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Compile Data Set for Download or QSAR

Found 9617 hits Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50499195
PNG
(CHEMBL3735504)
Show SMILES CC(C)(C)C(=O)Nc1ccc2n([C@@H]3CC[C@H](CO)CC3)c(NC(=O)c3cccc(c3)C(F)(F)F)nc2c1
Show InChI InChI=1S/C27H31F3N4O3/c1-26(2,3)24(37)31-19-9-12-22-21(14-19)32-25(34(22)20-10-7-16(15-35)8-11-20)33-23(36)17-5-4-6-18(13-17)27(28,29)30/h4-6,9,12-14,16,20,35H,7-8,10-11,15H2,1-3H3,(H,31,37)(H,32,33,36)/t16-,20+
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0.340n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA


Bioorg Med Chem Lett 25: 5546-50 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50499203
PNG
(CHEMBL3736036)
Show SMILES OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C28H33F3N4O2/c29-28(30,31)22-6-4-5-21(16-22)26(37)33-27-32-24-15-20(17-34-13-2-1-3-14-34)9-12-25(24)35(27)23-10-7-19(18-36)8-11-23/h4-6,9,12,15-16,19,23,36H,1-3,7-8,10-11,13-14,17-18H2,(H,32,33,37)/t19-,23+
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0.420n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA


Bioorg Med Chem Lett 25: 5546-50 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50499205
PNG
(CHEMBL3734814)
Show SMILES OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2ccc(CO)cc12
Show InChI InChI=1S/C23H24F3N3O3/c24-23(25,26)17-3-1-2-16(11-17)21(32)28-22-27-19-9-6-15(13-31)10-20(19)29(22)18-7-4-14(12-30)5-8-18/h1-3,6,9-11,14,18,30-31H,4-5,7-8,12-13H2,(H,27,28,32)/t14-,18+
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0.480n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA


Bioorg Med Chem Lett 25: 5546-50 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50514929
PNG
(CHEMBL4474636)
Show SMILES OCC1CCN(CC1)c1cc2nc(sc2cc1NC(=O)c1cnn2cccnc12)N1CCOCC1
Show InChI InChI=1S/C24H27N7O3S/c32-15-16-2-6-29(7-3-16)20-12-19-21(35-24(28-19)30-8-10-34-11-9-30)13-18(20)27-23(33)17-14-26-31-5-1-4-25-22(17)31/h1,4-5,12-14,16,32H,2-3,6-11,15H2,(H,27,33)
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0.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...


J Med Chem 62: 6223-6240 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00439
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50514930
PNG
(CHEMBL4464832)
Show SMILES CN(C)c1nc2cc(N3CCC(CO)CC3)c(NC(=O)c3cnn4cccnc34)cc2s1
Show InChI InChI=1S/C22H25N7O2S/c1-27(2)22-26-17-10-18(28-8-4-14(13-30)5-9-28)16(11-19(17)32-22)25-21(31)15-12-24-29-7-3-6-23-20(15)29/h3,6-7,10-12,14,30H,4-5,8-9,13H2,1-2H3,(H,25,31)
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0.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...


J Med Chem 62: 6223-6240 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00439
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50499208
PNG
(CHEMBL3734872)
Show SMILES O[C@H]1CC[C@@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(CN3CCCC3=O)ccc12
Show InChI InChI=1S/C25H27N5O5/c31-20-9-7-18(8-10-20)29-22-11-6-16(15-28-12-2-5-23(28)32)13-21(22)26-25(29)27-24(33)17-3-1-4-19(14-17)30(34)35/h1,3-4,6,11,13-14,18,20,31H,2,5,7-10,12,15H2,(H,26,27,33)/t18-,20-
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0.5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA


Bioorg Med Chem Lett 25: 5546-50 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50499194
PNG
(CHEMBL3734854)
Show SMILES OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C27H33N5O4/c33-18-19-7-10-22(11-8-19)31-25-12-9-20(17-30-13-2-1-3-14-30)15-24(25)28-27(31)29-26(34)21-5-4-6-23(16-21)32(35)36/h4-6,9,12,15-16,19,22,33H,1-3,7-8,10-11,13-14,17-18H2,(H,28,29,34)/t19-,22+
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0.700n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA


Bioorg Med Chem Lett 25: 5546-50 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50514924
PNG
(CHEMBL4568867)
Show SMILES O=C(Nc1cc2sc(nc2cc1N1CCOCC1)N1CCOCC1)c1cnn2cccnc12
Show InChI InChI=1S/C22H23N7O3S/c30-21(15-14-24-29-3-1-2-23-20(15)29)25-16-13-19-17(12-18(16)27-4-8-31-9-5-27)26-22(33-19)28-6-10-32-11-7-28/h1-3,12-14H,4-11H2,(H,25,30)
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0.800n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...


J Med Chem 62: 6223-6240 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00439
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50040805
PNG
(CHEMBL3361255)
Show SMILES NC(=O)[C@@H](O)C[C@H]1CCc2sc3ncnc(O[C@H]4CC[C@@H](CC4)N4CCOCC4)c3c12
Show InChI InChI=1S/C22H30N4O4S/c23-20(28)16(27)11-13-1-6-17-18(13)19-21(24-12-25-22(19)31-17)30-15-4-2-14(3-5-15)26-7-9-29-10-8-26/h12-16,27H,1-11H2,(H2,23,28)/t13-,14-,15-,16+/m1/s1
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1n/an/an/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human IRAK4 (1 to 460 amino acids) assessed as reduction in phosphorylated substrates by Caliper 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 4


(Homo sapiens (Human))
BDBM50514935
PNG
(CHEMBL4520118)
Show SMILES CC1(C)Cc2cc(NC(=O)c3cnn4cc(cnc34)C(N)=O)c(cc2O1)N1CCOCC1
Show InChI InChI=1S/C22H24N6O4/c1-22(2)9-13-7-16(17(8-18(13)32-22)27-3-5-31-6-4-27)26-21(30)15-11-25-28-12-14(19(23)29)10-24-20(15)28/h7-8,10-12H,3-6,9H2,1-2H3,(H2,23,29)(H,26,30)
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1.10n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...


J Med Chem 62: 6223-6240 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00439
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50514941
PNG
(CHEMBL4515682)
Show SMILES OCC1CCN(CC1)c1cc2nc(oc2cc1NC(=O)c1cnn2cccnc12)N1CCOCC1
Show InChI InChI=1S/C24H27N7O4/c32-15-16-2-6-29(7-3-16)20-12-19-21(35-24(28-19)30-8-10-34-11-9-30)13-18(20)27-23(33)17-14-26-31-5-1-4-25-22(17)31/h1,4-5,12-14,16,32H,2-3,6-11,15H2,(H,27,33)
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1.20n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...


J Med Chem 62: 6223-6240 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00439
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50040726
PNG
(CHEMBL1236126)
Show SMILES CC(C)(C)C(=O)Oc1ccc2n(CCCO)c(NC(=O)c3cccc(c3)[N+]([O-])=O)nc2c1
Show InChI InChI=1S/C22H24N4O6/c1-22(2,3)20(29)32-16-8-9-18-17(13-16)23-21(25(18)10-5-11-27)24-19(28)14-6-4-7-15(12-14)26(30)31/h4,6-9,12-13,27H,5,10-11H2,1-3H3,(H,23,24,28)
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1.20n/an/an/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (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
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50499197
PNG
(CHEMBL3736465)
Show SMILES OCCc1ccc(cc1)-n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C29H29F3N4O2/c30-29(31,32)23-6-4-5-22(18-23)27(38)34-28-33-25-17-21(19-35-14-2-1-3-15-35)9-12-26(25)36(28)24-10-7-20(8-11-24)13-16-37/h4-12,17-18,37H,1-3,13-16,19H2,(H,33,34,38)
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1.30n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA


Bioorg Med Chem Lett 25: 5546-50 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50511349
PNG
(CHEMBL4475494)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1
Show InChI InChI=1S/C24H27FN6O4/c1-24(2,34)20(25)14-30-13-15-10-18(19(11-16(15)23(30)33)29-6-8-35-9-7-29)28-22(32)17-12-27-31-5-3-4-26-21(17)31/h3-5,10-12,20,34H,6-9,13-14H2,1-2H3,(H,28,32)/t20-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length N-terminal His6-tagged human IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR pep...


ACS Med Chem Lett 11: 327-333 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00380
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50514919
PNG
(CHEMBL4467170)
Show SMILES CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(CO)CC1
Show InChI InChI=1S/C23H27N5O3/c1-23(2)12-16-10-18(26-22(30)17-13-25-28-7-3-6-24-21(17)28)19(11-20(16)31-23)27-8-4-15(14-29)5-9-27/h3,6-7,10-11,13,15,29H,4-5,8-9,12,14H2,1-2H3,(H,26,30)
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1.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...


J Med Chem 62: 6223-6240 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00439
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50499206
PNG
(CHEMBL3735949)
Show SMILES OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(F)ccc12
Show InChI InChI=1S/C21H21FN4O4/c22-15-6-9-19-18(11-15)23-21(25(19)16-7-4-13(12-27)5-8-16)24-20(28)14-2-1-3-17(10-14)26(29)30/h1-3,6,9-11,13,16,27H,4-5,7-8,12H2,(H,23,24,28)/t13-,16+
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1.60n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA


Bioorg Med Chem Lett 25: 5546-50 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50514940
PNG
(CHEMBL4453861)
Show SMILES OCC1CCN(CC1)c1cc2ncccc2cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C22H22N6O2/c29-14-15-4-9-27(10-5-15)20-12-18-16(3-1-6-23-18)11-19(20)26-22(30)17-13-25-28-8-2-7-24-21(17)28/h1-3,6-8,11-13,15,29H,4-5,9-10,14H2,(H,26,30)
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1.70n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...


J Med Chem 62: 6223-6240 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00439
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50514927
PNG
(CHEMBL4460055)
Show SMILES OCC1CCN(CC1)c1cc2nc([nH]c2cc1NC(=O)c1cnn2cccnc12)N1CCOCC1
Show InChI InChI=1S/C24H28N8O3/c33-15-16-2-6-30(7-3-16)21-13-19-18(28-24(29-19)31-8-10-35-11-9-31)12-20(21)27-23(34)17-14-26-32-5-1-4-25-22(17)32/h1,4-5,12-14,16,33H,2-3,6-11,15H2,(H,27,34)(H,28,29)
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1.70n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...


J Med Chem 62: 6223-6240 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00439
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50514942
PNG
(CHEMBL4483477)
Show SMILES Cn1c(nc2cc(N3CCC(CO)CC3)c(NC(=O)c3cnn4cccnc34)cc12)N1CCOCC1
Show InChI InChI=1S/C25H30N8O3/c1-30-21-13-20(28-24(35)18-15-27-33-6-2-5-26-23(18)33)22(31-7-3-17(16-34)4-8-31)14-19(21)29-25(30)32-9-11-36-12-10-32/h2,5-6,13-15,17,34H,3-4,7-12,16H2,1H3,(H,28,35)
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1.80n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...


J Med Chem 62: 6223-6240 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00439
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50511360
PNG
(CHEMBL4556091)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCC(CC1)N1CCC1
Show InChI InChI=1S/C28H34FN7O3/c1-28(2,39)24(29)17-35-16-18-13-22(32-26(37)21-15-31-36-10-3-7-30-25(21)36)23(14-20(18)27(35)38)34-11-5-19(6-12-34)33-8-4-9-33/h3,7,10,13-15,19,24,39H,4-6,8-9,11-12,16-17H2,1-2H3,(H,32,37)/t24-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length N-terminal His6-tagged human IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR pep...


ACS Med Chem Lett 11: 327-333 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00380
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50511362
PNG
(CHEMBL4466981)
Show SMILES COC(C)(C)CCN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1
Show InChI InChI=1S/C25H30N6O4/c1-25(2,34-3)5-8-30-16-17-13-20(21(14-18(17)24(30)33)29-9-11-35-12-10-29)28-23(32)19-15-27-31-7-4-6-26-22(19)31/h4,6-7,13-15H,5,8-12,16H2,1-3H3,(H,28,32)
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1.90n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length N-terminal His6-tagged human IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR pep...


ACS Med Chem Lett 11: 327-333 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00380
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM206090
PNG
(US9255110, 2)
Show SMILES NCC1CCN(CC1)c1cc2ncccc2cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C22H23N7O/c23-13-15-4-9-28(10-5-15)20-12-18-16(3-1-6-24-18)11-19(20)27-22(30)17-14-26-29-8-2-7-25-21(17)29/h1-3,6-8,11-12,14-15H,4-5,9-10,13,23H2,(H,27,30)
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2n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...


J Med Chem 62: 6223-6240 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00439
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50514949
PNG
(CHEMBL4483551)
Show SMILES CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CC(N)=O)CC1
Show InChI InChI=1S/C23H27N7O3/c1-23(2)12-15-10-17(27-22(32)16-13-26-30-5-3-4-25-21(16)30)18(11-19(15)33-23)29-8-6-28(7-9-29)14-20(24)31/h3-5,10-11,13H,6-9,12,14H2,1-2H3,(H2,24,31)(H,27,32)
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2.10n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...


J Med Chem 62: 6223-6240 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00439
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50511358
PNG
(CHEMBL4472406)
Show SMILES CC(C)(O)CCN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCOCC1
Show InChI InChI=1S/C24H28N6O4/c1-24(2,33)4-7-29-15-16-12-19(20(13-17(16)23(29)32)28-8-10-34-11-9-28)27-22(31)18-14-26-30-6-3-5-25-21(18)30/h3,5-6,12-14,33H,4,7-11,15H2,1-2H3,(H,27,31)
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2.20n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length N-terminal His6-tagged human IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR pep...


ACS Med Chem Lett 11: 327-333 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00380
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50511359
PNG
(CHEMBL4545898)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCN(CC(F)F)CC1
Show InChI InChI=1S/C26H30F3N7O3/c1-26(2,39)21(27)14-35-13-16-10-19(32-24(37)18-12-31-36-5-3-4-30-23(18)36)20(11-17(16)25(35)38)34-8-6-33(7-9-34)15-22(28)29/h3-5,10-12,21-22,39H,6-9,13-15H2,1-2H3,(H,32,37)/t21-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length N-terminal His6-tagged human IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR pep...


ACS Med Chem Lett 11: 327-333 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00380
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50499199
PNG
(CHEMBL3735673)
Show SMILES O[C@H]1CC[C@@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C26H31N5O4/c32-22-10-8-20(9-11-22)30-24-12-7-18(17-29-13-2-1-3-14-29)15-23(24)27-26(30)28-25(33)19-5-4-6-21(16-19)31(34)35/h4-7,12,15-16,20,22,32H,1-3,8-11,13-14,17H2,(H,27,28,33)/t20-,22-
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2.80n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA


Bioorg Med Chem Lett 25: 5546-50 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50499198
PNG
(CHEMBL3736278)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccccc1
Show InChI InChI=1S/C27H25F3N4O/c28-27(29,30)21-9-7-8-20(17-21)25(35)32-26-31-23-16-19(18-33-14-5-2-6-15-33)12-13-24(23)34(26)22-10-3-1-4-11-22/h1,3-4,7-13,16-17H,2,5-6,14-15,18H2,(H,31,32,35)
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2.80n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA


Bioorg Med Chem Lett 25: 5546-50 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50514945
PNG
(CHEMBL4461516)
Show SMILES CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C23H26N6O3/c1-23(2)12-15-10-17(27-22(31)16-13-26-29-7-3-6-25-21(16)29)18(11-19(15)32-23)28-8-4-14(5-9-28)20(24)30/h3,6-7,10-11,13-14H,4-5,8-9,12H2,1-2H3,(H2,24,30)(H,27,31)
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3.20n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...


J Med Chem 62: 6223-6240 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00439
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50514931
PNG
(CHEMBL4466092)
Show SMILES CC1(C)Cc2cc(NC(=O)c3cnn4cc(O)cnc34)c(cc2O1)N1CCOCC1
Show InChI InChI=1S/C21H23N5O4/c1-21(2)9-13-7-16(17(8-18(13)30-21)25-3-5-29-6-4-25)24-20(28)15-11-23-26-12-14(27)10-22-19(15)26/h7-8,10-12,27H,3-6,9H2,1-2H3,(H,24,28)
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3.20n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...


J Med Chem 62: 6223-6240 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00439
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50511366
PNG
(CHEMBL4568894)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCC(CC1)N1CC(F)(F)C1
Show InChI InChI=1S/C28H32F3N7O3/c1-27(2,41)23(29)14-36-13-17-10-21(34-25(39)20-12-33-38-7-3-6-32-24(20)38)22(11-19(17)26(36)40)35-8-4-18(5-9-35)37-15-28(30,31)16-37/h3,6-7,10-12,18,23,41H,4-5,8-9,13-16H2,1-2H3,(H,34,39)/t23-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length N-terminal His6-tagged human IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR pep...


ACS Med Chem Lett 11: 327-333 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00380
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50511361
PNG
(CHEMBL4445098)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCN(CC1)C1CC(F)(F)C1
Show InChI InChI=1S/C28H32F3N7O3/c1-27(2,41)23(29)16-37-15-17-10-21(34-25(39)20-14-33-38-5-3-4-32-24(20)38)22(11-19(17)26(37)40)36-8-6-35(7-9-36)18-12-28(30,31)13-18/h3-5,10-11,14,18,23,41H,6-9,12-13,15-16H2,1-2H3,(H,34,39)/t23-/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length N-terminal His6-tagged human IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR pep...


ACS Med Chem Lett 11: 327-333 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00380
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50514939
PNG
(CHEMBL4438027)
Show SMILES CNC(=O)CN1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C24H29N7O3/c1-24(2)13-16-11-18(28-23(33)17-14-27-31-6-4-5-26-22(17)31)19(12-20(16)34-24)30-9-7-29(8-10-30)15-21(32)25-3/h4-6,11-12,14H,7-10,13,15H2,1-3H3,(H,25,32)(H,28,33)
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3.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...


J Med Chem 62: 6223-6240 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00439
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50511348
PNG
(CHEMBL4566431)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCN(CC1)C1COC1
Show InChI InChI=1S/C27H32FN7O4/c1-27(2,38)23(28)14-34-13-17-10-21(31-25(36)20-12-30-35-5-3-4-29-24(20)35)22(11-19(17)26(34)37)33-8-6-32(7-9-33)18-15-39-16-18/h3-5,10-12,18,23,38H,6-9,13-16H2,1-2H3,(H,31,36)/t23-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length N-terminal His6-tagged human IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR pep...


ACS Med Chem Lett 11: 327-333 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00380
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50511357
PNG
(CHEMBL4452765)
Show SMILES O=C(Nc1cc2CN(CC3CCOCC3)C(=O)c2cc1N1CCOCC1)c1cnn2cccnc12
Show InChI InChI=1S/C25H28N6O4/c32-24(20-14-27-31-5-1-4-26-23(20)31)28-21-12-18-16-30(15-17-2-8-34-9-3-17)25(33)19(18)13-22(21)29-6-10-35-11-7-29/h1,4-5,12-14,17H,2-3,6-11,15-16H2,(H,28,32)
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3.70n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length N-terminal His6-tagged human IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR pep...


ACS Med Chem Lett 11: 327-333 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00380
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50499202
PNG
(CHEMBL3735523)
Show SMILES O[C@H]1CC[C@@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(CN3CCOCC3)ccc12
Show InChI InChI=1S/C25H29N5O5/c31-21-7-5-19(6-8-21)29-23-9-4-17(16-28-10-12-35-13-11-28)14-22(23)26-25(29)27-24(32)18-2-1-3-20(15-18)30(33)34/h1-4,9,14-15,19,21,31H,5-8,10-13,16H2,(H,26,27,32)/t19-,21-
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3.80n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA


Bioorg Med Chem Lett 25: 5546-50 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50511365
PNG
(CHEMBL4473269)
Show SMILES CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1
Show InChI InChI=1S/C21H23N5O3/c1-21(2)12-14-10-16(17(11-18(14)29-21)25-6-8-28-9-7-25)24-20(27)15-13-23-26-5-3-4-22-19(15)26/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,24,27)
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5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length N-terminal His6-tagged human IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR pep...


ACS Med Chem Lett 11: 327-333 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00380
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50511364
PNG
(CHEMBL4466517)
Show SMILES C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1
Show InChI InChI=1S/C21H23N5O4/c1-21(13-27)11-14-9-16(17(10-18(14)30-21)25-5-7-29-8-6-25)24-20(28)15-12-23-26-4-2-3-22-19(15)26/h2-4,9-10,12,27H,5-8,11,13H2,1H3,(H,24,28)/t21-/m1/s1
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5.10n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...


J Med Chem 62: 6223-6240 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00439
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50511365
PNG
(CHEMBL4473269)
Show SMILES CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1
Show InChI InChI=1S/C21H23N5O3/c1-21(2)12-14-10-16(17(11-18(14)29-21)25-6-8-28-9-7-25)24-20(27)15-13-23-26-5-3-4-22-19(15)26/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,24,27)
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5.30n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...


J Med Chem 62: 6223-6240 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00439
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50514937
PNG
(CHEMBL4531013)
Show SMILES CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCCC(O)CC1
Show InChI InChI=1S/C23H27N5O3/c1-23(2)13-15-11-18(26-22(30)17-14-25-28-9-4-7-24-21(17)28)19(12-20(15)31-23)27-8-3-5-16(29)6-10-27/h4,7,9,11-12,14,16,29H,3,5-6,8,10,13H2,1-2H3,(H,26,30)
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5.80n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...


J Med Chem 62: 6223-6240 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00439
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50514934
PNG
(CHEMBL4456286)
Show SMILES CC1(C)Cc2cc(NC(=O)c3cnn4cc(cnc34)C#N)c(cc2O1)N1CCOCC1
Show InChI InChI=1S/C22H22N6O3/c1-22(2)9-15-7-17(18(8-19(15)31-22)27-3-5-30-6-4-27)26-21(29)16-12-25-28-13-14(10-23)11-24-20(16)28/h7-8,11-13H,3-6,9H2,1-2H3,(H,26,29)
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6.10n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...


J Med Chem 62: 6223-6240 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00439
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50511352
PNG
(CHEMBL4439292)
Show SMILES CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1O)N1CCOCC1
Show InChI InChI=1S/C22H25N5O3/c1-22(2)12-14-10-17(18(11-15(14)19(22)28)26-6-8-30-9-7-26)25-21(29)16-13-24-27-5-3-4-23-20(16)27/h3-5,10-11,13,19,28H,6-9,12H2,1-2H3,(H,25,29)
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6.10n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length N-terminal His6-tagged human IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR pep...


ACS Med Chem Lett 11: 327-333 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00380
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50499200
PNG
(CHEMBL3735044)
Show SMILES OC[C@H]1CC[C@@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(F)ccc12
Show InChI InChI=1S/C21H21FN4O4/c22-15-6-9-19-18(11-15)23-21(25(19)16-7-4-13(12-27)5-8-16)24-20(28)14-2-1-3-17(10-14)26(29)30/h1-3,6,9-11,13,16,27H,4-5,7-8,12H2,(H,23,24,28)/t13-,16-
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6.40n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA


Bioorg Med Chem Lett 25: 5546-50 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50499210
PNG
(CHEMBL3734846)
Show SMILES O[C@H]1CC[C@@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(F)ccc12
Show InChI InChI=1S/C20H19FN4O4/c21-13-4-9-18-17(11-13)22-20(24(18)14-5-7-16(26)8-6-14)23-19(27)12-2-1-3-15(10-12)25(28)29/h1-4,9-11,14,16,26H,5-8H2,(H,22,23,27)/t14-,16-
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6.5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA


Bioorg Med Chem Lett 25: 5546-50 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50514944
PNG
(CHEMBL4518559)
Show SMILES CC1(C)Cc2cc(NC(=O)c3cnn4cc(CO)cnc34)c(cc2O1)N1CCOCC1
Show InChI InChI=1S/C22H25N5O4/c1-22(2)9-15-7-17(18(8-19(15)31-22)26-3-5-30-6-4-26)25-21(29)16-11-24-27-12-14(13-28)10-23-20(16)27/h7-8,10-12,28H,3-6,9,13H2,1-2H3,(H,25,29)
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6.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...


J Med Chem 62: 6223-6240 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00439
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50514938
PNG
(CHEMBL4584820)
Show SMILES CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CCO)CC1
Show InChI InChI=1S/C23H28N6O3/c1-23(2)14-16-12-18(26-22(31)17-15-25-29-5-3-4-24-21(17)29)19(13-20(16)32-23)28-8-6-27(7-9-28)10-11-30/h3-5,12-13,15,30H,6-11,14H2,1-2H3,(H,26,31)
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6.60n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...


J Med Chem 62: 6223-6240 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00439
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50514926
PNG
(CHEMBL4554579)
Show SMILES OCC1CCN(CC1)c1cc2nc[nH]c2cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C20H21N7O2/c28-11-13-2-6-26(7-3-13)18-9-16-15(22-12-23-16)8-17(18)25-20(29)14-10-24-27-5-1-4-21-19(14)27/h1,4-5,8-10,12-13,28H,2-3,6-7,11H2,(H,22,23)(H,25,29)
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6.70n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...


J Med Chem 62: 6223-6240 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00439
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50514921
PNG
(CHEMBL4576141)
Show SMILES CC(C)(O)[C@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1
Show InChI InChI=1S/C23H27N5O4/c1-22(2,30)23(3)13-15-11-17(18(12-19(15)32-23)27-7-9-31-10-8-27)26-21(29)16-14-25-28-6-4-5-24-20(16)28/h4-6,11-12,14,30H,7-10,13H2,1-3H3,(H,26,29)/t23-/m0/s1
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7.30n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...


J Med Chem 62: 6223-6240 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00439
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50514950
PNG
(CHEMBL4524886)
Show SMILES CN1CCC2(Cc3cc(NC(=O)c4cnn5cccnc45)c(cc3O2)N2CCOCC2)CC1
Show InChI InChI=1S/C24H28N6O3/c1-28-7-3-24(4-8-28)15-17-13-19(20(14-21(17)33-24)29-9-11-32-12-10-29)27-23(31)18-16-26-30-6-2-5-25-22(18)30/h2,5-6,13-14,16H,3-4,7-12,15H2,1H3,(H,27,31)
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7.40n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...


J Med Chem 62: 6223-6240 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00439
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50040806
PNG
(CHEMBL3361254)
Show SMILES NC(=O)C[C@H]1CCc2sc3ncnc(O[C@H]4CC[C@@H](CC4)N4CCOCC4)c3c12
Show InChI InChI=1S/C21H28N4O3S/c22-17(26)11-13-1-6-16-18(13)19-20(23-12-24-21(19)29-16)28-15-4-2-14(3-5-15)25-7-9-27-10-8-25/h12-15H,1-11H2,(H2,22,26)/t13-,14-,15-/m1/s1
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7.5n/an/an/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human IRAK4 (1 to 460 amino acids) assessed as reduction in phosphorylated substrates by Caliper 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
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50511363
PNG
(CHEMBL4536154)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2S1(=O)=O)N1CCOCC1
Show InChI InChI=1S/C23H27FN6O5S/c1-23(2,32)20(24)14-29-13-15-10-17(27-22(31)16-12-26-30-5-3-4-25-21(16)30)18(11-19(15)36(29,33)34)28-6-8-35-9-7-28/h3-5,10-12,20,32H,6-9,13-14H2,1-2H3,(H,27,31)/t20-/m1/s1
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7.80n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length N-terminal His6-tagged human IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR pep...


ACS Med Chem Lett 11: 327-333 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00380
More data for this
Ligand-Target Pair
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