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USPatent US9926330

Compile data set for download or QSAR
Found 55 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380580
PNG
(N'-(6-ethenylquinazolin-4-yl)-N,N- dimethylcyclohe...)
Show SMILES CN(C)C1CCC(CC1)Nc1ncnc2ccc(C=C)cc12 |(4.62,-4.67,;3.08,-4.67,;2.31,-6,;2.31,-3.33,;.77,-3.33,;,-2,;.77,-.67,;2.31,-.67,;3.08,-2,;,.67,;-1.54,.67,;-2.31,-.67,;-3.85,-.67,;-4.62,.67,;-3.85,2,;-4.62,3.33,;-3.85,4.67,;-2.31,4.67,;-1.54,6,;,6,;-1.54,3.33,;-2.31,2,)|
Show InChI InChI=1S/C18H24N4/c1-4-13-5-10-17-16(11-13)18(20-12-19-17)21-14-6-8-15(9-7-14)22(2)3/h4-5,10-12,14-15H,1,6-9H2,2-3H3,(H,19,20,21)
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n/an/a 7n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380582
PNG
(6-ethyl-N-(trans-4-morpholin-4- ylcyclohexyl)quina...)
Show SMILES CCc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:11.10,wD:14.17,(-2.27,6.04,;-3.76,5.64,;-4.16,4.16,;-5.64,3.76,;-6.04,2.27,;-4.95,1.18,;-5.35,-.31,;-4.26,-1.39,;-2.78,-1,;-2.38,.49,;-.89,.89,;.2,-.2,;1.69,.2,;2.78,-.89,;2.38,-2.38,;.89,-2.78,;-.2,-1.69,;3.47,-3.47,;3.07,-4.95,;4.16,-6.04,;5.64,-5.64,;6.04,-4.16,;4.95,-3.07,;-3.47,1.58,;-3.07,3.07,)|
Show InChI InChI=1S/C20H28N4O/c1-2-15-3-8-19-18(13-15)20(22-14-21-19)23-16-4-6-17(7-5-16)24-9-11-25-12-10-24/h3,8,13-14,16-17H,2,4-7,9-12H2,1H3,(H,21,22,23)/t16-,17-
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n/an/a 8n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50242708
PNG
(CHEMBL4101649 | US9926330, 1-6)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C(F)(F)F |r,wU:6.9,wD:3.2,(32.24,-34.34,;30.91,-33.57,;30.9,-32.03,;29.57,-34.34,;28.24,-33.57,;26.9,-34.35,;26.91,-35.88,;28.25,-36.65,;29.57,-35.88,;25.58,-36.66,;25.59,-38.2,;26.93,-38.96,;26.94,-40.5,;25.6,-41.28,;24.27,-40.51,;22.94,-41.29,;21.6,-40.52,;21.6,-38.98,;22.93,-38.2,;24.27,-38.97,;20.27,-38.21,;20.27,-36.67,;18.94,-38.98,;18.93,-37.44,)|
Show InChI InChI=1S/C17H21F3N4/c1-24(2)13-6-4-12(5-7-13)23-16-14-9-11(17(18,19)20)3-8-15(14)21-10-22-16/h3,8-10,12-13H,4-7H2,1-2H3,(H,21,22,23)/t12-,13-
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n/an/a 9n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380589
PNG
(3-{4-[(trans-4- morpholin-4- ylcyclohexyl)amino]- ...)
Show SMILES OCCCc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:13.12,wD:16.19,(1.93,7.34,;.38,7.34,;-.38,6,;-1.93,6,;-2.7,4.67,;-4.23,4.67,;-5.01,3.33,;-4.23,2,;-5,.67,;-4.23,-.67,;-2.69,-.67,;-1.92,.67,;-.38,.67,;.38,-.67,;1.93,-.67,;2.7,-2,;1.93,-3.33,;.38,-3.33,;-.38,-2,;2.69,-4.67,;1.92,-6,;2.69,-7.34,;4.23,-7.34,;5.01,-6,;4.23,-4.67,;-2.69,2,;-1.93,3.33,)|
Show InChI InChI=1S/C21H30N4O2/c26-11-1-2-16-3-8-20-19(14-16)21(23-15-22-20)24-17-4-6-18(7-5-17)25-9-12-27-13-10-25/h3,8,14-15,17-18,26H,1-2,4-7,9-13H2,(H,22,23,24)/t17-,18-
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n/an/a 10n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380587
PNG
(N-(trans-4-morpholin-4- ylcyclohexyl)-6- propylqui...)
Show SMILES CCCc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:12.11,wD:15.18,(.38,7.34,;-.38,6,;-1.93,6,;-2.7,4.67,;-4.23,4.67,;-5.01,3.33,;-4.23,2,;-5,.67,;-4.23,-.67,;-2.69,-.67,;-1.92,.67,;-.38,.67,;.38,-.67,;1.93,-.67,;2.7,-2,;1.93,-3.33,;.38,-3.33,;-.38,-2,;2.69,-4.67,;1.92,-6,;2.69,-7.34,;4.23,-7.34,;5.01,-6,;4.23,-4.67,;-2.69,2,;-1.93,3.33,)|
Show InChI InChI=1S/C21H30N4O/c1-2-3-16-4-9-20-19(14-16)21(23-15-22-20)24-17-5-7-18(8-6-17)25-10-12-26-13-11-25/h4,9,14-15,17-18H,2-3,5-8,10-13H2,1H3,(H,22,23,24)/t17-,18-
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n/an/a 11n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380543
PNG
(6-methyl-N-(trans-4-morpholin-4- ylcyclohexyl)quin...)
Show SMILES Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:10.9,wD:13.16,(.38,7.24,;-.7,6.15,;-2.19,6.55,;-3.28,5.46,;-2.88,3.97,;-3.97,2.88,;-3.57,1.39,;-2.09,1,;-1,2.09,;.49,1.69,;.89,.2,;2.38,-.2,;2.78,-1.69,;1.69,-2.78,;.2,-2.38,;-.2,-.89,;2.09,-4.26,;1,-5.35,;1.39,-6.84,;2.88,-7.24,;3.97,-6.15,;3.57,-4.66,;-1.39,3.57,;-.31,4.66,)|
Show InChI InChI=1S/C19H26N4O/c1-14-2-7-18-17(12-14)19(21-13-20-18)22-15-3-5-16(6-4-15)23-8-10-24-11-9-23/h2,7,12-13,15-16H,3-6,8-11H2,1H3,(H,20,21,22)/t15-,16-
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n/an/a 12n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380544
PNG
(N-(trans-4-morpholin-4-ylcyclohexyl)- 6-(trifluoro...)
Show SMILES FC(F)(F)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:13.12,wD:16.19,(-4.85,6.19,;-3.76,5.1,;-2.27,5.5,;-3.36,6.59,;-4.16,3.61,;-5.64,3.21,;-6.04,1.73,;-4.95,.64,;-5.35,-.85,;-4.26,-1.94,;-2.78,-1.54,;-2.38,-.05,;-.89,.35,;.2,-.74,;1.69,-.35,;2.78,-1.43,;2.38,-2.92,;.89,-3.32,;-.2,-2.23,;3.47,-4.01,;3.07,-5.5,;4.16,-6.59,;5.64,-6.19,;6.04,-4.7,;4.95,-3.61,;-3.47,1.04,;-3.07,2.52,)|
Show InChI InChI=1S/C19H23F3N4O/c20-19(21,22)13-1-6-17-16(11-13)18(24-12-23-17)25-14-2-4-15(5-3-14)26-7-9-27-10-8-26/h1,6,11-12,14-15H,2-5,7-10H2,(H,23,24,25)/t14-,15-
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n/an/a 15n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380585
PNG
(N,N-dimethyl-N'-[6-(1- methylethyl)quinazolin-4- y...)
Show SMILES CC(C)c1ccc2ncnc(NC3CCC(CC3)N(C)C)c2c1 |(-2.31,6.67,;-1.54,5.33,;,5.33,;-2.31,4,;-3.85,4,;-4.62,2.67,;-3.85,1.33,;-4.62,,;-3.85,-1.33,;-2.31,-1.33,;-1.54,,;;.77,-1.33,;,-2.67,;.77,-4,;2.31,-4,;3.08,-2.67,;2.31,-1.33,;3.08,-5.33,;4.62,-5.33,;2.31,-6.67,;-2.31,1.33,;-1.54,2.67,)|
Show InChI InChI=1S/C19H28N4/c1-13(2)14-5-10-18-17(11-14)19(21-12-20-18)22-15-6-8-16(9-7-15)23(3)4/h5,10-13,15-16H,6-9H2,1-4H3,(H,20,21,22)
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n/an/a 16n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380588
PNG
(2-(4-(((trans)-4-(dimethylamino)cyclohexyl)amino)q...)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(CCO)cc12 |r,wU:6.9,wD:3.2,(-2.67,-9.24,;-2.67,-7.7,;-4,-6.93,;-1.33,-6.93,;,-7.7,;1.33,-6.93,;1.33,-5.39,;,-4.62,;-1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;8,-3.08,;8,-4.62,;9.34,-5.39,;5.33,-3.08,;4,-2.31,)|
Show InChI InChI=1S/C18H26N4O/c1-22(2)15-6-4-14(5-7-15)21-18-16-11-13(9-10-23)3-8-17(16)19-12-20-18/h3,8,11-12,14-15,23H,4-7,9-10H2,1-2H3,(H,19,20,21)/t14-,15-
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n/an/a 17n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380560
PNG
(6-methyl-N-{4- [3- (trifluoromethyl)- piperidin-1-...)
Show SMILES Cc1ccc2ncnc(NC3CCC(CC3)N3CCCC(C3)C(F)(F)F)c2c1 |(-3.47,6.67,;-4.24,5.33,;-5.78,5.33,;-6.55,4,;-5.78,2.67,;-6.54,1.33,;-5.78,,;-4.23,,;-3.46,1.33,;-1.93,1.33,;-1.15,,;-1.93,-1.33,;-1.15,-2.67,;.38,-2.67,;1.16,-1.33,;.38,,;1.15,-4,;.38,-5.33,;1.15,-6.67,;2.69,-6.67,;3.47,-5.33,;2.69,-4,;5.01,-5.33,;5.78,-6.67,;5.78,-4,;6.55,-5.33,;-4.23,2.67,;-3.47,4,)|
Show InChI InChI=1S/C21H27F3N4/c1-14-4-9-19-18(11-14)20(26-13-25-19)27-16-5-7-17(8-6-16)28-10-2-3-15(12-28)21(22,23)24/h4,9,11,13,15-17H,2-3,5-8,10,12H2,1H3,(H,25,26,27)
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n/an/a 17n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50242730
PNG
(CHEMBL4072093 | US9926330, 4-1)
Show SMILES CCc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:11.10,wD:14.17,(36.06,-7.59,;36.07,-9.13,;37.4,-9.9,;37.4,-11.45,;38.73,-12.22,;40.06,-11.44,;41.4,-12.2,;42.73,-11.43,;42.73,-9.88,;41.39,-9.12,;41.38,-7.58,;42.71,-6.8,;42.7,-5.27,;44.03,-4.5,;45.37,-5.26,;45.37,-6.81,;44.05,-7.58,;46.7,-4.49,;48.04,-5.26,;46.7,-2.95,;40.06,-9.89,;38.73,-9.13,)|
Show InChI InChI=1S/C18H26N4/c1-4-13-5-10-17-16(11-13)18(20-12-19-17)21-14-6-8-15(9-7-14)22(2)3/h5,10-12,14-15H,4,6-9H2,1-3H3,(H,19,20,21)/t14-,15-
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n/an/a 18n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50242725
PNG
(CHEMBL4097259 | US9926330, 1-2)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(C)cc12 |r,wU:6.9,wD:3.2,(15.3,-18.44,;13.96,-17.67,;13.96,-16.13,;12.63,-18.44,;11.3,-17.67,;9.96,-18.45,;9.97,-19.98,;11.31,-20.75,;12.63,-19.98,;8.64,-20.76,;8.65,-22.3,;9.99,-23.06,;10,-24.6,;8.66,-25.38,;7.33,-24.61,;5.99,-25.39,;4.66,-24.62,;4.66,-23.08,;3.33,-22.31,;5.99,-22.31,;7.33,-23.07,)|
Show InChI InChI=1S/C17H24N4/c1-12-4-9-16-15(10-12)17(19-11-18-16)20-13-5-7-14(8-6-13)21(2)3/h4,9-11,13-14H,5-8H2,1-3H3,(H,18,19,20)/t13-,14-
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n/an/a 19n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380575
PNG
(US9926330, 2-28 | trans-N-(6- methylquinazolin-4-y...)
Show SMILES Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)NCCC(F)(F)F)c2c1 |r,wU:13.16,wD:10.9,(-3.46,6.67,;-4.23,5.33,;-5.77,5.33,;-6.54,4,;-5.77,2.67,;-6.54,1.33,;-5.77,,;-4.23,,;-3.46,1.33,;-1.92,1.33,;-1.15,,;-1.92,-1.33,;-1.15,-2.67,;.39,-2.67,;1.16,-1.33,;.39,,;1.15,-4,;2.69,-4,;3.47,-5.33,;5,-5.33,;5.78,-6.67,;5.78,-4,;6.54,-5.33,;-4.23,2.67,;-3.46,4,)|
Show InChI InChI=1S/C18H23F3N4/c1-12-2-7-16-15(10-12)17(24-11-23-16)25-14-5-3-13(4-6-14)22-9-8-18(19,20)21/h2,7,10-11,13-14,22H,3-6,8-9H2,1H3,(H,23,24,25)/t13-,14-
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US Patent
n/an/a 25n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380591
PNG
(1-(4-{[trans-4- (dimethylamino)cyclo- hexyl]amino}...)
Show SMILES CC(O)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:15.18,wD:12.11,(-2.31,6.67,;-1.54,5.33,;,5.33,;-2.31,4,;-3.85,4,;-4.62,2.67,;-3.85,1.33,;-4.62,,;-3.85,-1.33,;-2.31,-1.33,;-1.54,,;;.77,-1.33,;,-2.67,;.77,-4,;2.31,-4,;3.08,-2.67,;2.31,-1.33,;3.08,-5.33,;2.31,-6.67,;4.62,-5.33,;-2.31,1.33,;-1.54,2.67,)|
Show InChI InChI=1S/C18H26N4O/c1-12(23)13-4-9-17-16(10-13)18(20-11-19-17)21-14-5-7-15(8-6-14)22(2)3/h4,9-12,14-15,23H,5-8H2,1-3H3,(H,19,20,21)/t12?,14-,15-
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n/an/a 29n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380595
PNG
((4-(((trans)-4-(dimethylamino)cyclohexyl)amino)qui...)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(CO)cc12 |r,wU:6.9,wD:3.2,(-2.67,-9.24,;-2.67,-7.7,;-4,-6.93,;-1.33,-6.93,;,-7.7,;1.33,-6.93,;1.33,-5.39,;,-4.62,;-1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;8,-3.08,;9.34,-2.31,;5.33,-3.08,;4,-2.31,)|
Show InChI InChI=1S/C17H24N4O/c1-21(2)14-6-4-13(5-7-14)20-17-15-9-12(10-22)3-8-16(15)18-11-19-17/h3,8-9,11,13-14,22H,4-7,10H2,1-2H3,(H,18,19,20)/t13-,14-
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n/an/a 29n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380572
PNG
(US9926330, 2-25 | trans-N- (cyclopropylmethyl)-N'-...)
Show SMILES Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)NCC3CC3)c2c1 |r,wU:13.16,wD:10.9,(-2.59,6.77,;-3.36,5.44,;-4.9,5.44,;-5.67,4.1,;-4.9,2.77,;-5.67,1.44,;-4.9,.1,;-3.36,.1,;-2.59,1.44,;-1.05,1.44,;-.28,.1,;-1.05,-1.23,;-.28,-2.56,;1.26,-2.56,;2.03,-1.23,;1.26,.1,;2.03,-3.9,;3.57,-3.9,;4.34,-5.23,;4.34,-6.77,;5.67,-6,;-3.36,2.77,;-2.59,4.1,)|
Show InChI InChI=1S/C19H26N4/c1-13-2-9-18-17(10-13)19(22-12-21-18)23-16-7-5-15(6-8-16)20-11-14-3-4-14/h2,9-10,12,14-16,20H,3-8,11H2,1H3,(H,21,22,23)/t15-,16-
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n/an/a 31n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380545
PNG
(7-fluoro-6-methyl-N-(trans-4- morpholin-4-ylcycloh...)
Show SMILES Cc1cc2c(N[C@H]3CC[C@@H](CC3)N3CCOCC3)ncnc2cc1F |r,wU:6.5,wD:9.12,(-3.41,5.84,;-3.81,4.36,;-2.72,3.27,;-3.12,1.78,;-2.03,.69,;-.54,1.09,;.54,,;2.03,.4,;3.12,-.69,;2.72,-2.18,;1.23,-2.58,;.15,-1.49,;3.81,-3.27,;3.41,-4.75,;4.5,-5.84,;5.99,-5.44,;6.39,-3.96,;5.3,-2.87,;-2.43,-.8,;-3.92,-1.2,;-5.01,-.11,;-4.61,1.38,;-5.7,2.47,;-5.3,3.96,;-6.39,5.05,)|
Show InChI InChI=1S/C19H25FN4O/c1-13-10-16-18(11-17(13)20)21-12-22-19(16)23-14-2-4-15(5-3-14)24-6-8-25-9-7-24/h10-12,14-15H,2-9H2,1H3,(H,21,22,23)/t14-,15-
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n/an/a 32n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380586
PNG
(6-butyl-N-(trans-4- morpholin-4- ylcyclohexyl)quin...)
Show SMILES CCCCc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:13.12,wD:16.19,(1.93,7.34,;.38,7.34,;-.38,6,;-1.93,6,;-2.7,4.67,;-4.23,4.67,;-5.01,3.33,;-4.23,2,;-5,.67,;-4.23,-.67,;-2.69,-.67,;-1.92,.67,;-.38,.67,;.38,-.67,;1.93,-.67,;2.7,-2,;1.93,-3.33,;.38,-3.33,;-.38,-2,;2.69,-4.67,;1.92,-6,;2.69,-7.34,;4.23,-7.34,;5.01,-6,;4.23,-4.67,;-2.69,2,;-1.93,3.33,)|
Show InChI InChI=1S/C22H32N4O/c1-2-3-4-17-5-10-21-20(15-17)22(24-16-23-21)25-18-6-8-19(9-7-18)26-11-13-27-14-12-26/h5,10,15-16,18-19H,2-4,6-9,11-14H2,1H3,(H,23,24,25)/t18-,19-
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Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380554
PNG
(1-{cis-4-[(6- methylquinazolin- 4- yl)amino]cyclo-...)
Show SMILES Cc1ccc2ncnc(N[C@H]3CC[C@H](CC3)N3CC(O)C3)c2c1 |r,wD:10.9,13.16,(-1.7,6.94,;-2.47,5.61,;-4.01,5.61,;-4.78,4.28,;-4.01,2.94,;-4.78,1.61,;-4.01,.28,;-2.47,.28,;-1.7,1.61,;-.16,1.61,;.61,.28,;-.16,-1.06,;.61,-2.39,;2.15,-2.39,;2.92,-1.06,;2.15,.28,;2.92,-3.72,;2.52,-5.21,;4.01,-5.61,;4.78,-6.94,;4.41,-4.12,;-2.47,2.94,;-1.7,4.28,)|
Show InChI InChI=1S/C18H24N4O/c1-12-2-7-17-16(8-12)18(20-11-19-17)21-13-3-5-14(6-4-13)22-9-15(23)10-22/h2,7-8,11,13-15,23H,3-6,9-10H2,1H3,(H,19,20,21)/t13-,14+
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n/an/a 37n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380571
PNG
(US9926330, 2-24 | trans-N-(1-methylethyl)- N'-(6-m...)
Show SMILES CC(C)N[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(C)cc12 |r,wU:4.3,wD:7.10,(5,-6,;4.23,-4.67,;5,-3.33,;2.69,-4.67,;1.93,-3.33,;.39,-3.33,;-.38,-2,;.39,-.67,;1.93,-.67,;2.7,-2,;-.38,.67,;-1.92,.67,;-2.69,-.67,;-4.23,-.67,;-5,.67,;-4.23,2,;-5,3.33,;-4.23,4.67,;-2.69,4.67,;-1.92,6,;-1.92,3.33,;-2.69,2,)|
Show InChI InChI=1S/C18H26N4/c1-12(2)21-14-5-7-15(8-6-14)22-18-16-10-13(3)4-9-17(16)19-11-20-18/h4,9-12,14-15,21H,5-8H2,1-3H3,(H,19,20,22)/t14-,15-
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n/an/a 44n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380567
PNG
(US9926330, 2-20 | trans-N-(6- methylquinazolin-4-y...)
Show SMILES Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)NCc3cccs3)c2c1 |r,wU:13.16,wD:10.9,(-2.93,7.19,;-3.7,5.85,;-5.24,5.85,;-6.01,4.52,;-5.24,3.19,;-6.01,1.85,;-5.24,.52,;-3.7,.52,;-2.93,1.85,;-1.39,1.85,;-.62,.52,;-1.39,-.82,;-.62,-2.15,;.92,-2.15,;1.69,-.82,;.92,.52,;1.69,-3.48,;3.23,-3.48,;4,-4.82,;5.54,-4.82,;6.01,-6.28,;4.77,-7.19,;3.52,-6.28,;-3.7,3.19,;-2.93,4.52,)|
Show InChI InChI=1S/C20H24N4S/c1-14-4-9-19-18(11-14)20(23-13-22-19)24-16-7-5-15(6-8-16)21-12-17-3-2-10-25-17/h2-4,9-11,13,15-16,21H,5-8,12H2,1H3,(H,22,23,24)/t15-,16-
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n/an/a 45n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380565
PNG
(US9926330, 2-18 | trans-N-(6- methylquinazolin-4-y...)
Show SMILES Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)NCC3CCOCC3)c2c1 |r,wU:10.9,wD:13.16,(-1.92,8,;-2.69,6.67,;-4.23,6.67,;-5,5.33,;-4.23,4,;-5,2.67,;-4.23,1.33,;-2.69,1.33,;-1.92,2.67,;-.38,2.67,;.39,1.33,;1.93,1.33,;2.7,,;1.93,-1.33,;.39,-1.33,;-.38,,;2.69,-2.67,;1.92,-4,;2.69,-5.33,;1.92,-6.67,;2.69,-8,;4.23,-8,;5,-6.67,;4.23,-5.33,;-2.69,4,;-1.92,5.33,)|
Show InChI InChI=1S/C21H30N4O/c1-15-2-7-20-19(12-15)21(24-14-23-20)25-18-5-3-17(4-6-18)22-13-16-8-10-26-11-9-16/h2,7,12,14,16-18,22H,3-6,8-11,13H2,1H3,(H,23,24,25)/t17-,18-
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n/an/a 46n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380573
PNG
(US9926330, 2-26 | trans-N-[(1-methyl-1H- pyrazol-5...)
Show SMILES Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)NCc3ccnn3C)c2c1 |r,wU:13.16,wD:10.9,(-3.08,7.19,;-3.85,5.85,;-5.39,5.85,;-6.16,4.52,;-5.39,3.19,;-6.16,1.85,;-5.39,.52,;-3.85,.52,;-3.08,1.85,;-1.54,1.85,;-.77,.52,;-1.54,-.82,;-.77,-2.15,;.77,-2.15,;1.54,-.82,;.77,.52,;1.54,-3.48,;3.08,-3.48,;3.85,-4.82,;3.37,-6.28,;4.62,-7.19,;5.87,-6.28,;5.39,-4.82,;6.16,-3.48,;-3.85,3.19,;-3.08,4.52,)|
Show InChI InChI=1S/C20H26N6/c1-14-3-8-19-18(11-14)20(23-13-22-19)25-16-6-4-15(5-7-16)21-12-17-9-10-24-26(17)2/h3,8-11,13,15-16,21H,4-7,12H2,1-2H3,(H,22,23,25)/t15-,16-
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n/an/a 47n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380566
PNG
(US9926330, 2-19 | trans-N-[(4S)-2,2- dimethyltetra...)
Show SMILES Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)NC3CCOC(C)(C)C3)c2c1 |r,wU:10.9,wD:13.16,(-1.15,8,;-1.92,6.67,;-3.46,6.67,;-4.23,5.33,;-3.46,4,;-4.23,2.67,;-3.46,1.33,;-1.92,1.33,;-1.15,2.67,;.39,2.67,;1.16,1.33,;2.7,1.33,;3.47,,;2.7,-1.33,;1.16,-1.33,;.39,,;3.47,-2.67,;2.69,-4,;1.15,-4,;.38,-5.33,;1.15,-6.67,;2.69,-6.67,;3.46,-8,;4.23,-6.67,;3.47,-5.33,;-1.92,4,;-1.15,5.33,)|
Show InChI InChI=1S/C22H32N4O/c1-15-4-9-20-19(12-15)21(24-14-23-20)26-17-7-5-16(6-8-17)25-18-10-11-27-22(2,3)13-18/h4,9,12,14,16-18,25H,5-8,10-11,13H2,1-3H3,(H,23,24,26)/t16-,17-,18?
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n/an/a 54n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380581
PNG
(US9926330, 3-3 | trans-N'-{6-[(1E)-3-methoxyprop- ...)
Show SMILES COC\C=C\c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:14.13,wD:17.20,(-3.21,8.47,;-3.61,6.99,;-2.52,5.9,;-2.92,4.41,;-1.83,3.32,;-2.23,1.83,;-3.72,1.43,;-4.12,-.05,;-3.03,-1.14,;-3.43,-2.63,;-2.34,-3.72,;-.85,-3.32,;-.45,-1.83,;1.04,-1.43,;1.43,-2.92,;2.92,-3.32,;3.32,-4.81,;2.23,-5.9,;.74,-5.5,;.35,-4.01,;2.63,-7.38,;4.12,-7.78,;1.54,-8.47,;-1.54,-.74,;-1.14,.74,)|
Show InChI InChI=1S/C20H28N4O/c1-24(2)17-9-7-16(8-10-17)23-20-18-13-15(5-4-12-25-3)6-11-19(18)21-14-22-20/h4-6,11,13-14,16-17H,7-10,12H2,1-3H3,(H,21,22,23)/b5-4+/t16-,17-
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n/an/a 54n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380578
PNG
(US9926330, 2-31 | trans-N-[(1S)-1-methyl-2- (methy...)
Show SMILES CC(CS(C)=O)N[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(C)cc12 |r,wU:7.6,wD:10.13,(3.47,-3,;2.69,-4.33,;3.47,-5.67,;5,-5.67,;6.54,-5.67,;5.78,-4.33,;1.15,-4.33,;.39,-3,;-1.15,-3,;-1.92,-1.67,;-1.15,-.33,;.39,-.33,;1.16,-1.67,;-1.92,1,;-3.46,1,;-4.23,-.33,;-5.77,-.33,;-6.54,1,;-5.77,2.34,;-6.54,3.67,;-5.77,5,;-4.23,5,;-3.46,6.34,;-3.46,3.67,;-4.23,2.34,)|
Show InChI InChI=1S/C19H28N4OS/c1-13-4-9-18-17(10-13)19(21-12-20-18)23-16-7-5-15(6-8-16)22-14(2)11-25(3)24/h4,9-10,12,14-16,22H,5-8,11H2,1-3H3,(H,20,21,23)/t14?,15-,16-,25?
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n/an/a 56n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380594
PNG
(4-(4-(((trans)-4-Morpholinocyclohexyl)amino)quinaz...)
Show SMILES CC(O)CCc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:14.13,wD:17.20,(12,-2.31,;10.67,-3.08,;10.67,-4.62,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;1.33,-5.39,;1.33,-6.93,;,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-4.62,;-2.67,-7.7,;-4,-6.93,;-5.33,-7.7,;-5.33,-9.24,;-4,-10.01,;-2.67,-9.24,;4,-2.31,;5.33,-3.08,)|
Show InChI InChI=1S/C22H32N4O2/c1-16(27)2-3-17-4-9-21-20(14-17)22(24-15-23-21)25-18-5-7-19(8-6-18)26-10-12-28-13-11-26/h4,9,14-16,18-19,27H,2-3,5-8,10-13H2,1H3,(H,23,24,25)/t16?,18-,19-
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n/an/a 62n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380547
PNG
(US9926330, 1-7)
Show SMILES Cc1ccc2ncnc(O[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:13.16,wD:10.9,(;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;5.33,1.54,;6.67,2.31,;8,1.54,;9.34,2.31,;9.34,3.85,;8,4.62,;6.67,3.85,;10.67,4.62,;10.67,6.16,;12,6.93,;13.34,6.16,;13.34,4.62,;12,3.85,;4,-.77,;2.67,,)|
Show InChI InChI=1S/C19H25N3O2/c1-14-2-7-18-17(12-14)19(21-13-20-18)24-16-5-3-15(4-6-16)22-8-10-23-11-9-22/h2,7,12-13,15-16H,3-6,8-11H2,1H3/t15-,16-
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n/an/a 65n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380569
PNG
(US9926330, 2-22 | trans-N-(6- methylquinazolin-4-y...)
Show SMILES CC(CC(F)(F)F)N[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(C)cc12 |r,wU:8.7,wD:11.14,(3.47,-2.67,;2.69,-4,;3.47,-5.33,;5,-5.33,;5.78,-6.67,;5.78,-4,;6.54,-5.33,;1.15,-4,;.39,-2.67,;-1.15,-2.67,;-1.92,-1.33,;-1.15,,;.39,,;1.16,-1.33,;-1.92,1.33,;-3.46,1.33,;-4.23,,;-5.77,,;-6.54,1.33,;-5.77,2.67,;-6.54,4,;-5.77,5.33,;-4.23,5.33,;-3.46,6.67,;-3.46,4,;-4.23,2.67,)|
Show InChI InChI=1S/C19H25F3N4/c1-12-3-8-17-16(9-12)18(24-11-23-17)26-15-6-4-14(5-7-15)25-13(2)10-19(20,21)22/h3,8-9,11,13-15,25H,4-7,10H2,1-2H3,(H,23,24,26)/t13?,14-,15-
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n/an/a 67n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380590
PNG
(4-{4-[(trans-4- morpholin-4- ylcyclohexyl)amino]- ...)
Show SMILES OCCCCc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:14.13,wD:17.20,(2.69,8,;1.93,6.67,;.38,6.67,;-.38,5.33,;-1.93,5.33,;-2.7,4,;-4.23,4,;-5.01,2.67,;-4.23,1.33,;-5,,;-4.23,-1.33,;-2.69,-1.33,;-1.92,,;-.38,,;.38,-1.33,;1.93,-1.33,;2.7,-2.67,;1.93,-4,;.38,-4,;-.38,-2.67,;2.69,-5.33,;1.92,-6.67,;2.69,-8,;4.23,-8,;5.01,-6.67,;4.23,-5.33,;-2.69,1.33,;-1.93,2.67,)|
Show InChI InChI=1S/C22H32N4O2/c27-12-2-1-3-17-4-9-21-20(15-17)22(24-16-23-21)25-18-5-7-19(8-6-18)26-10-13-28-14-11-26/h4,9,15-16,18-19,27H,1-3,5-8,10-14H2,(H,23,24,25)/t18-,19-
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n/an/a 68n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380576
PNG
(US9926330, 2-29 | trans-N-(2,2- dimethylpropyl)-N'...)
Show SMILES Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)NCC(C)(C)C)c2c1 |r,wU:13.16,wD:10.9,(-2.69,6.67,;-3.47,5.33,;-5,5.33,;-5.78,4,;-5,2.67,;-5.77,1.33,;-5,,;-3.46,,;-2.69,1.33,;-1.15,1.33,;-.38,,;-1.15,-1.33,;-.38,-2.67,;1.16,-2.67,;1.93,-1.33,;1.16,,;1.93,-4,;3.47,-4,;4.23,-5.33,;5.78,-5.33,;3.47,-6.67,;5,-6.67,;-3.46,2.67,;-2.69,4,)|
Show InChI InChI=1S/C20H30N4/c1-14-5-10-18-17(11-14)19(23-13-22-18)24-16-8-6-15(7-9-16)21-12-20(2,3)4/h5,10-11,13,15-16,21H,6-9,12H2,1-4H3,(H,22,23,24)/t15-,16-
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Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380568
PNG
(US9926330, 2-21 | trans-N-[(1S)-1- cyclopropylethy...)
Show SMILES CC(N[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(C)cc12)C1CC1 |r,wU:3.2,wD:6.9,(4.34,-2.56,;3.57,-3.9,;2.03,-3.9,;1.26,-2.56,;-.28,-2.56,;-1.05,-1.23,;-.28,.1,;1.26,.1,;2.03,-1.23,;-1.05,1.44,;-2.59,1.44,;-3.36,.1,;-4.9,.1,;-5.67,1.44,;-4.9,2.77,;-5.67,4.1,;-4.9,5.44,;-3.36,5.44,;-2.59,6.77,;-2.59,4.1,;-3.36,2.77,;4.34,-5.23,;4.34,-6.77,;5.67,-6,)|
Show InChI InChI=1S/C20H28N4/c1-13-3-10-19-18(11-13)20(22-12-21-19)24-17-8-6-16(7-9-17)23-14(2)15-4-5-15/h3,10-12,14-17,23H,4-9H2,1-2H3,(H,21,22,24)/t14?,16-,17-
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n/an/a 73n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380574
PNG
(US9926330, 2-27 | trans-N-[(3-methyloxetan- 3-yl)m...)
Show SMILES Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)NCC3(C)COC3)c2c1 |r,wU:13.16,wD:10.9,(-2.69,6.94,;-3.47,5.61,;-5,5.61,;-5.78,4.28,;-5,2.94,;-5.77,1.61,;-5,.28,;-3.46,.28,;-2.69,1.61,;-1.15,1.61,;-.38,.28,;-1.15,-1.06,;-.38,-2.39,;1.16,-2.39,;1.93,-1.06,;1.16,.28,;1.93,-3.72,;3.47,-3.72,;4.23,-5.06,;5.78,-5.06,;2.75,-5.46,;3.15,-6.94,;4.63,-6.55,;-3.46,2.94,;-2.69,4.28,)|
Show InChI InChI=1S/C20H28N4O/c1-14-3-8-18-17(9-14)19(23-13-22-18)24-16-6-4-15(5-7-16)21-10-20(2)11-25-12-20/h3,8-9,13,15-16,21H,4-7,10-12H2,1-2H3,(H,22,23,24)/t15-,16-
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n/an/a 77n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380564
PNG
((trans)-N1-(6-methylquinazolin-4-yl)-N4-(tetrahydr...)
Show SMILES Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)NC3CCOCC3)c2c1 |r,wU:13.16,wD:10.9,(;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;5.33,1.54,;6.67,2.31,;8,1.54,;9.34,2.31,;9.34,3.85,;8,4.62,;6.67,3.85,;10.67,4.62,;12,3.85,;13.34,4.62,;14.67,3.85,;14.67,2.31,;13.34,1.54,;12,2.31,;4,-.77,;2.67,,)|
Show InChI InChI=1S/C20H28N4O/c1-14-2-7-19-18(12-14)20(22-13-21-19)24-16-5-3-15(4-6-16)23-17-8-10-25-11-9-17/h2,7,12-13,15-17,23H,3-6,8-11H2,1H3,(H,21,22,24)/t15-,16-
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n/an/a 77n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380558
PNG
(6-methyl-N-{4- [4- (trifluoromethyl)- piperidin-1-...)
Show SMILES Cc1ccc2ncnc(NC3CCC(CC3)N3CCC(CC3)C(F)(F)F)c2c1 |(-2.69,8,;-3.47,6.67,;-5,6.67,;-5.78,5.33,;-5,4,;-5.77,2.67,;-5,1.33,;-3.46,1.33,;-2.69,2.67,;-1.15,2.67,;-.38,1.33,;-1.15,,;-.38,-1.33,;1.16,-1.33,;1.93,,;1.16,1.33,;1.93,-2.67,;1.15,-4,;1.93,-5.33,;3.47,-5.33,;4.24,-4,;3.47,-2.67,;4.23,-6.67,;3.46,-8,;5.78,-6.67,;5,-8,;-3.46,4,;-2.69,5.33,)|
Show InChI InChI=1S/C21H27F3N4/c1-14-2-7-19-18(12-14)20(26-13-25-19)27-16-3-5-17(6-4-16)28-10-8-15(9-11-28)21(22,23)24/h2,7,12-13,15-17H,3-6,8-11H2,1H3,(H,25,26,27)
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n/an/a 88n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380550
PNG
(N-[trans-4-(3- fluoroazetidin-1- yl)cyclohexyl]-6-...)
Show SMILES Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CC(F)C3)c2c1 |r,wU:13.16,wD:10.9,(-1.7,6.94,;-2.47,5.61,;-4.01,5.61,;-4.78,4.28,;-4.01,2.94,;-4.78,1.61,;-4.01,.28,;-2.47,.28,;-1.7,1.61,;-.16,1.61,;.61,.28,;-.16,-1.06,;.61,-2.39,;2.15,-2.39,;2.92,-1.06,;2.15,.28,;2.92,-3.72,;2.52,-5.21,;4.01,-5.61,;4.78,-6.94,;4.41,-4.12,;-2.47,2.94,;-1.7,4.28,)|
Show InChI InChI=1S/C18H23FN4/c1-12-2-7-17-16(8-12)18(21-11-20-17)22-14-3-5-15(6-4-14)23-9-13(19)10-23/h2,7-8,11,13-15H,3-6,9-10H2,1H3,(H,20,21,22)/t14-,15-
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n/an/a 94n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380556
PNG
(6-methyl-N- [trans-4-(2-oxa-6- azaspiro[3.4]oct- 6...)
Show SMILES Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC4(COC4)C3)c2c1 |r,wU:10.9,wD:13.16,(-2.83,6.73,;-3.6,5.4,;-5.14,5.4,;-5.91,4.07,;-5.14,2.73,;-5.91,1.4,;-5.14,.07,;-3.6,.07,;-2.83,1.4,;-1.29,1.4,;-.52,.07,;1.02,.07,;1.79,-1.27,;1.02,-2.6,;-.52,-2.6,;-1.29,-1.27,;1.79,-3.94,;1.31,-5.4,;2.56,-6.31,;3.81,-5.4,;4.58,-6.73,;5.91,-5.96,;5.14,-4.63,;3.33,-3.94,;-3.6,2.73,;-2.83,4.07,)|
Show InChI InChI=1S/C21H28N4O/c1-15-2-7-19-18(10-15)20(23-14-22-19)24-16-3-5-17(6-4-16)25-9-8-21(11-25)12-26-13-21/h2,7,10,14,16-17H,3-6,8-9,11-13H2,1H3,(H,22,23,24)/t16-,17-
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n/an/a 95n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380593
PNG
(N-((trans)-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyc...)
Show SMILES Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CC4(COC4)C3)c2c1 |r,wU:10.9,wD:13.16,(8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;1.33,-5.39,;1.33,-6.93,;,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-4.62,;-2.67,-7.7,;-4.15,-7.3,;-4.55,-8.79,;-4.95,-10.28,;-6.44,-9.88,;-6.04,-8.39,;-3.07,-9.19,;4,-2.31,;5.33,-3.08,)|
Show InChI InChI=1S/C20H26N4O/c1-14-2-7-18-17(8-14)19(22-13-21-18)23-15-3-5-16(6-4-15)24-9-20(10-24)11-25-12-20/h2,7-8,13,15-16H,3-6,9-12H2,1H3,(H,21,22,23)/t15-,16-
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Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380552
PNG
(4-{trans-4-[(6- methylquinazolin- 4- yl)amino]cycl...)
Show SMILES Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCNC(=O)C3)c2c1 |r,wU:10.9,wD:13.16,(-1.93,7.34,;-2.7,6,;-4.23,6,;-5.01,4.67,;-4.23,3.33,;-5,2,;-4.23,.67,;-2.69,.67,;-1.92,2,;-.38,2,;.38,.67,;1.93,.67,;2.7,-.67,;1.93,-2,;.38,-2,;-.38,-.67,;2.69,-3.33,;4.23,-3.33,;5.01,-4.67,;4.23,-6,;2.69,-6,;1.93,-7.34,;1.92,-4.67,;-2.69,3.33,;-1.93,4.67,)|
Show InChI InChI=1S/C19H25N5O/c1-13-2-7-17-16(10-13)19(22-12-21-17)23-14-3-5-15(6-4-14)24-9-8-20-18(25)11-24/h2,7,10,12,14-15H,3-6,8-9,11H2,1H3,(H,20,25)(H,21,22,23)/t14-,15-
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Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380570
PNG
((3S)-2-methyl-3-({trans-4- [(6-methylquinazolin-4-...)
Show SMILES CC(N[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(C)cc12)C(C)(C)O |r,wU:3.2,wD:6.9,(4.23,-2.67,;3.47,-4,;1.93,-4,;1.16,-2.67,;-.38,-2.67,;-1.15,-1.33,;-.38,,;1.16,,;1.93,-1.33,;-1.15,1.33,;-2.69,1.33,;-3.46,,;-5,,;-5.77,1.33,;-5,2.67,;-5.78,4,;-5,5.33,;-3.47,5.33,;-2.69,6.67,;-2.69,4,;-3.46,2.67,;4.23,-5.33,;3.47,-6.67,;5,-6.67,;5.78,-5.33,)|
Show InChI InChI=1S/C20H30N4O/c1-13-5-10-18-17(11-13)19(22-12-21-18)24-16-8-6-15(7-9-16)23-14(2)20(3,4)25/h5,10-12,14-16,23,25H,6-9H2,1-4H3,(H,21,22,24)/t14?,15-,16-
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n/an/a 123n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380577
PNG
(US9926330, 2-30 | trans-N-[(1S)-2,2-difluoro- 1-me...)
Show SMILES CC(N[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(C)cc12)C(F)F |r,wU:3.2,wD:6.9,(4.23,-2.67,;3.47,-4,;1.93,-4,;1.16,-2.67,;-.38,-2.67,;-1.15,-1.33,;-.38,,;1.16,,;1.93,-1.33,;-1.15,1.33,;-2.69,1.33,;-3.46,,;-5,,;-5.77,1.33,;-5,2.67,;-5.78,4,;-5,5.33,;-3.47,5.33,;-2.69,6.67,;-2.69,4,;-3.46,2.67,;4.23,-5.33,;3.47,-6.67,;5.78,-5.33,)|
Show InChI InChI=1S/C18H24F2N4/c1-11-3-8-16-15(9-11)18(22-10-21-16)24-14-6-4-13(5-7-14)23-12(2)17(19)20/h3,8-10,12-14,17,23H,4-7H2,1-2H3,(H,21,22,24)/t12?,13-,14-
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n/an/a 126n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380583
PNG
(4-(4-(((trans)-4-morpholinocyclohexyl)amino)quinaz...)
Show SMILES N#CCCCc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:14.13,wD:17.20,(13.34,-1.54,;12,-2.31,;10.67,-3.08,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;1.33,-5.39,;1.33,-6.93,;,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-4.62,;-2.67,-7.7,;-4,-6.93,;-5.33,-7.7,;-5.33,-9.24,;-4,-10.01,;-2.67,-9.24,;4,-2.31,;5.33,-3.08,)|
Show InChI InChI=1S/C22H29N5O/c23-10-2-1-3-17-4-9-21-20(15-17)22(25-16-24-21)26-18-5-7-19(8-6-18)27-11-13-28-14-12-27/h4,9,15-16,18-19H,1-3,5-8,11-14H2,(H,24,25,26)/t18-,19-
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n/an/a 142n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380579
PNG
((trans)-N1-(6-((E)-2-cyclopropylvinyl)quinazolin-4...)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(\C=C\C3CC3)cc12 |r,wU:3.2,wD:6.9,(10.67,6.16,;10.67,4.62,;12,3.85,;9.34,3.85,;9.34,2.31,;8,1.54,;6.67,2.31,;6.67,3.85,;8,4.62,;5.33,1.54,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;;-1.33,-.77,;-2.67,,;-4.21,,;-3.44,1.33,;2.67,,;4,-.77,)|
Show InChI InChI=1S/C21H28N4/c1-25(2)18-10-8-17(9-11-18)24-21-19-13-16(6-5-15-3-4-15)7-12-20(19)22-14-23-21/h5-7,12-15,17-18H,3-4,8-11H2,1-2H3,(H,22,23,24)/b6-5+/t17-,18-
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n/an/a 145n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380555
PNG
(N-[trans-4-(3,3- difluoropyrrolidin- 1-yl)cyclohex...)
Show SMILES Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC(F)(F)C3)c2c1 |r,wU:10.9,wD:13.16,(-2.44,6.84,;-3.21,5.5,;-4.75,5.5,;-5.52,4.17,;-4.75,2.84,;-5.52,1.5,;-4.75,.17,;-3.21,.17,;-2.44,1.5,;-.9,1.5,;-.13,.17,;1.41,.17,;2.18,-1.16,;1.41,-2.5,;-.13,-2.5,;-.9,-1.16,;2.18,-3.83,;1.7,-5.3,;2.95,-6.2,;4.19,-5.3,;4.19,-6.84,;5.52,-6.07,;3.72,-3.83,;-3.21,2.84,;-2.44,4.17,)|
Show InChI InChI=1S/C19H24F2N4/c1-13-2-7-17-16(10-13)18(23-12-22-17)24-14-3-5-15(6-4-14)25-9-8-19(20,21)11-25/h2,7,10,12,14-15H,3-6,8-9,11H2,1H3,(H,22,23,24)/t14-,15-
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n/an/a 234n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380560
PNG
(6-methyl-N-{4- [3- (trifluoromethyl)- piperidin-1-...)
Show SMILES Cc1ccc2ncnc(NC3CCC(CC3)N3CCCC(C3)C(F)(F)F)c2c1 |(-3.47,6.67,;-4.24,5.33,;-5.78,5.33,;-6.55,4,;-5.78,2.67,;-6.54,1.33,;-5.78,,;-4.23,,;-3.46,1.33,;-1.93,1.33,;-1.15,,;-1.93,-1.33,;-1.15,-2.67,;.38,-2.67,;1.16,-1.33,;.38,,;1.15,-4,;.38,-5.33,;1.15,-6.67,;2.69,-6.67,;3.47,-5.33,;2.69,-4,;5.01,-5.33,;5.78,-6.67,;5.78,-4,;6.55,-5.33,;-4.23,2.67,;-3.47,4,)|
Show InChI InChI=1S/C21H27F3N4/c1-14-4-9-19-18(11-14)20(26-13-25-19)27-16-5-7-17(8-6-16)28-10-2-3-15(12-28)21(22,23)24/h4,9,11,13,15-17H,2-3,5-8,10,12H2,1H3,(H,25,26,27)
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n/an/a 269n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380548
PNG
(6-methyl-N-((1R,4R)-4-(3-(methylsulfonyl)azetidin-...)
Show SMILES Cc1ccc2ncnc(NC3CC[C@@H](CC3)N3CC(C3)S(C)(=O)=O)c2c1 |r,wD:13.16,(;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;5.33,1.54,;6.67,2.31,;6.67,3.85,;8,4.62,;9.34,3.85,;9.34,2.31,;8,1.54,;10.67,4.62,;10.99,6.13,;12.52,5.97,;12.2,4.46,;13.77,6.87,;15.17,6.24,;13.61,8.4,;13.93,5.34,;4,-.77,;2.67,,)|
Show InChI InChI=1S/C19H26N4O2S/c1-13-3-8-18-17(9-13)19(21-12-20-18)22-14-4-6-15(7-5-14)23-10-16(11-23)26(2,24)25/h3,8-9,12,14-16H,4-7,10-11H2,1-2H3,(H,20,21,22)/t14?,15-
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n/an/a 384n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380557
PNG
(6-methyl-N-{cis- 4-[3- (methylsulfonyl)- azetidin-...)
Show SMILES Cc1ccc2ncnc(N[C@H]3CC[C@H](CC3)N3CC(C3)S(C)(=O)=O)c2c1 |r,wU:10.9,13.16,(-2.37,7.61,;-3.14,6.28,;-4.68,6.28,;-5.45,4.94,;-4.68,3.61,;-5.45,2.28,;-4.68,.94,;-3.14,.94,;-2.37,2.28,;-.83,2.28,;-.06,.94,;1.48,.94,;2.25,-.39,;1.48,-1.72,;-.06,-1.72,;-.83,-.39,;2.25,-3.06,;1.86,-4.55,;3.34,-4.94,;3.74,-3.46,;4.11,-6.28,;4.88,-7.61,;5.45,-5.51,;2.78,-7.05,;-3.14,3.61,;-2.37,4.94,)|
Show InChI InChI=1S/C19H26N4O2S/c1-13-3-8-18-17(9-13)19(21-12-20-18)22-14-4-6-15(7-5-14)23-10-16(11-23)26(2,24)25/h3,8-9,12,14-16H,4-7,10-11H2,1-2H3,(H,20,21,22)/t14-,15+
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n/an/a 384n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380592
PNG
(4-((trans)-4-(((6-methylquinazolin-4-yl)amino)cycl...)
Show SMILES Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCS(=O)(=O)CC3)c2c1 |r,wU:13.16,wD:10.9,(;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;5.33,1.54,;6.67,2.31,;8,1.54,;9.34,2.31,;9.34,3.85,;8,4.62,;6.67,3.85,;10.67,4.62,;10.67,6.16,;12,6.93,;13.34,6.16,;14.15,7.47,;14.88,6.21,;13.34,4.62,;12,3.85,;4,-.77,;2.67,,)|
Show InChI InChI=1S/C19H26N4O2S/c1-14-2-7-18-17(12-14)19(21-13-20-18)22-15-3-5-16(6-4-15)23-8-10-26(24,25)11-9-23/h2,7,12-13,15-16H,3-6,8-11H2,1H3,(H,20,21,22)/t15-,16-
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n/an/a 623n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50242703
PNG
(CHEMBL4069378 | US9926330, 1-1)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2cc(C)c(C)cc12 |r,wU:6.9,wD:3.2,(69.5,-34.15,;68.16,-33.38,;68.16,-31.84,;66.83,-34.15,;65.49,-33.38,;64.16,-34.16,;64.17,-35.69,;65.51,-36.46,;66.83,-35.69,;62.84,-36.47,;62.85,-38.01,;64.18,-38.77,;64.19,-40.32,;62.86,-41.09,;61.52,-40.32,;60.19,-41.1,;58.86,-40.33,;57.52,-41.1,;58.86,-38.79,;57.52,-38.02,;60.19,-38.02,;61.52,-38.78,)|
Show InChI InChI=1S/C18H26N4/c1-12-9-16-17(10-13(12)2)19-11-20-18(16)21-14-5-7-15(8-6-14)22(3)4/h9-11,14-15H,5-8H2,1-4H3,(H,19,20,21)/t14-,15-
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n/an/a 1.21E+3n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380549
PNG
(N-[cis-4-(3- fluoroazetidin-1- yl)cyclohexyl]-6- m...)
Show SMILES Cc1ccc2ncnc(N[C@H]3CC[C@H](CC3)N3CC(F)C3)c2c1 |r,wU:10.9,13.16,(-1.7,6.94,;-2.47,5.61,;-4.01,5.61,;-4.78,4.28,;-4.01,2.94,;-4.78,1.61,;-4.01,.28,;-2.47,.28,;-1.7,1.61,;-.16,1.61,;.61,.28,;2.15,.28,;2.92,-1.06,;2.15,-2.39,;.61,-2.39,;-.16,-1.06,;2.92,-3.72,;2.52,-5.21,;4.01,-5.61,;4.78,-6.94,;4.41,-4.12,;-2.47,2.94,;-1.7,4.28,)|
Show InChI InChI=1S/C18H23FN4/c1-12-2-7-17-16(8-12)18(21-11-20-17)22-14-3-5-15(6-4-14)23-9-13(19)10-23/h2,7-8,11,13-15H,3-6,9-10H2,1H3,(H,20,21,22)/t14-,15+
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n/an/a 1.37E+3n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380561
PNG
(6-methyl-N-{4- [2- (trifluoromethyl)- piperidin-1-...)
Show SMILES Cc1ccc2ncnc(NC3CCC(CC3)N3CCCCC3C(F)(F)F)c2c1 |(-1.93,6.67,;-2.7,5.33,;-4.23,5.33,;-5.01,4,;-4.23,2.67,;-5,1.33,;-4.23,,;-2.69,,;-1.92,1.33,;-.38,1.33,;.38,,;-.38,-1.33,;.38,-2.67,;1.93,-2.67,;2.7,-1.33,;1.93,,;2.69,-4,;4.23,-4,;5.01,-5.33,;4.23,-6.67,;2.69,-6.67,;1.92,-5.33,;.38,-5.33,;-.39,-6.67,;-.39,-4,;-1.16,-5.33,;-2.69,2.67,;-1.93,4,)|
Show InChI InChI=1S/C21H27F3N4/c1-14-5-10-18-17(12-14)20(26-13-25-18)27-15-6-8-16(9-7-15)28-11-3-2-4-19(28)21(22,23)24/h5,10,12-13,15-16,19H,2-4,6-9,11H2,1H3,(H,25,26,27)
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n/an/a 1.76E+3n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380551
PNG
(4-{cis-4-[(6- methylquinazolin- 4- yl)amino]cyclo-...)
Show SMILES Cc1ccc2ncnc(N[C@H]3CC[C@H](CC3)N3CCNC(=O)C3)c2c1 |r,wD:10.9,13.16,(-1.93,7.34,;-2.7,6,;-4.23,6,;-5.01,4.67,;-4.23,3.33,;-5,2,;-4.23,.67,;-2.69,.67,;-1.92,2,;-.38,2,;.38,.67,;-.38,-.67,;.38,-2,;1.93,-2,;2.7,-.67,;1.93,.67,;2.69,-3.33,;4.23,-3.33,;5.01,-4.67,;4.23,-6,;2.69,-6,;1.93,-7.34,;1.92,-4.67,;-2.69,3.33,;-1.93,4.67,)|
Show InChI InChI=1S/C19H25N5O/c1-13-2-7-17-16(10-13)19(22-12-21-17)23-14-3-5-15(6-4-14)24-9-8-20-18(25)11-24/h2,7,10,12,14-15H,3-6,8-9,11H2,1H3,(H,20,25)(H,21,22,23)/t14-,15+
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n/an/a 2.20E+3n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380553
PNG
(1-{trans-4-[(6- methylquinazolin- 4- yl)amino]cycl...)
Show SMILES Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CC(O)C3)c2c1 |r,wU:10.9,wD:13.16,(-1.7,6.94,;-2.47,5.61,;-4.01,5.61,;-4.78,4.28,;-4.01,2.94,;-4.78,1.61,;-4.01,.28,;-2.47,.28,;-1.7,1.61,;-.16,1.61,;.61,.28,;2.15,.28,;2.92,-1.06,;2.15,-2.39,;.61,-2.39,;-.16,-1.06,;2.92,-3.72,;2.52,-5.21,;4.01,-5.61,;4.78,-6.94,;4.41,-4.12,;-2.47,2.94,;-1.7,4.28,)|
Show InChI InChI=1S/C18H24N4O/c1-12-2-7-17-16(8-12)18(20-11-19-17)21-13-3-5-14(6-4-13)22-9-15(23)10-22/h2,7-8,11,13-15,23H,3-6,9-10H2,1H3,(H,19,20,21)/t13-,14-
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n/an/a 2.35E+3n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380561
PNG
(6-methyl-N-{4- [2- (trifluoromethyl)- piperidin-1-...)
Show SMILES Cc1ccc2ncnc(NC3CCC(CC3)N3CCCCC3C(F)(F)F)c2c1 |(-1.93,6.67,;-2.7,5.33,;-4.23,5.33,;-5.01,4,;-4.23,2.67,;-5,1.33,;-4.23,,;-2.69,,;-1.92,1.33,;-.38,1.33,;.38,,;-.38,-1.33,;.38,-2.67,;1.93,-2.67,;2.7,-1.33,;1.93,,;2.69,-4,;4.23,-4,;5.01,-5.33,;4.23,-6.67,;2.69,-6.67,;1.92,-5.33,;.38,-5.33,;-.39,-6.67,;-.39,-4,;-1.16,-5.33,;-2.69,2.67,;-1.93,4,)|
Show InChI InChI=1S/C21H27F3N4/c1-14-5-10-18-17(12-14)20(26-13-25-18)27-15-6-8-16(9-7-15)28-11-3-2-4-19(28)21(22,23)24/h5,10,12-13,15-16,19H,2-4,6-9,11H2,1H3,(H,25,26,27)
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n/an/a 3.23E+3n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM380559
PNG
(6-methyl-N-{4- [4- (trifluoromethyl)- piperidin-1-...)
Show SMILES Cc1ccc2ncnc(NC3CCC(CC3)N3CCC(CC3)C(F)(F)F)c2c1 |(-2.69,8,;-3.46,6.67,;-5,6.67,;-5.77,5.33,;-5,4,;-5.77,2.67,;-5,1.33,;-3.46,1.33,;-2.69,2.67,;-1.15,2.67,;-.38,1.33,;-1.15,,;-.38,-1.33,;1.16,-1.33,;1.93,,;1.16,1.33,;1.93,-2.67,;1.15,-4,;1.93,-5.33,;3.47,-5.33,;4.24,-4,;3.47,-2.67,;4.23,-6.67,;3.46,-8,;5.77,-6.67,;5,-8,;-3.46,4,;-2.69,5.33,)|
Show InChI InChI=1S/C21H27F3N4/c1-14-2-7-19-18(12-14)20(26-13-25-19)27-16-3-5-17(6-4-16)28-10-8-15(9-11-28)21(22,23)24/h2,7,12-13,15-17H,3-6,8-11H2,1H3,(H,25,26,27)
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n/an/a 9.38E+3n/an/an/an/an/an/a



Moffitt Cancer Center



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...

J Med Chem 51: 4948-56 (2008)


BindingDB Entry DOI: 10.7270/Q2GB26B4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%