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Compile Data Set for Download or QSAR

Found 213 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))
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))
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



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK1 (unknown origin)


J Med Chem 58: 96-110 (2015)


Article DOI: 10.1021/jm5016044
BindingDB Entry DOI: 10.7270/Q2P84DHS
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))
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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n/an/a<100n/an/an/an/a7.0n/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 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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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 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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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 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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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 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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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 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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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 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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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 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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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 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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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 IRA...


US Patent US10064861 (2018)

More data for this
Ligand-Target Pair
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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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 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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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 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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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 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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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 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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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 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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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 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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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 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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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 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))
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))
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))
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))
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))
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))
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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n/an/a<100n/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK1 (unknown origin) by radiochemical assay


J Med Chem 58: 96-110 (2015)


Article DOI: 10.1021/jm5016044
BindingDB Entry DOI: 10.7270/Q2P84DHS
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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Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK1 (unknown origin) by radiochemical assay


J Med Chem 58: 96-110 (2015)


Article DOI: 10.1021/jm5016044
BindingDB Entry DOI: 10.7270/Q2P84DHS
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50040734
PNG
(CHEMBL3353214)
Show SMILES CN(C)C(=O)Cc1ccc2nc(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)[nH]c2c1
Show InChI InChI=1S/C28H25N7O3/c1-34(2)26(37)15-18-8-9-23-24(14-18)31-28(30-23)32-27(38)20-6-3-5-19(13-20)17-35-25(36)11-10-22(33-35)21-7-4-12-29-16-21/h3-14,16H,15,17H2,1-2H3,(H2,30,31,32,38)
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Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK1 (unknown origin) by radiochemical assay


J Med Chem 58: 96-110 (2015)


Article DOI: 10.1021/jm5016044
BindingDB Entry DOI: 10.7270/Q2P84DHS
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50040744
PNG
(CHEMBL3353213)
Show SMILES OCc1ccc2nc(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)[nH]c2c1
Show InChI InChI=1S/C25H20N6O3/c32-15-17-6-7-21-22(12-17)28-25(27-21)29-24(34)18-4-1-3-16(11-18)14-31-23(33)9-8-20(30-31)19-5-2-10-26-13-19/h1-13,32H,14-15H2,(H2,27,28,29,34)
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Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK1 (unknown origin) by radiochemical assay


J Med Chem 58: 96-110 (2015)


Article DOI: 10.1021/jm5016044
BindingDB Entry DOI: 10.7270/Q2P84DHS
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM286217
PNG
(N-(1H-Benzoimidazol-2-yl)-3-(6-oxo-3-pyridin-3-yl-...)
Show SMILES O=C(Nc1nc2ccccc2[nH]1)c1cccc(Cn2nc(ccc2=O)-c2cccnc2)c1
Show InChI InChI=1S/C24H18N6O2/c31-22-11-10-19(18-7-4-12-25-14-18)29-30(22)15-16-5-3-6-17(13-16)23(32)28-24-26-20-8-1-2-9-21(20)27-24/h1-14H,15H2,(H2,26,27,28,32)
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US Patent


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


US Patent US9567320 (2017)

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


(Homo sapiens (Human))
BDBM286238
PNG
(N-(5-Hydroxymethyl-1H-benzoimidazol-2-yl)-3-(6-oxo...)
Show SMILES OCc1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)nc2c1
Show InChI InChI=1S/C25H20N6O3/c32-15-17-6-7-21-22(12-17)28-25(27-21)29-24(34)18-4-1-3-16(11-18)14-31-23(33)9-8-20(30-31)19-5-2-10-26-13-19/h1-13,32H,14-15H2,(H2,27,28,29,34)
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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 US9567320 (2017)

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


(Homo sapiens (Human))
BDBM286247
PNG
(N-(5-Dimethylcarbamoylmethyl-1H-benzoimidazol-2-yl...)
Show SMILES CN(C)C(=O)Cc1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)nc2c1
Show InChI InChI=1S/C28H25N7O3/c1-34(2)26(37)15-18-8-9-23-24(14-18)31-28(30-23)32-27(38)20-6-3-5-19(13-20)17-35-25(36)11-10-22(33-35)21-7-4-12-29-16-21/h3-14,16H,15,17H2,1-2H3,(H2,30,31,32,38)
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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 US9567320 (2017)

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


(Homo sapiens (Human))
BDBM286259
PNG
(3-[3-(6-Amino-pyridin-3-yl)-6-oxo-6H-pyridazin-1-y...)
Show SMILES Nc1ccc(cn1)-c1ccc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)n1
Show InChI InChI=1S/C24H19N7O2/c25-21-10-8-17(13-26-21)18-9-11-22(32)31(30-18)14-15-4-3-5-16(12-15)23(33)29-24-27-19-6-1-2-7-20(19)28-24/h1-13H,14H2,(H2,25,26)(H2,27,28,29,33)
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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 IRA...


US Patent US9567320 (2017)

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


(Homo sapiens (Human))
BDBM286276
PNG
(N-(1H-benzo[d]imidazol-2-yl)-3-((3-(4-methylpyridi...)
Show SMILES Cc1ccncc1-c1ccc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)n1
Show InChI InChI=1S/C25H20N6O2/c1-16-11-12-26-14-19(16)20-9-10-23(32)31(30-20)15-17-5-4-6-18(13-17)24(33)29-25-27-21-7-2-3-8-22(21)28-25/h2-14H,15H2,1H3,(H2,27,28,29,33)
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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 IRA...


US Patent US9567320 (2017)

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


(Homo sapiens (Human))
BDBM286325
PNG
(N-(5-methoxy-1H-benzo[d]imidazol-2-yl)-3-((6-oxo-3...)
Show SMILES COc1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)nc2c1
Show InChI InChI=1S/C25H20N6O3/c1-34-19-7-8-21-22(13-19)28-25(27-21)29-24(33)17-5-2-4-16(12-17)15-31-23(32)10-9-20(30-31)18-6-3-11-26-14-18/h2-14H,15H2,1H3,(H2,27,28,29,33)
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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 IRA...


US Patent US9567320 (2017)

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


(Homo sapiens (Human))
BDBM286326
PNG
(US9567320, Example 17**:)
Show SMILES OCc1cncc(c1)-c1ccc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)n1
Show InChI InChI=1S/C25H20N6O3/c32-15-17-11-19(13-26-12-17)20-8-9-23(33)31(30-20)14-16-4-3-5-18(10-16)24(34)29-25-27-21-6-1-2-7-22(21)28-25/h1-13,32H,14-15H2,(H2,27,28,29,34)
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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 IRA...


US Patent US9567320 (2017)

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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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 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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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 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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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 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)
PDB

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UniProtKB/SwissProt

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n/an/a<100n/an/an/an/a7.0n/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 IRA...


US Patent US10064861 (2018)

More data for this
Ligand-Target Pair
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