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Compile Data Set for Download or QSAR

Found 7745 hits of ic50 for UniProtKB: Q9NWZ3   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50040792
PNG
(CHEMBL3353195 | US9546153, ex. 510)
Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3n2)cc1NC1CCOCC1
Show InChI InChI=1/C25H31N7O3S/c1-26-23(33)15-2-4-16(5-3-15)30-24(34)18-13-27-22(12-20(18)29-17-8-10-35-11-9-17)31-21-7-6-19-25(32-21)36-14-28-19/h6-7,12-17H,2-5,8-11H2,1H3,(H,26,33)(H,30,34)(H2,27,29,31,32)/t15-,16-
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n/an/a 0.00150n/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin) using fluoresceinated peptide and ATP after 60 mins by 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))
BDBM50040790
PNG
(CHEMBL3353197 | US10227340, Example 27 | US9242975...)
Show SMILES CNC(=O)c1nc(sc1C)-c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C
Show InChI InChI=1S/C21H22N6OS2/c1-11(2)25-16-8-18(26-13-5-6-15-17(7-13)29-10-24-15)23-9-14(16)21-27-19(12(3)30-21)20(28)22-4/h5-11H,1-4H3,(H,22,28)(H2,23,25,26)
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n/an/a 0.00180n/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin) using fluoresceinated peptide and ATP after 60 mins by 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))
BDBM50040791
PNG
(CHEMBL3353196)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(s1)C(=O)N1CC[C@H](O)C1
Show InChI InChI=1/C22H23N7O2S2/c1-12(2)25-17-8-19(26-13-3-4-16-18(7-13)32-11-24-16)23-9-15(17)20-27-28-21(33-20)22(31)29-6-5-14(30)10-29/h3-4,7-9,11-12,14,30H,5-6,10H2,1-2H3,(H2,23,25,26)/t14-/s2
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n/an/a 0.00280n/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin) using fluoresceinated peptide and ATP after 60 mins by 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))
BDBM50040793
PNG
(CHEMBL3352825 | US9546153, ex. 79)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3cnccc3n2)cc1NC1CC1
Show InChI InChI=1/C22H25FN6O2/c1-22(2,31)18(23)12-26-21(30)15-11-25-20(9-17(15)27-14-4-5-14)29-19-6-3-13-10-24-8-7-16(13)28-19/h3,6-11,14,18,31H,4-5,12H2,1-2H3,(H,26,30)(H2,25,27,28,29)/t18-/s2
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n/an/a 0.00560n/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin) using fluoresceinated peptide and ATP after 60 mins by 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))
BDBM50239500
PNG
(CHEMBL4066705 | US10329302, Example 337)
Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@@H]1F
Show InChI InChI=1/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15+/s2
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n/an/a 0.100n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ...


J Med Chem 60: 5521-5542 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00231
BindingDB Entry DOI: 10.7270/Q26D5W42
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50239499
PNG
(CHEMBL4081711 | US10329302, Example 344)
Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F
Show InChI InChI=1/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/s2
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n/an/a 0.100n/an/an/an/an/an/a



Pfizer Inc

US Patent


Assay Description
This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...


US Patent US10329302 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM403214
PNG
(US10329302, Example 370)
Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3CCF)nccc2cc1C(N)=O
Show InChI InChI=1S/C18H19F2N3O4/c1-26-14-7-11-9(6-12(14)16(21)24)3-5-22-18(11)27-8-13-10(2-4-19)15(20)17(25)23-13/h3,5-7,10,13,15H,2,4,8H2,1H3,(H2,21,24)(H,23,25)/t10-,13+,15-/m0/s1
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Pfizer Inc

US Patent


Assay Description
This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...


US Patent US10329302 (2019)

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


(Homo sapiens (Human))
BDBM403204
PNG
(US10329302, Example 360)
Show SMILES CC[C@H]1[C@@H](COc2ncc(F)c3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F
Show InChI InChI=1S/C18H19F2N3O4/c1-3-8-13(23-17(25)15(8)20)7-27-18-10-5-14(26-2)11(16(21)24)4-9(10)12(19)6-22-18/h4-6,8,13,15H,3,7H2,1-2H3,(H2,21,24)(H,23,25)/t8-,13+,15-/m0/s1
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Pfizer Inc

US Patent


Assay Description
This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...


US Patent US10329302 (2019)

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


(Homo sapiens (Human))
BDBM50239500
PNG
(CHEMBL4066705 | US10329302, Example 337)
Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@@H]1F
Show InChI InChI=1/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15+/s2
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Pfizer Inc

US Patent


Assay Description
This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...


US Patent US10329302 (2019)

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


(Homo sapiens (Human))
BDBM319575
PNG
(5-(((2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-...)
Show SMILES CC[C@H]1[C@@H](COc2cccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F
Show InChI InChI=1/C19H21FN2O4/c1-3-11-14(22-19(24)17(11)20)9-26-15-6-4-5-10-7-13(18(21)23)16(25-2)8-12(10)15/h4-8,11,14,17H,3,9H2,1-2H3,(H2,21,23)(H,22,24)/t11-,14+,17-/s2
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Pfizer Inc

US Patent


Assay Description
This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...


US Patent US10174000 (2019)


Article DOI: 10.1016/j.bmcl.2005.11.052
BindingDB Entry DOI: 10.7270/Q27S7QWQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50239499
PNG
(CHEMBL4081711 | US10329302, Example 344)
Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F
Show InChI InChI=1/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/s2
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n/an/a 0.200n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ...


J Med Chem 60: 5521-5542 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00231
BindingDB Entry DOI: 10.7270/Q26D5W42
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM302996
PNG
(US9598440, 137)
Show SMILES Cc1cc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)cc(C)n1
Show InChI InChI=1/C25H29N7O3S/c1-12-7-14(8-13(2)28-12)29-24-27-10-15(23-31-18-11-26-6-5-19(18)36-23)22(32-24)30-17-9-16(25(3,4)35)20(33)21(17)34/h5-8,10-11,16-17,20-21,33-35H,9H2,1-4H3,(H2,27,28,29,30,32)/p+1/t16-,17+,20+,21-/s2
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Merck Sharp & Dohme Corp

US Patent


Assay Description
Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...


US Patent US9598440 (2017)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2XG9T6V
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50130661
PNG
(CHEMBL3634510 | US10329294, Example 162)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCCNC4)nc23)c(n1)C(F)F
Show InChI InChI=1/C18H22F2N8O/c1-27-10-13(15(26-27)16(19)20)24-18(29)12-9-22-28-7-5-14(25-17(12)28)23-11-4-2-3-6-21-8-11/h5,7,9-11,16,21H,2-4,6,8H2,1H3,(H,23,25)(H,24,29)/t11-/s2
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n/an/a 0.200n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM302992
PNG
(US9598440, 133)
Show SMILES Cc1csc(n1)-c1cnc(Nc2cc(C)nc(C)c2)nc1N[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)C(C)(C)O
Show InChI InChI=1/C23H30N6O3S/c1-11-6-14(7-12(2)25-11)27-22-24-9-15(21-26-13(3)10-33-21)20(29-22)28-17-8-16(23(4,5)32)18(30)19(17)31/h6-7,9-10,16-19,30-32H,8H2,1-5H3,(H2,24,25,27,28,29)/t16-,17+,18+,19-/s2
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Merck Sharp & Dohme Corp

US Patent


Assay Description
Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...


US Patent US9598440 (2017)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2XG9T6V
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM302983
PNG
(US9598440, 124)
Show SMILES Cc1cc(Nc2ncc(-c3ccc4ccccc4n3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)ccn1
Show InChI InChI=1/C27H30N6O3/c1-15-12-17(10-11-28-15)30-26-29-14-18(21-9-8-16-6-4-5-7-20(16)31-21)25(33-26)32-22-13-19(27(2,3)36)23(34)24(22)35/h4-12,14,19,22-24,34-36H,13H2,1-3H3,(H2,28,29,30,32,33)/p+1/t19-,22+,23+,24-/s2
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Merck Sharp & Dohme Corp

US Patent


Assay Description
Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...


US Patent US9598440 (2017)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2XG9T6V
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM302972
PNG
(US9598440, 113)
Show SMILES Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)cc(C)n1
Show InChI InChI=1/C26H30N6O3S/c1-13-9-15(10-14(2)28-13)29-25-27-12-16(24-31-18-7-5-6-8-20(18)36-24)23(32-25)30-19-11-17(26(3,4)35)21(33)22(19)34/h5-10,12,17,19,21-22,33-35H,11H2,1-4H3,(H2,27,28,29,30,32)/p+1/t17-,19+,21+,22-/s2
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Merck Sharp & Dohme Corp

US Patent


Assay Description
Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...


US Patent US9598440 (2017)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2XG9T6V
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM302970
PNG
(US9598440, 111)
Show SMILES Cc1cc(Nc2ncc(-c3ccc4ccccc4n3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)cc(C)n1
Show InChI InChI=1/C28H32N6O3/c1-15-11-18(12-16(2)30-15)31-27-29-14-19(22-10-9-17-7-5-6-8-21(17)32-22)26(34-27)33-23-13-20(28(3,4)37)24(35)25(23)36/h5-12,14,20,23-25,35-37H,13H2,1-4H3,(H2,29,30,31,33,34)/p+1/t20-,23+,24+,25-/s2
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Merck Sharp & Dohme Corp

US Patent


Assay Description
Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...


US Patent US9598440 (2017)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2XG9T6V
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50068540
PNG
(CHEMBL3403457 | US9598440, 68)
Show SMILES Cc1cc(Nc2ncc(-c3nc4ccncc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1
Show InChI InChI=1/C23H25N7O3S/c1-11-5-14(6-12(2)26-11)27-23-25-8-15(22-29-16-3-4-24-9-18(16)34-22)21(30-23)28-17-7-13(10-31)19(32)20(17)33/h3-6,8-9,13,17,19-20,31-33H,7,10H2,1-2H3,(H2,25,26,27,28,30)/t13-,17-,19-,20+/s2
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Merck Sharp & Dohme Corp

US Patent


Assay Description
Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...


US Patent US9598440 (2017)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2XG9T6V
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278854
PNG
(2-[(3S)- or (3R)- azepan-3-ylamino]-N- [3-(difluor...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCCNC4)nc23)c(n1)C(F)F
Show InChI InChI=1/C18H21F2N7OS.C2HF3O2/c1-27-8-12(15(26-27)16(19)20)24-17(28)11-9-29-18-14(11)25-13(7-22-18)23-10-4-2-3-5-21-6-10;3-2(4,5)1(6)7/h7-10,16,21H,2-6H2,1H3,(H,23,25)(H,24,28);(H,6,7)/t10-;/s2
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Merck Sharp & Dohme Corp

US Patent


Assay Description
The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...


US Patent US10040802 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278846
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-[3-(diflu...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)F
Show InChI InChI=1/C18H21F2N7OS.C2HF3O2/c1-27-7-12(15(26-27)16(19)20)24-17(28)9-8-29-18-14(9)25-13(6-22-18)23-11-5-3-2-4-10(11)21;3-2(4,5)1(6)7/h6-8,10-11,16H,2-5,21H2,1H3,(H,23,25)(H,24,28);(H,6,7)/t10-,11+;/s2
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Merck Sharp & Dohme Corp

US Patent


Assay Description
The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...


US Patent US10040802 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278845
PNG
(2[(3R)-3- aminopiperidin-1-yl] N-[3-(difluoromethy...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCC[C@@H](N)C2)c(n1)C(F)F
Show InChI InChI=1/C17H19F2N7OS.C2HF3O2/c1-25-7-11(14(24-25)15(18)19)22-16(27)10-8-28-17-13(10)23-12(5-21-17)26-4-2-3-9(20)6-26;3-2(4,5)1(6)7/h5,7-9,15H,2-4,6,20H2,1H3,(H,22,27);(H,6,7)/t9-;/s2
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Merck Sharp & Dohme Corp

US Patent


Assay Description
The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...


US Patent US10040802 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278744
PNG
(2-[(3R)- or (3S)-azepan- 3-ylamino]-N-[3- (difluor...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCCNC4)nn23)c(n1)C(F)F
Show InChI InChI=1/C19H23F2N7O.C2HF3O2/c1-27-11-14(17(26-27)18(20)21)24-19(29)15-7-5-13-6-8-16(25-28(13)15)23-12-4-2-3-9-22-10-12;3-2(4,5)1(6)7/h5-8,11-12,18,22H,2-4,9-10H2,1H3,(H,23,25)(H,24,29);(H,6,7)/t12-;/s2
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Merck Sharp & Dohme Corp

US Patent


Assay Description
The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...


US Patent US10040798 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2F191Q7
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50130661
PNG
(CHEMBL3634510 | US10329294, Example 162)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCCNC4)nc23)c(n1)C(F)F
Show InChI InChI=1/C18H22F2N8O/c1-27-10-13(15(26-27)16(19)20)24-18(29)12-9-22-28-7-5-14(25-17(12)28)23-11-4-2-3-6-21-8-11/h5,7,9-11,16,21H,2-4,6,8H2,1H3,(H,23,25)(H,24,29)/t11-/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 5384-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.028
BindingDB Entry DOI: 10.7270/Q2WS8W3R
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50130681
PNG
(CHEMBL3634383)
Show SMILES Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)F
Show InChI InChI=1/C18H21F2N7OS/c1-27-7-12(15(26-27)16(19)20)24-17(28)9-8-29-18-14(9)25-13(6-22-18)23-11-5-3-2-4-10(11)21/h6-8,10-11,16H,2-5,21H2,1H3,(H,23,25)(H,24,28)/t10-,11+/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 5384-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.028
BindingDB Entry DOI: 10.7270/Q2WS8W3R
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50095475
PNG
(CHEMBL3590479)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)F
Show InChI InChI=1/C18H22F2N8O/c1-27-9-13(15(26-27)16(19)20)24-18(29)10-8-22-28-7-6-14(25-17(10)28)23-12-5-3-2-4-11(12)21/h6-9,11-12,16H,2-5,21H2,1H3,(H,23,25)(H,24,29)/t11-,12+/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 5384-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.028
BindingDB Entry DOI: 10.7270/Q2WS8W3R
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50095475
PNG
(CHEMBL3590479)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)F
Show InChI InChI=1/C18H22F2N8O/c1-27-9-13(15(26-27)16(19)20)24-18(29)10-8-22-28-7-6-14(25-17(10)28)23-12-5-3-2-4-11(12)21/h6-9,11-12,16H,2-5,21H2,1H3,(H,23,25)(H,24,29)/t11-,12+/s2
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Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human IRAK4 assessed as phosphorylation of fluorescent peptide substrate after 30 mins by fluorescent polarization reader


ACS Med Chem Lett 6: 683-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00107
BindingDB Entry DOI: 10.7270/Q2QF8VNH
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM403035
PNG
(US10329302, Example 183)
Show SMILES CC(C)Oc1cc2c(OC[C@H]3NC(=O)C(F)(F)[C@H]3C)nccc2cc1C(N)=O
Show InChI InChI=1S/C19H21F2N3O4/c1-9(2)28-15-7-12-11(6-13(15)16(22)25)4-5-23-17(12)27-8-14-10(3)19(20,21)18(26)24-14/h4-7,9-10,14H,8H2,1-3H3,(H2,22,25)(H,24,26)/t10-,14+/m0/s1
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Pfizer Inc

US Patent


Assay Description
This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...


US Patent US10329302 (2019)

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


(Homo sapiens (Human))
BDBM402999
PNG
(US10329302, Example 146)
Show SMILES COc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)nccc2cc1C(N)=O
Show InChI InChI=1S/C16H15F2N3O4/c1-24-12-5-10-8(4-11(12)13(19)22)2-3-20-14(10)25-7-9-6-16(17,18)15(23)21-9/h2-5,9H,6-7H2,1H3,(H2,19,22)(H,21,23)/t9-/m0/s1
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Pfizer Inc

US Patent


Assay Description
This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...


US Patent US10329302 (2019)

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


(Homo sapiens (Human))
BDBM403189
PNG
(US10329302, Example 345)
Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)C1(F)F
Show InChI InChI=1S/C18H19F2N3O4/c1-3-12-13(23-17(25)18(12,19)20)8-27-16-10-7-14(26-2)11(15(21)24)6-9(10)4-5-22-16/h4-7,12-13H,3,8H2,1-2H3,(H2,21,24)(H,23,25)/t12-,13+/m0/s1
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Pfizer Inc

US Patent


Assay Description
This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...


US Patent US10329302 (2019)

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


(Homo sapiens (Human))
BDBM50239499
PNG
(CHEMBL4081711 | US10329302, Example 344)
Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F
Show InChI InChI=1/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/s2
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Pfizer Inc

US Patent


Assay Description
This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...


US Patent US10329302 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50239499
PNG
(CHEMBL4081711 | US10329302, Example 344)
Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F
Show InChI InChI=1/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/s2
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Pfizer Inc

US Patent


Assay Description
This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...


US Patent US10329302 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM403169
PNG
(US10329302, Example 323)
Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@]4(F)[C@@H](C)[C@H]34)ccnc2cc1C(N)=O
Show InChI InChI=1S/C18H18FN3O4/c1-8-15-12(22-17(24)18(8,15)19)7-26-13-3-4-21-11-5-10(16(20)23)14(25-2)6-9(11)13/h3-6,8,12,15H,7H2,1-2H3,(H2,20,23)(H,22,24)/t8-,12+,15+,18-/m0/s1
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Pfizer Inc

US Patent


Assay Description
This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...


US Patent US10329302 (2019)

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


(Homo sapiens (Human))
BDBM50239499
PNG
(CHEMBL4081711 | US10329302, Example 344)
Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F
Show InChI InChI=1/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/s2
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Pfizer Inc

US Patent


Assay Description
This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...


US Patent US10329302 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50040872
PNG
(CHEMBL3353189)
Show SMILES Cl.Cn1cc(NC(=O)c2coc(n2)-c2ccnc(NCC(F)(F)F)c2)c(n1)C(N)=O
Show InChI InChI=1S/C16H14F3N7O3.ClH/c1-26-5-9(12(25-26)13(20)27)23-14(28)10-6-29-15(24-10)8-2-3-21-11(4-8)22-7-16(17,18)19;/h2-6H,7H2,1H3,(H2,20,27)(H,21,22)(H,23,28);1H
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n/an/a 0.240n/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
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM402564
PNG
(5-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(3-bromo-...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(Br)n1
Show InChI InChI=1S/C17H21BrN8O/c1-25-9-13(15(18)24-25)22-17(27)10-8-20-26-7-6-14(23-16(10)26)21-12-5-3-2-4-11(12)19/h6-9,11-12H,2-5,19H2,1H3,(H,21,23)(H,22,27)/t11-,12+/m0/s1
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Merck Sharp & Dohme Corp

US Patent


Assay Description
The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM278856
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(3-chloro...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(Cl)n1
Show InChI InChI=1/C17H20ClN7OS.C2HF3O2/c1-25-7-12(15(18)24-25)22-16(26)9-8-27-17-14(9)23-13(6-20-17)21-11-5-3-2-4-10(11)19;3-2(4,5)1(6)7/h6-8,10-11H,2-5,19H2,1H3,(H,21,23)(H,22,26);(H,6,7)/t10-,11+;/s2
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Merck Sharp & Dohme Corp

US Patent


Assay Description
The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...


US Patent US10040802 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM403177
PNG
(US10329302, Example 333)
Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H]4[C@@H](CF)[C@H]34)ccnc2cc1C(N)=O
Show InChI InChI=1S/C18H18FN3O4/c1-25-14-5-8-11(4-9(14)17(20)23)21-3-2-13(8)26-7-12-15-10(6-19)16(15)18(24)22-12/h2-5,10,12,15-16H,6-7H2,1H3,(H2,20,23)(H,22,24)/t10-,12+,15+,16+/m0/s1
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Pfizer Inc

US Patent


Assay Description
This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...


US Patent US10329302 (2019)

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


(Homo sapiens (Human))
BDBM403180
PNG
(US10329302, Example 336)
Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@H]4[C@@H]3[C@@]4(C)F)nccc2cc1C(N)=O
Show InChI InChI=1S/C18H18FN3O4/c1-18(19)13-11(22-16(24)14(13)18)7-26-17-9-6-12(25-2)10(15(20)23)5-8(9)3-4-21-17/h3-6,11,13-14H,7H2,1-2H3,(H2,20,23)(H,22,24)/t11-,13-,14-,18-/m1/s1
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Pfizer Inc

US Patent


Assay Description
This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...


US Patent US10329302 (2019)

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


(Homo sapiens (Human))
BDBM319574
PNG
(4-(((2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-...)
Show SMILES CC[C@H]1[C@@H](COc2cncc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F
Show InChI InChI=1/C18H20FN3O4/c1-3-10-13(22-18(24)16(10)19)8-26-15-7-21-6-9-4-12(17(20)23)14(25-2)5-11(9)15/h4-7,10,13,16H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,16-/s2
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Pfizer Inc

US Patent


Assay Description
This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...


US Patent US10174000 (2019)


Article DOI: 10.1016/j.bmcl.2005.11.052
BindingDB Entry DOI: 10.7270/Q27S7QWQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM403185
PNG
(US10329302, Example 341)
Show SMILES CC[C@H]1[C@@H](COc2ncnc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F
Show InChI InChI=1S/C17H19FN4O4/c1-3-8-12(22-16(24)14(8)18)6-26-17-9-5-13(25-2)10(15(19)23)4-11(9)20-7-21-17/h4-5,7-8,12,14H,3,6H2,1-2H3,(H2,19,23)(H,22,24)/t8-,12+,14-/m0/s1
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Pfizer Inc

US Patent


Assay Description
This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...


US Patent US10329302 (2019)

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


(Homo sapiens (Human))
BDBM50130668
PNG
(CHEMBL3634613)
Show SMILES Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(Cl)n1
Show InChI InChI=1/C17H20ClN7OS/c1-25-7-12(15(18)24-25)22-16(26)9-8-27-17-14(9)23-13(6-20-17)21-11-5-3-2-4-10(11)19/h6-8,10-11H,2-5,19H2,1H3,(H,21,23)(H,22,26)/t10-,11+/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 5384-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.028
BindingDB Entry DOI: 10.7270/Q2WS8W3R
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM403212
PNG
(US10329302, Example 368)
Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C3CC3)nccc2cc1C(N)=O
Show InChI InChI=1S/C19H20FN3O4/c1-26-14-7-11-10(6-12(14)17(21)24)4-5-22-19(11)27-8-13-15(9-2-3-9)16(20)18(25)23-13/h4-7,9,13,15-16H,2-3,8H2,1H3,(H2,21,24)(H,23,25)/t13-,15+,16+/m1/s1
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Pfizer Inc

US Patent


Assay Description
This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...


US Patent US10329302 (2019)

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


(Homo sapiens (Human))
BDBM50239498
PNG
(CHEMBL4093120 | US10329302, Example 189)
Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C)nccc2cc1C(N)=O
Show InChI InChI=1/C17H18FN3O4/c1-8-12(21-16(23)14(8)18)7-25-17-10-6-13(24-2)11(15(19)22)5-9(10)3-4-20-17/h3-6,8,12,14H,7H2,1-2H3,(H2,19,22)(H,21,23)/t8-,12+,14-/s2
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Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ...


J Med Chem 60: 5521-5542 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00231
BindingDB Entry DOI: 10.7270/Q26D5W42
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM403219
PNG
(US10329302, Example 375)
Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@H](F)[C@H]3CF)nccc2cc1C(N)=O
Show InChI InChI=1S/C17H17F2N3O4/c1-25-13-5-9-8(4-10(13)15(20)23)2-3-21-17(9)26-7-12-11(6-18)14(19)16(24)22-12/h2-5,11-12,14H,6-7H2,1H3,(H2,20,23)(H,22,24)/t11-,12+,14+/m0/s1
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Pfizer Inc

US Patent


Assay Description
This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...


US Patent US10329302 (2019)

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


(Homo sapiens (Human))
BDBM402981
PNG
(US10329302, Example 128)
Show SMILES CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)nccc2cc1C(N)=O
Show InChI InChI=1S/C18H19F2N3O4/c1-9(2)27-14-6-12-10(5-13(14)15(21)24)3-4-22-16(12)26-8-11-7-18(19,20)17(25)23-11/h3-6,9,11H,7-8H2,1-2H3,(H2,21,24)(H,23,25)/t11-/m0/s1
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Pfizer Inc

US Patent


Assay Description
This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...


US Patent US10329302 (2019)

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


(Homo sapiens (Human))
BDBM50095474
PNG
(CHEMBL3590478 | US10329294, Example 2)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)(F)F
Show InChI InChI=1/C18H21F3N8O/c1-28-9-13(15(27-28)18(19,20)21)25-17(30)10-8-23-29-7-6-14(26-16(10)29)24-12-5-3-2-4-11(12)22/h6-9,11-12H,2-5,22H2,1H3,(H,24,26)(H,25,30)/t11-,12+/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 5384-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.028
BindingDB Entry DOI: 10.7270/Q2WS8W3R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278745
PNG
(2-[(3R)- or (3S)-azepan- 3-ylamino]-N-[3- (difluor...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(N[C@H]4CCCCNC4)nn23)c(n1)C(F)F
Show InChI InChI=1/C19H23F2N7O.C2HF3O2/c1-27-11-14(17(26-27)18(20)21)24-19(29)15-7-5-13-6-8-16(25-28(13)15)23-12-4-2-3-9-22-10-12;3-2(4,5)1(6)7/h5-8,11-12,18,22H,2-4,9-10H2,1H3,(H,23,25)(H,24,29);(H,6,7)/t12-;/s2
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Merck Sharp & Dohme Corp

US Patent


Assay Description
The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...


US Patent US10040798 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2F191Q7
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50095474
PNG
(CHEMBL3590478 | US10329294, Example 2)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)(F)F
Show InChI InChI=1/C18H21F3N8O/c1-28-9-13(15(27-28)18(19,20)21)25-17(30)10-8-23-29-7-6-14(26-16(10)29)24-12-5-3-2-4-11(12)22/h6-9,11-12H,2-5,22H2,1H3,(H,24,26)(H,25,30)/t11-,12+/s2
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Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human IRAK4 assessed as phosphorylation of fluorescent peptide substrate after 30 mins by fluorescent polarization reader


ACS Med Chem Lett 6: 683-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00107
BindingDB Entry DOI: 10.7270/Q2QF8VNH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50095470
PNG
(CHEMBL3590474 | US10155765, Example 9)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(N)=O
Show InChI InChI=1/C18H23N9O2/c1-26-9-13(15(25-26)16(20)28)23-18(29)10-8-21-27-7-6-14(24-17(10)27)22-12-5-3-2-4-11(12)19/h6-9,11-12H,2-5,19H2,1H3,(H2,20,28)(H,22,24)(H,23,29)/t11-,12+/s2
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Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human IRAK4 assessed as phosphorylation of fluorescent peptide substrate after 30 mins by fluorescent polarization reader


ACS Med Chem Lett 6: 683-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00107
BindingDB Entry DOI: 10.7270/Q2QF8VNH
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM403080
PNG
(US10329302, Example 233)
Show SMILES COc1cc2c(OC[C@@H]3COC(=O)N3)cccc2cc1C(N)=O
Show InChI InChI=1S/C16H16N2O5/c1-21-14-6-11-9(5-12(14)15(17)19)3-2-4-13(11)22-7-10-8-23-16(20)18-10/h2-6,10H,7-8H2,1H3,(H2,17,19)(H,18,20)/t10-/m1/s1
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Pfizer Inc

US Patent


Assay Description
This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...


US Patent US10329302 (2019)

More data for this
Ligand-Target Pair
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