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Compile Data Set for Download or QSAR

Found 228 hits Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 1'   
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


(Homo sapiens (Human))
BDBM271363
PNG
(US10064861, Compound 18)
Show SMILES OC1CCOc2ccc(=O)n(Cc3cccc(c3)C(=O)Nc3nc4ccccc4n3C1)n2
Show InChI InChI=1S/C23H21N5O4/c29-17-10-11-32-20-8-9-21(30)28(26-20)13-15-4-3-5-16(12-15)22(31)25-23-24-18-6-1-2-7-19(18)27(23)14-17/h1-9,12,17,29H,10-11,13-14H2,(H,24,25,31)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271384
PNG
(US10064861, Compound 37)
Show SMILES COc1ccc-2cc1CCn1c(NC(=O)c3cccc(Cn4nc-2ccc4=O)c3)nc2ccccc12
Show InChI InChI=1S/C28H23N5O3/c1-36-25-11-9-19-16-20(25)13-14-32-24-8-3-2-7-23(24)29-28(32)30-27(35)21-6-4-5-18(15-21)17-33-26(34)12-10-22(19)31-33/h2-12,15-16H,13-14,17H2,1H3,(H,29,30,35)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271383
PNG
(US10064861, Compound 36b)
Show SMILES CC[C@@H]1c2cccc(c2)C(=O)Nc2nc3ccccc3n2Cc2cccc(c2)-c2ccc(=O)n1n2
Show InChI InChI=1S/C28H23N5O2/c1-2-24-20-9-6-10-21(16-20)27(35)30-28-29-23-11-3-4-12-25(23)32(28)17-18-7-5-8-19(15-18)22-13-14-26(34)33(24)31-22/h3-16,24H,2,17H2,1H3,(H,29,30,35)/t24-/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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271382
PNG
(US10064861, Compound 36a)
Show SMILES CC[C@H]1c2cccc(c2)C(=O)Nc2nc3ccccc3n2Cc2cccc(c2)-c2ccc(=O)n1n2
Show InChI InChI=1S/C28H23N5O2/c1-2-24-20-9-6-10-21(16-20)27(35)30-28-29-23-11-3-4-12-25(23)32(28)17-18-7-5-8-19(15-18)22-13-14-26(34)33(24)31-22/h3-16,24H,2,17H2,1H3,(H,29,30,35)/t24-/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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271345
PNG
(US10064861, Compound 1)
Show SMILES O=C1Nc2nc3ccccc3n2Cc2cccc(c2)-c2ccc(=O)n(Cc3cccc1c3)n2
Show InChI InChI=1S/C26H19N5O2/c32-24-12-11-21-19-7-3-5-17(13-19)15-30-23-10-2-1-9-22(23)27-26(30)28-25(33)20-8-4-6-18(14-20)16-31(24)29-21/h1-14H,15-16H2,(H,27,28,33)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271346
PNG
(US10064861, Compound 2)
Show SMILES O=C1Nc2nc3ccccc3n2CCc2cccc(c2)-c2ccc(=O)n(Cc3cccc1c3)n2
Show InChI InChI=1S/C27H21N5O2/c33-25-12-11-22-20-7-3-5-18(15-20)13-14-31-24-10-2-1-9-23(24)28-27(31)29-26(34)21-8-4-6-19(16-21)17-32(25)30-22/h1-12,15-16H,13-14,17H2,(H,28,29,34)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271347
PNG
(US10064861, Compound 3a)
Show SMILES CN(C)C(=O)Cc1ccc2n3Cc4cccc(c4)-c4ccc(=O)n(Cc5cccc(c5)C(=O)Nc3nc2c1)n4
Show InChI InChI=1S/C30H26N6O3/c1-34(2)28(38)16-19-9-11-26-25(15-19)31-30-32-29(39)23-8-4-6-21(14-23)18-36-27(37)12-10-24(33-36)22-7-3-5-20(13-22)17-35(26)30/h3-15H,16-18H2,1-2H3,(H,31,32,39)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271348
PNG
(US10064861, Compound 4)
Show SMILES Cc1cc(=O)n2Cc3cccc(c3)C(=O)Nc3nc4ccccc4n3Cc3cccc(c3)-c1n2
Show InChI InChI=1S/C27H21N5O2/c1-17-12-24(33)32-16-19-7-5-9-21(14-19)26(34)29-27-28-22-10-2-3-11-23(22)31(27)15-18-6-4-8-20(13-18)25(17)30-32/h2-14H,15-16H2,1H3,(H,28,29,34)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271349
PNG
(US10064861, Compound 3b)
Show SMILES CN(C)C(=O)Cc1ccc2nc3NC(=O)c4cccc(Cn5nc(ccc5=O)-c5cccc(Cn3c2c1)c5)c4
Show InChI InChI=1S/C30H26N6O3/c1-34(2)28(38)16-19-9-10-25-26(15-19)35-17-20-5-3-7-22(13-20)24-11-12-27(37)36(33-24)18-21-6-4-8-23(14-21)29(39)32-30(35)31-25/h3-15H,16-18H2,1-2H3,(H,31,32,39)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271350
PNG
(US10064861, Compound 5)
Show SMILES COc1cc2nc3NC(=O)c4cccc(Cn5nc(ccc5=O)-c5cccc(Cn3c2cc1OC)c5)c4
Show InChI InChI=1S/C28H23N5O4/c1-36-24-13-22-23(14-25(24)37-2)32-15-17-5-3-7-19(11-17)21-9-10-26(34)33(31-21)16-18-6-4-8-20(12-18)27(35)30-28(32)29-22/h3-14H,15-16H2,1-2H3,(H,29,30,35)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271351
PNG
(US10064861, Compound 6)
Show SMILES Fc1cc2nc3NC(=O)c4cccc(Cn5nc(ccc5=O)-c5cccc(Cn3c2cc1F)c5)c4
Show InChI InChI=1S/C26H17F2N5O2/c27-19-11-22-23(12-20(19)28)32-13-15-3-1-5-17(9-15)21-7-8-24(34)33(31-21)14-16-4-2-6-18(10-16)25(35)30-26(32)29-22/h1-12H,13-14H2,(H,29,30,35)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271353
PNG
(US10064861, Compound 8)
Show SMILES Cc1ccc2Cn3c(NC(=O)c4cccc(Cn5nc(ccc5=O)-c1c2)c4)nc1ccccc31
Show InChI InChI=1S/C27H21N5O2/c1-17-9-10-19-14-21(17)22-11-12-25(33)32(30-22)16-18-5-4-6-20(13-18)26(34)29-27-28-23-7-2-3-8-24(23)31(27)15-19/h2-14H,15-16H2,1H3,(H,28,29,34)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271354
PNG
(US10064861, Compound 9)
Show SMILES O=C1Nc2nc3ccccc3n2CCOc2cccc(c2)-c2ccc(=O)n(Cc3cccc1c3)n2
Show InChI InChI=1S/C27H21N5O3/c33-25-12-11-22-19-6-4-8-21(16-19)35-14-13-31-24-10-2-1-9-23(24)28-27(31)29-26(34)20-7-3-5-18(15-20)17-32(25)30-22/h1-12,15-16H,13-14,17H2,(H,28,29,34)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271355
PNG
(US10064861, Compound 10)
Show SMILES Fc1ccc2Cn3c(NC(=O)c4cccc(Cn5nc(ccc5=O)-c1c2)c4)nc1ccccc31
Show InChI InChI=1S/C26H18FN5O2/c27-20-9-8-17-13-19(20)21-10-11-24(33)32(30-21)15-16-4-3-5-18(12-16)25(34)29-26-28-22-6-1-2-7-23(22)31(26)14-17/h1-13H,14-15H2,(H,28,29,34)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271356
PNG
(US10064861, Compound 11)
Show SMILES Cc1cc(=O)n2Cc3cccc(c3)C(=O)Nc3nc4ccccc4n3CCc3cccc(c3)-c1n2
Show InChI InChI=1S/C28H23N5O2/c1-18-14-25(34)33-17-20-7-5-9-22(16-20)27(35)30-28-29-23-10-2-3-11-24(23)32(28)13-12-19-6-4-8-21(15-19)26(18)31-33/h2-11,14-16H,12-13,17H2,1H3,(H,29,30,35)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271357
PNG
(US10064861, Compound 12)
Show SMILES Oc1ccc2Cn3c(NC(=O)c4cccc(Cn5nc(ccc5=O)-c1c2)c4)nc1ccccc31
Show InChI InChI=1S/C26H19N5O3/c32-23-10-8-17-13-19(23)20-9-11-24(33)31(29-20)15-16-4-3-5-18(12-16)25(34)28-26-27-21-6-1-2-7-22(21)30(26)14-17/h1-13,32H,14-15H2,(H,27,28,34)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271358
PNG
(US10064861, Compound 13)
Show SMILES Clc1ccc2Cn3c(NC(=O)c4cccc(Cn5nc(ccc5=O)-c1c2)c4)nc1ccccc31
Show InChI InChI=1S/C26H18ClN5O2/c27-20-9-8-17-13-19(20)21-10-11-24(33)32(30-21)15-16-4-3-5-18(12-16)25(34)29-26-28-22-6-1-2-7-23(22)31(26)14-17/h1-13H,14-15H2,(H,28,29,34)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM50040732
PNG
(CHEMBL3353216 | US10064861, Compound 14)
Show SMILES O=C1Nc2nc3ccccc3n2CCn2cc(cn2)-c2ccc(=O)n(Cc3cccc1c3)n2
Show InChI InChI=1S/C24H19N7O2/c32-22-9-8-19-18-13-25-29(15-18)10-11-30-21-7-2-1-6-20(21)26-24(30)27-23(33)17-5-3-4-16(12-17)14-31(22)28-19/h1-9,12-13,15H,10-11,14H2,(H,26,27,33)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271360
PNG
(US10064861, Compound 15)
Show SMILES COc1ccc2Cn3c(NC(=O)c4cccc(Cn5nc(ccc5=O)-c1c2)c4)nc1ccccc31
Show InChI InChI=1S/C27H21N5O3/c1-35-24-11-9-18-14-20(24)21-10-12-25(33)32(30-21)16-17-5-4-6-19(13-17)26(34)29-27-28-22-7-2-3-8-23(22)31(27)15-18/h2-14H,15-16H2,1H3,(H,28,29,34)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271361
PNG
(US10064861, Compound 16)
Show SMILES O=C1Nc2nc3ccccc3n2Cc2cc(ccn2)-c2ccc(=O)n(Cc3cccc1c3)n2
Show InChI InChI=1S/C25H18N6O2/c32-23-9-8-20-17-10-11-26-19(13-17)15-30-22-7-2-1-6-21(22)27-25(30)28-24(33)18-5-3-4-16(12-18)14-31(23)29-20/h1-13H,14-15H2,(H,27,28,33)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271362
PNG
(US10064861, Compound 17)
Show SMILES OC1Cn2c(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccc1c4)c3)nc1ccccc21
Show InChI InChI=1S/C27H21N5O3/c33-24-16-31-23-10-2-1-9-22(23)28-27(31)29-26(35)20-8-3-5-17(13-20)15-32-25(34)12-11-21(30-32)18-6-4-7-19(24)14-18/h1-14,24,33H,15-16H2,(H,28,29,35)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271385
PNG
(US10064861, Compound 38)
Show SMILES Oc1ccc-2cc1CCn1c(NC(=O)c3cccc(Cn4nc-2ccc4=O)c3)nc2ccccc12
Show InChI InChI=1S/C27H21N5O3/c33-24-10-8-18-15-19(24)12-13-31-23-7-2-1-6-22(23)28-27(31)29-26(35)20-5-3-4-17(14-20)16-32-25(34)11-9-21(18)30-32/h1-11,14-15,33H,12-13,16H2,(H,28,29,35)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271364
PNG
(US10064861, Compound 19)
Show SMILES COc1ccc-2cc1Cn1c(NC(=O)c3cccc(Cn4nc-2ccc4=O)c3)nc2ccccc12
Show InChI InChI=1S/C27H21N5O3/c1-35-24-11-9-18-14-20(24)16-31-23-8-3-2-7-22(23)28-27(31)29-26(34)19-6-4-5-17(13-19)15-32-25(33)12-10-21(18)30-32/h2-14H,15-16H2,1H3,(H,28,29,34)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM50040733
PNG
(CHEMBL3353215 | US10064861, Compound 20)
Show SMILES Oc1ccc-2cc1Cn1c(NC(=O)c3cccc(Cn4nc-2ccc4=O)c3)nc2ccccc12
Show InChI InChI=1S/C26H19N5O3/c32-23-10-8-17-13-19(23)15-30-22-7-2-1-6-21(22)27-26(30)28-25(34)18-5-3-4-16(12-18)14-31-24(33)11-9-20(17)29-31/h1-13,32H,14-15H2,(H,27,28,34)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271366
PNG
(US10064861, Compound 21)
Show SMILES OC(=O)c1ccc2n3Cc4cccc(c4)-c4ccc(=O)n(Cc5cccc(c5)C(=O)Nc3nc2c1)n4
Show InChI InChI=1S/C27H19N5O4/c33-24-10-8-21-18-5-1-3-16(11-18)14-31-23-9-7-20(26(35)36)13-22(23)28-27(31)29-25(34)19-6-2-4-17(12-19)15-32(24)30-21/h1-13H,14-15H2,(H,35,36)(H,28,29,34)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271367
PNG
(US10064861, Compound 22)
Show SMILES COc1cc2nc3NC(=O)c4cccc(Cn5nc(ccc5=O)-c5cnn(CCn3c2cc1OC)c5)c4
Show InChI InChI=1S/C26H23N7O4/c1-36-22-11-20-21(12-23(22)37-2)32-9-8-31-15-18(13-27-31)19-6-7-24(34)33(30-19)14-16-4-3-5-17(10-16)25(35)29-26(32)28-20/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,28,29,35)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271368
PNG
(US10064861, Compound 23)
Show SMILES NCCc1ccc2n3Cc4cccc(c4)-c4ccc(=O)n(Cc5cccc(c5)C(=O)Nc3nc2c1)n4
Show InChI InChI=1S/C28H24N6O2/c29-12-11-18-7-9-25-24(15-18)30-28-31-27(36)22-6-2-4-20(14-22)17-34-26(35)10-8-23(32-34)21-5-1-3-19(13-21)16-33(25)28/h1-10,13-15H,11-12,16-17,29H2,(H,30,31,36)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271369
PNG
(US10064861, Compound 24)
Show SMILES CC1c2cccc(c2)C(=O)Nc2nc3ccccc3n2Cc2cccc(c2)-c2ccc(=O)n1n2
Show InChI InChI=1S/C27H21N5O2/c1-17-19-7-5-9-21(15-19)26(34)29-27-28-23-10-2-3-11-24(23)31(27)16-18-6-4-8-20(14-18)22-12-13-25(33)32(17)30-22/h2-15,17H,16H2,1H3,(H,28,29,34)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271370
PNG
(US10064861, Compound 25)
Show SMILES CC(=O)NCCc1ccc2n3Cc4cccc(c4)-c4ccc(=O)n(Cc5cccc(c5)C(=O)Nc3nc2c1)n4
Show InChI InChI=1S/C30H26N6O3/c1-19(37)31-13-12-20-8-10-27-26(16-20)32-30-33-29(39)24-7-3-5-22(15-24)18-36-28(38)11-9-25(34-36)23-6-2-4-21(14-23)17-35(27)30/h2-11,14-16H,12-13,17-18H2,1H3,(H,31,37)(H,32,33,39)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271371
PNG
(US10064861, Compound 26)
Show SMILES Cc1cc(=O)n2Cc3cccc(c3)C(=O)Nc3nc4ccccc4n3CCn3cc(cn3)-c1n2
Show InChI InChI=1S/C25H21N7O2/c1-16-11-22(33)32-14-17-5-4-6-18(12-17)24(34)28-25-27-20-7-2-3-8-21(20)31(25)10-9-30-15-19(13-26-30)23(16)29-32/h2-8,11-13,15H,9-10,14H2,1H3,(H,27,28,34)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271372
PNG
(US10064861, Compound 27)
Show SMILES O=C1Nc2nc3cc(CN4CCOCC4)ccc3n2Cc2cccc(c2)-c2ccc(=O)n(Cc3cccc1c3)n2
Show InChI InChI=1S/C31H28N6O3/c38-29-10-8-26-24-5-1-3-21(15-24)19-36-28-9-7-23(18-35-11-13-40-14-12-35)17-27(28)32-31(36)33-30(39)25-6-2-4-22(16-25)20-37(29)34-26/h1-10,15-17H,11-14,18-20H2,(H,32,33,39)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271373
PNG
(US10064861, Compound 28)
Show SMILES Cc1nn2CCn3c(NC(=O)c4cccc(Cn5nc(ccc5=O)-c1c2C)c4)nc1ccccc31
Show InChI InChI=1S/C26H23N7O2/c1-16-24-17(2)32(29-16)13-12-31-22-9-4-3-8-20(22)27-26(31)28-25(35)19-7-5-6-18(14-19)15-33-23(34)11-10-21(24)30-33/h3-11,14H,12-13,15H2,1-2H3,(H,27,28,35)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271374
PNG
(US10064861, Compound 29)
Show SMILES COc1ccc2n3Cc4cccc(c4)-c4ccc(=O)n(Cc5cccc(c5)C(=O)Nc3nc2c1)n4
Show InChI InChI=1S/C27H21N5O3/c1-35-21-8-10-24-23(14-21)28-27-29-26(34)20-7-3-5-18(13-20)16-32-25(33)11-9-22(30-32)19-6-2-4-17(12-19)15-31(24)27/h2-14H,15-16H2,1H3,(H,28,29,34)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271375
PNG
(US10064861, Compound 30)
Show SMILES Cc1cc(=O)n2Cc3cccc(c3)C(=O)Nc3nc4ccccc4n3CC(O)CCOc1n2
Show InChI InChI=1S/C24H23N5O4/c1-15-11-21(31)29-13-16-5-4-6-17(12-16)22(32)26-24-25-19-7-2-3-8-20(19)28(24)14-18(30)9-10-33-23(15)27-29/h2-8,11-12,18,30H,9-10,13-14H2,1H3,(H,25,26,32)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271376
PNG
(US10064861, Compound 31)
Show SMILES Oc1ccc2n3Cc4cccc(c4)-c4ccc(=O)n(Cc5cccc(c5)C(=O)Nc3nc2c1)n4
Show InChI InChI=1S/C26H19N5O3/c32-20-7-9-23-22(13-20)27-26-28-25(34)19-6-2-4-17(12-19)15-31-24(33)10-8-21(29-31)18-5-1-3-16(11-18)14-30(23)26/h1-13,32H,14-15H2,(H,27,28,34)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271377
PNG
(US10064861, Compound 32a)
Show SMILES O[C@H]1Cn2c(NC(=O)c3cccc(Cn4nc(ccc4=O)N4CCC[C@@H]1C4)c3)nc1ccccc21
Show InChI InChI=1S/C26H26N6O3/c33-22-16-31-21-9-2-1-8-20(21)27-26(31)28-25(35)18-6-3-5-17(13-18)14-32-24(34)11-10-23(29-32)30-12-4-7-19(22)15-30/h1-3,5-6,8-11,13,19,22,33H,4,7,12,14-16H2,(H,27,28,35)/t19-,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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271378
PNG
(US10064861, Compound 32b)
Show SMILES O[C@H]1Cn2c(NC(=O)c3cccc(Cn4nc(ccc4=O)N4CCC[C@H]1C4)c3)nc1ccccc21
Show InChI InChI=1S/C26H26N6O3/c33-22-16-31-21-9-2-1-8-20(21)27-26(31)28-25(35)18-6-3-5-17(13-18)14-32-24(34)11-10-23(29-32)30-12-4-7-19(22)15-30/h1-3,5-6,8-11,13,19,22,33H,4,7,12,14-16H2,(H,27,28,35)/t19-,22-/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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271379
PNG
(US10064861, Compound 33)
Show SMILES COc1ccc2n3CCn4cc(cn4)-c4ccc(=O)n(Cc5cccc(c5)C(=O)Nc3nc2c1)n4
Show InChI InChI=1S/C25H21N7O3/c1-35-19-5-7-22-21(12-19)27-25-28-24(34)17-4-2-3-16(11-17)14-32-23(33)8-6-20(29-32)18-13-26-30(15-18)9-10-31(22)25/h2-8,11-13,15H,9-10,14H2,1H3,(H,27,28,34)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271380
PNG
(US10064861, Compound 34)
Show SMILES O=C1Nc2nc3ccccc3n2C\C=C/COc2ccc(=O)n(Cc3cccc1c3)n2
Show InChI InChI=1S/C23H19N5O3/c29-21-11-10-20-26-28(21)15-16-6-5-7-17(14-16)22(30)25-23-24-18-8-1-2-9-19(18)27(23)12-3-4-13-31-20/h1-11,14H,12-13,15H2,(H,24,25,30)/b4-3-
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM271381
PNG
(US10064861, Compound 35)
Show SMILES COc1ccc2n3CC(O)CCOc4ccc(=O)n(Cc5cccc(c5)C(=O)Nc3nc2c1)n4
Show InChI InChI=1S/C24H23N5O5/c1-33-18-5-6-20-19(12-18)25-24-26-23(32)16-4-2-3-15(11-16)13-29-22(31)8-7-21(27-29)34-10-9-17(30)14-28(20)24/h2-8,11-12,17,30H,9-10,13-14H2,1H3,(H,25,26,32)
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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 IRA...


US Patent US10064861 (2018)

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


(Homo sapiens (Human))
BDBM164884
PNG
(US9067888, 34)
Show SMILES COc1cc(F)ccc1-c1ccnc(NC(=O)C2CCC(C2)NC(C)=O)c1
Show InChI InChI=1S/C20H22FN3O3/c1-12(25)23-16-5-3-14(9-16)20(26)24-19-10-13(7-8-22-19)17-6-4-15(21)11-18(17)27-2/h4,6-8,10-11,14,16H,3,5,9H2,1-2H3,(H,23,25)(H,22,24,26)
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Assay Description
In vitro kinase assay analysis may be performed using standard techniques described in the art. These techniques are also used by commercial services...


US Patent US9067888 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S4T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM164883
PNG
(US9067888, 33)
Show SMILES COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1
Show InChI InChI=1S/C21H24FN3O3/c1-13(26)24-17-5-3-4-15(10-17)21(27)25-20-11-14(8-9-23-20)18-7-6-16(22)12-19(18)28-2/h6-9,11-12,15,17H,3-5,10H2,1-2H3,(H,24,26)(H,23,25,27)/t15-,17+/m0/s1
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n/an/a>5.00E+3n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
In vitro kinase assay analysis may be performed using standard techniques described in the art. These techniques are also used by commercial services...


US Patent US9067888 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S4T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50224883
PNG
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)
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3.01E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK1


Bioorg Med Chem Lett 17: 6593-601 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.063
BindingDB Entry DOI: 10.7270/Q2X067WT
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50331612
PNG
(CHEMBL1290072 | N-(4-methoxybenzyl)benzofuro[2,3-b...)
Show SMILES COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
Show InChI InChI=1S/C19H16N2O2/c1-22-14-8-6-13(7-9-14)12-21-16-10-11-20-19-18(16)15-4-2-3-5-17(15)23-19/h2-11H,12H2,1H3,(H,20,21)
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of human IRAK1


Bioorg Med Chem Lett 20: 6915-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.004
BindingDB Entry DOI: 10.7270/Q2GF0TQS
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50040728
PNG
(CHEMBL3353219 | US9255110, 1)
Show SMILES NCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cc(O)cnc12
Show InChI InChI=1S/C19H21ClN6O2/c20-13-1-2-17(25-5-3-12(8-21)4-6-25)16(7-13)24-19(28)15-10-23-26-11-14(27)9-22-18(15)26/h1-2,7,9-12,27H,3-6,8,21H2,(H,24,28)
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n/an/a 55n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206092
PNG
(US9255110, 4)
Show SMILES NCC1CCN(CC1)c1cc(ccc1NC(=O)c1cnn2cccnc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H27N7O2/c27-16-18-9-13-32(14-10-18)23-15-19(25(34)30-20-5-2-1-3-6-20)7-8-22(23)31-26(35)21-17-29-33-12-4-11-28-24(21)33/h1-8,11-12,15,17-18H,9-10,13-14,16,27H2,(H,30,34)(H,31,35)
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n/an/a 450n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206093
PNG
(US9255110, 5)
Show SMILES CC(O)C1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C20H22ClN5O2/c1-13(27)14-5-9-25(10-6-14)18-4-3-15(21)11-17(18)24-20(28)16-12-23-26-8-2-7-22-19(16)26/h2-4,7-8,11-14,27H,5-6,9-10H2,1H3,(H,24,28)
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n/an/a 970n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206094
PNG
(US9255110, 6)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C22H20N4O3S/c27-14-3-5-15(6-4-14)29-19-9-17-13(2-1-7-24-17)8-18(19)26-22(28)16-11-30-20-10-23-12-25-21(16)20/h1-2,7-12,14-15,27H,3-6H2,(H,26,28)/t14-,15+
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n/an/a 70n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50040727
PNG
(CHEMBL3353220 | US9255110, 7)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cnc(nc12)N(C)CCN
Show InChI InChI=1S/C20H20N6O2S/c1-26(7-5-21)20-23-10-17-18(25-20)13(11-29-17)19(27)24-15-8-12-4-3-6-22-14(12)9-16(15)28-2/h3-4,6,8-11H,5,7,21H2,1-2H3,(H,24,27)
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n/an/a 983n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206096
PNG
(US9255110, 9)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1cnn2cc(O)cnc12
Show InChI InChI=1S/C17H13N5O3/c1-25-15-6-13-10(3-2-4-18-13)5-14(15)21-17(24)12-8-20-22-9-11(23)7-19-16(12)22/h2-9,23H,1H3,(H,21,24)
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n/an/a 200n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
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