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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))		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
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)

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
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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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)

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
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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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)

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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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)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM348045
PNG
(US9790221, Compound 253)
Show SMILES Cc1nnc(s1)-c1cnc(nc1NC1CCCN(CC1)S(C)(=O)=O)-c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C24H28N8O2S2/c1-16-29-30-24(35-16)21-14-25-22(18-7-4-6-17(12-18)19-13-26-31(2)15-19)28-23(21)27-20-8-5-10-32(11-9-20)36(3,33)34/h4,6-7,12-15,20H,5,8-11H2,1-3H3,(H,25,27,28)
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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)

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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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)

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
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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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)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(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
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
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)

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
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)

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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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)

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)

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)

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
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)

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
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)

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
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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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)

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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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)

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
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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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)

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
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)

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)

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
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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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)

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
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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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)

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)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(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)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(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
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)

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
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)

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
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)

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
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)

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)

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
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
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)

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
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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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)

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)

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)

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)

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
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)

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
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)

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
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)

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
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)

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)

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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n/an/a<100n/an/an/an/an/an/a



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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)

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
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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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)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(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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UniChem
US Patent
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)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))		BDBM347808
PNG
(US9790221, Compound 14)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCN(CC2)S(C)(=O)=O)n1
Show InChI InChI=1S/C24H28N8O2S/c1-30-15-19(12-26-30)17-5-4-6-18(11-17)23-25-14-22(20-13-27-31(2)16-20)24(29-23)28-21-7-9-32(10-8-21)35(3,33)34/h4-6,11-16,21H,7-10H2,1-3H3,(H,25,28,29)
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UniChem
US Patent
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)

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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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)

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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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)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347860
PNG
(US9790221, Compound 66)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC23CC(N)(C2)CC3)n1
Show InChI InChI=1S/C24H26N8/c1-31-12-18(9-27-31)16-4-3-5-17(8-16)21-26-11-20(19-10-28-32(2)13-19)22(29-21)30-24-7-6-23(25,14-24)15-24/h3-5,8-13H,6-7,14-15,25H2,1-2H3,(H,26,29,30)
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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)

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
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)

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


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)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347900
PNG
(US9790221, Compound 106)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2nnc(s2)C(=O)N2CC[C@@H](O)C2)c(NCC2CNC2)n1
Show InChI InChI=1S/C25H27N9O2S/c1-33-13-18(11-29-33)16-3-2-4-17(7-16)21-28-12-20(22(30-21)27-10-15-8-26-9-15)23-31-32-24(37-23)25(36)34-6-5-19(35)14-34/h2-4,7,11-13,15,19,26,35H,5-6,8-10,14H2,1H3,(H,27,28,30)/t19-/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)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347952
PNG
(US9790221, Compound 158)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCN(C2)S(C)(=O)=O)n1
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)
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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)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347959
PNG
(US9790221, Compound 165)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@H]2CC[C@H](O)C2)n1
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)

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