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Compile Data Set for Download or QSAR

Found 36 hits of ki 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))
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=1/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+/s2
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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))
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))
BDBM50040806
PNG
(CHEMBL3361254)
Show SMILES NC(=O)C[C@H]1CCc2sc3ncnc(O[C@H]4CC[C@@H](CC4)N4CCOCC4)c3c12
Show InChI InChI=1/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-/s2
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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))
BDBM50355469
PNG
(CHEMBL1835744)
Show SMILES Nc1nc(Nc2ccccc2Cl)nn1-c1ccc(cn1)C#N
Show InChI InChI=1S/C14H10ClN7/c15-10-3-1-2-4-11(10)19-14-20-13(17)22(21-14)12-6-5-9(7-16)8-18-12/h1-6,8H,(H3,17,19,20,21)
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36n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 by spectrophotometry


J Med Chem 54: 7184-92 (2011)


Article DOI: 10.1021/jm200712h
BindingDB Entry DOI: 10.7270/Q2DZ08QQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50355464
PNG
(CHEMBL1835740)
Show SMILES COc1ccc(Nc2nc(N)n(n2)-c2ccccn2)cc1OC
Show InChI InChI=1S/C15H16N6O2/c1-22-11-7-6-10(9-12(11)23-2)18-15-19-14(16)21(20-15)13-5-3-4-8-17-13/h3-9H,1-2H3,(H3,16,18,19,20)
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43n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 by spectrophotometry


J Med Chem 54: 7184-92 (2011)


Article DOI: 10.1021/jm200712h
BindingDB Entry DOI: 10.7270/Q2DZ08QQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50040807
PNG
(CHEMBL3361252)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2sc3CCCc3c12
Show InChI InChI=1/C17H24N4S/c1-21(2)12-8-6-11(7-9-12)20-16-15-13-4-3-5-14(13)22-17(15)19-10-18-16/h10-12H,3-9H2,1-2H3,(H,18,19,20)/t11-,12-
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50n/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))
BDBM50355479
PNG
(CHEMBL1835746)
Show SMILES COc1ccccc1Nc1nc(N)n(n1)-c1cc(NCCN(C)C)ncn1
Show InChI InChI=1S/C17H23N9O/c1-25(2)9-8-19-14-10-15(21-11-20-14)26-16(18)23-17(24-26)22-12-6-4-5-7-13(12)27-3/h4-7,10-11H,8-9H2,1-3H3,(H,19,20,21)(H3,18,22,23,24)
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78n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 by spectrophotometry


J Med Chem 54: 7184-92 (2011)


Article DOI: 10.1021/jm200712h
BindingDB Entry DOI: 10.7270/Q2DZ08QQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50355467
PNG
(CHEMBL1833992)
Show SMILES COc1ccc(cc1Nc1nc(N)n(n1)-c1ccccn1)N1CCOCC1
Show InChI InChI=1S/C18H21N7O2/c1-26-15-6-5-13(24-8-10-27-11-9-24)12-14(15)21-18-22-17(19)25(23-18)16-4-2-3-7-20-16/h2-7,12H,8-11H2,1H3,(H3,19,21,22,23)
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160n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 by spectrophotometry


J Med Chem 54: 7184-92 (2011)


Article DOI: 10.1021/jm200712h
BindingDB Entry DOI: 10.7270/Q2DZ08QQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50355470
PNG
(CHEMBL1835745)
Show SMILES COc1cc(ccc1Nc1nc(N)n(n1)-c1ccc(cn1)C#N)N1CCOCC1
Show InChI InChI=1S/C19H20N8O2/c1-28-16-10-14(26-6-8-29-9-7-26)3-4-15(16)23-19-24-18(21)27(25-19)17-5-2-13(11-20)12-22-17/h2-5,10,12H,6-9H2,1H3,(H3,21,23,24,25)
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340n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 by spectrophotometry


J Med Chem 54: 7184-92 (2011)


Article DOI: 10.1021/jm200712h
BindingDB Entry DOI: 10.7270/Q2DZ08QQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50355465
PNG
(CHEMBL1835741)
Show SMILES COc1ccccc1Nc1nc(N)n(n1)-c1ccccn1
Show InChI InChI=1S/C14H14N6O/c1-21-11-7-3-2-6-10(11)17-14-18-13(15)20(19-14)12-8-4-5-9-16-12/h2-9H,1H3,(H3,15,17,18,19)
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420n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 by spectrophotometry


J Med Chem 54: 7184-92 (2011)


Article DOI: 10.1021/jm200712h
BindingDB Entry DOI: 10.7270/Q2DZ08QQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50355468
PNG
(CHEMBL1835743)
Show SMILES Nc1nc(Nc2cc(ccc2F)N2CCOCC2)nn1-c1ccccn1
Show InChI InChI=1S/C17H18FN7O/c18-13-5-4-12(24-7-9-26-10-8-24)11-14(13)21-17-22-16(19)25(23-17)15-3-1-2-6-20-15/h1-6,11H,7-10H2,(H3,19,21,22,23)
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440n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 by spectrophotometry


J Med Chem 54: 7184-92 (2011)


Article DOI: 10.1021/jm200712h
BindingDB Entry DOI: 10.7270/Q2DZ08QQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50313050
PNG
((Z)-3-(4-methoxyphenyl)-4-(2-(3-methoxyphenyl)hydr...)
Show SMILES COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1cccc(OC)c1
Show InChI InChI=1S/C17H16N4O3/c1-23-13-8-6-11(7-9-13)15-16(17(22)21-19-15)20-18-12-4-3-5-14(10-12)24-2/h3-10H,1-2H3,(H2,19,21,22)/b20-18+
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690n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1
Show InChI InChI=1/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
BindingDB Entry DOI: 10.7270/Q2KH0NPW
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50313061
PNG
((Z)-3-(4-methoxypyridin-3-yl)-4-(2-phenylhydrazono...)
Show SMILES COc1ccncc1-c1[nH][nH]c(=O)c1N=Nc1ccccc1
Show InChI InChI=1S/C15H13N5O2/c1-22-12-7-8-16-9-11(12)13-14(15(21)20-18-13)19-17-10-5-3-2-4-6-10/h2-9H,1H3,(H2,18,20,21)/b19-17+
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1.10E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50355466
PNG
(CHEMBL1835742)
Show SMILES Nc1nc(Nc2ccccc2Cl)nn1-c1ccccn1
Show InChI InChI=1S/C13H11ClN6/c14-9-5-1-2-6-10(9)17-13-18-12(15)20(19-13)11-7-3-4-8-16-11/h1-8H,(H3,15,17,18,19)
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1.20E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 by spectrophotometry


J Med Chem 54: 7184-92 (2011)


Article DOI: 10.1021/jm200712h
BindingDB Entry DOI: 10.7270/Q2DZ08QQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50313051
PNG
((Z)-3-(4-methoxyphenyl)-4-(2-(pyridin-3-yl)hydrazo...)
Show SMILES COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1cccnc1
Show InChI InChI=1S/C15H13N5O2/c1-22-12-6-4-10(5-7-12)13-14(15(21)20-18-13)19-17-11-3-2-8-16-9-11/h2-9H,1H3,(H2,18,20,21)/b19-17+
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1.50E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50258424
PNG
(CHEMBL494221 | trans-4-(3-(3-(trifluoromethyl)phen...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1
Show InChI InChI=1/C18H18F3N5O/c19-18(20,21)12-3-1-2-11(10-12)17-24-23-16-9-8-15(25-26(16)17)22-13-4-6-14(27)7-5-13/h1-3,8-10,13-14,27H,4-7H2,(H,22,25)/t13-,14-
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2.30E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
BindingDB Entry DOI: 10.7270/Q21J99PJ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50067533
PNG
(CHEMBL3401984)
Show SMILES OCC(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1/C21H23F2N5O2/c22-12-5-13-14(7-25-19(13)24-6-12)20-26-8-15(23)21(28-20)27-18-11-3-1-10(2-4-11)17(18)16(30)9-29/h5-8,10-11,16-18,29-30H,1-4,9H2,(H,24,25)(H,26,27,28)/t10?,11?,16?,17-,18+/s2
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2.70E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50067537
PNG
(CHEMBL3401987)
Show SMILES CC(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1/C21H23F2N5O/c1-10(29)17-11-2-4-12(5-3-11)18(17)27-21-16(23)9-26-20(28-21)15-8-25-19-14(15)6-13(22)7-24-19/h6-12,17-18,29H,2-5H2,1H3,(H,24,25)(H,26,27,28)/t10?,11?,12?,17-,18-/s2
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3.30E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50067520
PNG
(CHEMBL3401982)
Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1
Show InChI InChI=1/C21H19F2N7O2/c22-11-5-12-13(7-25-17(12)24-6-11)18-26-8-14(23)19(28-18)27-16-10-3-1-9(2-4-10)15(16)20-29-21(31)32-30-20/h5-10,15-16H,1-4H2,(H,24,25)(H,26,27,28)(H,29,30,31)/t9?,10?,15-,16-/s2
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50067518
PNG
(CHEMBL3401981)
Show SMILES Oc1cc(on1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1/C22H20F2N6O2/c23-12-5-13-14(8-26-20(13)25-7-12)21-27-9-15(24)22(29-21)28-19-11-3-1-10(2-4-11)18(19)16-6-17(31)30-32-16/h5-11,18-19H,1-4H2,(H,25,26)(H,30,31)(H,27,28,29)/t10?,11?,18-,19+/s2
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>4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50067535
PNG
(CHEMBL3401986)
Show SMILES CNC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1/C21H22F2N6O/c1-24-21(30)16-10-2-4-11(5-3-10)17(16)28-20-15(23)9-27-19(29-20)14-8-26-18-13(14)6-12(22)7-25-18/h6-11,16-17H,2-5H2,1H3,(H,24,30)(H,25,26)(H,27,28,29)/t10?,11?,16-,17-/s2
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50067514
PNG
(CHEMBL3401978)
Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4Cn4oc(=O)[nH]c4=O)n3)c2c1
Show InChI InChI=1/C22H21F2N7O3/c23-12-5-13-14(7-26-18(13)25-6-12)19-27-8-16(24)20(29-19)28-17-11-3-1-10(2-4-11)15(17)9-31-21(32)30-22(33)34-31/h5-8,10-11,15,17H,1-4,9H2,(H,25,26)(H,27,28,29)(H,30,32,33)/t10?,11?,15-,17-/s2
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50067513
PNG
(CHEMBL3401977)
Show SMILES OP(O)(=O)CC[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1/C21H24F2N5O3P/c22-13-7-15-16(9-25-19(15)24-8-13)20-26-10-17(23)21(28-20)27-18-12-3-1-11(2-4-12)14(18)5-6-32(29,30)31/h7-12,14,18H,1-6H2,(H,24,25)(H,26,27,28)(H2,29,30,31)/t11?,12?,14-,18-/s2
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50067517
PNG
(CHEMBL3401980)
Show SMILES CC(=O)NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1/C21H22F2N6O3S/c1-10(30)29-33(31,32)18-12-4-2-11(3-5-12)17(18)27-21-16(23)9-26-20(28-21)15-8-25-19-14(15)6-13(22)7-24-19/h6-9,11-12,17-18H,2-5H2,1H3,(H,24,25)(H,29,30)(H,26,27,28)/t11?,12?,17-,18-/s2
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50067515
PNG
(CHEMBL3401979)
Show SMILES Oc1cc(no1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1/C22H20F2N6O2/c23-12-5-13-14(8-26-20(13)25-7-12)21-27-9-15(24)22(29-21)28-19-11-3-1-10(2-4-11)18(19)16-6-17(31)32-30-16/h5-11,18-19,31H,1-4H2,(H,25,26)(H,27,28,29)/t10?,11?,18-,19+/s2
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50067542
PNG
(CHEMBL3401976)
Show SMILES OP(O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1/C19H20F2N5O3P/c20-11-5-12-13(7-23-17(12)22-6-11)18-24-8-14(21)19(26-18)25-15-9-1-3-10(4-2-9)16(15)30(27,28)29/h5-10,15-16H,1-4H2,(H,22,23)(H,24,25,26)(H2,27,28,29)/t9?,10?,15-,16-/s2
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50067541
PNG
(CHEMBL3401975)
Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nnn[nH]4)n3)c2c1
Show InChI InChI=1/C20H19F2N9/c21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20-28-30-31-29-20/h5-10,15-16H,1-4H2,(H,23,24)(H,25,26,27)(H,28,29,30,31)/t9?,10?,15-,16-/s2
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50258287
PNG
(CHEMBL493169 | N-(piperidin-4-yl)-3-(3-(trifluorom...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-3-1-2-11(10-12)16-24-23-15-5-4-14(25-26(15)16)22-13-6-8-21-9-7-13/h1-5,10,13,21H,6-9H2,(H,22,25)
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
BindingDB Entry DOI: 10.7270/Q21J99PJ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50067539
PNG
(CHEMBL3401989)
Show SMILES Cc1nnc(o1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1/C22H21F2N7O/c1-10-30-31-22(32-10)17-11-2-4-12(5-3-11)18(17)28-21-16(24)9-27-20(29-21)15-8-26-19-14(15)6-13(23)7-25-19/h6-9,11-12,17-18H,2-5H2,1H3,(H,25,26)(H,27,28,29)/t11?,12?,17-,18-/s2
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50067538
PNG
(CHEMBL3401988)
Show SMILES Cc1noc(n1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1/C22H21F2N7O/c1-10-28-22(32-31-10)17-11-2-4-12(5-3-11)18(17)29-21-16(24)9-27-20(30-21)15-8-26-19-14(15)6-13(23)7-25-19/h6-9,11-12,17-18H,2-5H2,1H3,(H,25,26)(H,27,29,30)/t11?,12?,17-,18-/s2
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50067540
PNG
(CHEMBL3401990)
Show SMILES CS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1/C20H21F2N5O2S/c1-30(28,29)17-11-4-2-10(3-5-11)16(17)26-20-15(22)9-25-19(27-20)14-8-24-18-13(14)6-12(21)7-23-18/h6-11,16-17H,2-5H2,1H3,(H,23,24)(H,25,26,27)/t10?,11?,16-,17-/s2
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50067534
PNG
(CHEMBL3401985)
Show SMILES Oc1cc([nH]n1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1/C22H21F2N7O/c23-12-5-13-14(8-26-20(13)25-7-12)21-27-9-15(24)22(29-21)28-19-11-3-1-10(2-4-11)18(19)16-6-17(32)31-30-16/h5-11,18-19H,1-4H2,(H,25,26)(H,27,28,29)(H2,30,31,32)/t10?,11?,18-,19+/s2
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50067531
PNG
(CHEMBL3401983)
Show SMILES NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1/C19H20F2N6O2S/c20-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(21)19(27-18)26-15-9-1-3-10(4-2-9)16(15)30(22,28)29/h5-10,15-16H,1-4H2,(H,23,24)(H2,22,28,29)(H,25,26,27)/t9?,10?,15-,16-/s2
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50402020
PNG
(CHEMBL2205426)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
Show InChI InChI=1S/C23H22N6O2/c1-23(2,3)29-19-18(20(30)21(19)31)27-17-10-13-25-22(28-17)26-16-6-4-14(5-7-16)15-8-11-24-12-9-15/h4-13,29H,1-3H3,(H2,25,26,27,28)
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>9.90E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant IRAK4 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(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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>9.92E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


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