)
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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))		BDBM347989
PNG
(US9790221, Compound 195)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2C[C@H](CNS(C)(=O)=O)C2)n1 |r,wD:24.26,26.29,(1.58,5.84,;.09,6.23,;-.81,4.99,;-2.28,5.46,;-2.28,7,;-.81,7.48,;-3.61,4.69,;-4.94,5.46,;-6.28,4.69,;-6.28,3.15,;-4.94,2.38,;-3.61,3.15,;-4.94,.84,;-6.28,.07,;-6.28,-1.47,;-4.94,-2.24,;-4.94,-3.78,;-6.19,-4.68,;-5.71,-6.15,;-4.17,-6.15,;-3.4,-7.48,;-3.7,-4.68,;-3.61,-1.47,;-2.28,-2.24,;-.94,-1.47,;-.54,.02,;.94,-.38,;2.28,.39,;3.61,-.38,;4.94,.39,;6.28,-.38,;4.17,1.73,;5.71,1.73,;.54,-1.86,;-3.61,.07,)|
Show InChI InChI=1S/C24H28N8O2S/c1-31-14-19(11-26-31)17-5-4-6-18(9-17)23-25-13-22(20-12-27-32(2)15-20)24(30-23)29-21-7-16(8-21)10-28-35(3,33)34/h4-6,9,11-16,21,28H,7-8,10H2,1-3H3,(H,25,29,30)/t16-,21+
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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))		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
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))		BDBM348008
PNG
(US9790221, Compound 216)
Show SMILES Cc1nnc(s1)-c1cnc(nc1NCC(O)C(F)(F)F)-c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C20H18F3N7OS/c1-11-28-29-19(32-11)15-8-24-17(27-18(15)25-9-16(31)20(21,22)23)13-5-3-4-12(6-13)14-7-26-30(2)10-14/h3-8,10,16,31H,9H2,1-2H3,(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))		BDBM348037
PNG
(US9790221, Compound 245)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC23CC(CNS(C)(=O)=O)(C2)C3)n1
Show InChI InChI=1S/C25H28N8O2S/c1-32-11-19(8-27-32)17-5-4-6-18(7-17)22-26-10-21(20-9-28-33(2)12-20)23(30-22)31-25-13-24(14-25,15-25)16-29-36(3,34)35/h4-12,29H,13-16H2,1-3H3,(H,26,30,31)
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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 1 [194-712]


(Homo sapiens (Human))		BDBM348062
PNG
(US9790221, Compound 270)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC23CC(C2)(C3)NS(C)(=O)=O)n1
Show InChI InChI=1S/C24H26N8O2S/c1-31-11-18(8-26-31)16-5-4-6-17(7-16)21-25-10-20(19-9-27-32(2)12-19)22(28-21)29-23-13-24(14-23,15-23)30-35(3,33)34/h4-12,30H,13-15H2,1-3H3,(H,25,28,29)
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n/an/a<100n/an/an/an/an/an/a



Merck Patent GmbH

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))		BDBM347928
PNG
(US9790221, Compound 134)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(O[C@@H]2CCC[C@@H](N)[C@@H]2O)n1 |r|
Show InChI InChI=1S/C24H27N7O2/c1-30-13-17(10-27-30)15-5-3-6-16(9-15)23-26-12-19(18-11-28-31(2)14-18)24(29-23)33-21-8-4-7-20(25)22(21)32/h3,5-6,9-14,20-22,32H,4,7-8,25H2,1-2H3/t20-,21-,22+/m1/s1
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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Merck Patent GmbH

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))		BDBM348065
PNG
(US9790221, Compound 273)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@H](O)[C@@H]2O)n1 |r|
Show InChI InChI=1S/C23H25N7O2/c1-29-12-16(9-25-29)14-4-3-5-15(8-14)22-24-11-18(17-10-26-30(2)13-17)23(28-22)27-19-6-7-20(31)21(19)32/h3-5,8-13,19-21,31-32H,6-7H2,1-2H3,(H,24,27,28)/t19-,20-,21+/m0/s1
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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Merck Patent GmbH

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))		BDBM347812
PNG
(US9790221, Compound 18)
Show SMILES COC(=O)c1nnc(s1)-c1cnc(nc1NC1CCCNC1)-c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C23H24N8O2S/c1-31-13-16(10-26-31)14-5-3-6-15(9-14)19-25-12-18(21-29-30-22(34-21)23(32)33-2)20(28-19)27-17-7-4-8-24-11-17/h3,5-6,9-10,12-13,17,24H,4,7-8,11H2,1-2H3,(H,25,27,28)
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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Merck Patent GmbH

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))		BDBM347847
PNG
(US9790221, Compound 53)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2(CO)CCC2)n1
Show InChI InChI=1S/C24H27N7O/c1-30-13-19(10-27-30)17-5-3-6-18(9-17)22-25-12-21(20-11-28-31(2)14-20)23(29-22)26-15-24(16-32)7-4-8-24/h3,5-6,9-14,32H,4,7-8,15-16H2,1-2H3,(H,25,26,29)
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n/an/a<100n/an/an/an/an/an/a



Merck Patent GmbH

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))		BDBM347889
PNG
(US9790221, Compound 95)
Show SMILES Cn1ccc(n1)-c1cnc(nc1N[C@H]1CCC[C@@H]1O)-c1cccc(c1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C23H25N7O/c1-29-10-9-19(28-29)18-13-24-22(27-23(18)26-20-7-4-8-21(20)31)16-6-3-5-15(11-16)17-12-25-30(2)14-17/h3,5-6,9-14,20-21,31H,4,7-8H2,1-2H3,(H,24,26,27)/t20-,21-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Merck Patent GmbH

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))		BDBM347895
PNG
(US9790221, Compound 101)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCCO)n1
Show InChI InChI=1S/C22H25N7O/c1-28-14-18(11-25-28)16-6-5-7-17(10-16)21-24-13-20(19-12-26-29(2)15-19)22(27-21)23-8-3-4-9-30/h5-7,10-15,30H,3-4,8-9H2,1-2H3,(H,23,24,27)
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US Patent
n/an/a<100n/an/an/an/an/an/a



Merck Patent GmbH

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
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* indicates data uncertainty>20%