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USPatent US9943516

Compile data set for download or QSAR
Found 19 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))		BDBM388447
PNG
(6-cyclobutyl-N- (trans-4- morpholin-4- ylcyclohexy...)
Show SMILES C1CC(C1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:16.20,wD:13.13,(-.83,7.61,;-.44,6.12,;-1.92,5.72,;-2.32,7.21,;-2.69,4.39,;-4.23,4.39,;-5,3.05,;-4.23,1.72,;-5,.39,;-4.23,-.95,;-2.69,-.95,;-1.92,.39,;-.38,.39,;.39,-.95,;-.38,-2.28,;.39,-3.61,;1.92,-3.61,;2.69,-2.28,;1.92,-.95,;2.69,-4.94,;1.92,-6.27,;2.69,-7.61,;4.23,-7.61,;5,-6.27,;4.23,-4.94,;-2.69,1.72,;-1.92,3.05,)|
Show InChI InChI=1S/C22H30N4O/c1-2-16(3-1)17-4-9-21-20(14-17)22(24-15-23-21)25-18-5-7-19(8-6-18)26-10-12-27-13-11-26/h4,9,14-16,18-19H,1-3,5-8,10-13H2,(H,23,24,25)/t18-,19-
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n/an/a 3n/an/an/an/an/an/a



Schering-Plough Research Institute



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...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2KP84GR
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM388448
PNG
(6-cyclopentyl-N- (trans-4- morpholin-4- ylcyclohex...)
Show SMILES C1CCC(C1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:17.21,wD:14.14,(.09,6.94,;-1.15,7.85,;-2.4,6.94,;-1.92,5.48,;-.38,5.48,;-2.69,4.15,;-4.23,4.15,;-5,2.81,;-4.23,1.48,;-5,.14,;-4.23,-1.19,;-2.69,-1.19,;-1.92,.14,;-.38,.14,;.39,-1.19,;-.38,-2.52,;.39,-3.85,;1.92,-3.85,;2.69,-2.52,;1.92,-1.19,;2.69,-5.18,;1.92,-6.52,;2.69,-7.85,;4.23,-7.85,;5,-6.52,;4.23,-5.18,;-2.69,1.48,;-1.92,2.81,)|
Show InChI InChI=1S/C23H32N4O/c1-2-4-17(3-1)18-5-10-22-21(15-18)23(25-16-24-22)26-19-6-8-20(9-7-19)27-11-13-28-14-12-27/h5,10,15-17,19-20H,1-4,6-9,11-14H2,(H,24,25,26)/t19-,20-
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n/an/a 5n/an/an/an/an/an/a



Schering-Plough Research Institute



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...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2KP84GR
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM388444
PNG
(6-cyclopropyl-N- (trans-4- morpholin-4- ylcyclohex...)
Show SMILES C1CC1c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:12.12,wD:15.19,(-4.56,5.28,;-6.1,5.28,;-5.33,3.95,;-5.33,2.41,;-6.66,1.64,;-6.66,.1,;-5.33,-.67,;-5.33,-2.21,;-4,-2.98,;-2.66,-2.21,;-2.66,-.67,;-1.33,.1,;0,-.67,;1.33,.1,;2.66,-.67,;2.66,-2.2,;1.33,-2.97,;0,-2.2,;4,-2.97,;4,-4.51,;5.33,-5.28,;6.66,-4.51,;6.66,-2.97,;5.33,-2.2,;-4,.1,;-4,1.64,)|
Show InChI InChI=1S/C21H28N4O/c1-2-15(1)16-3-8-20-19(13-16)21(23-14-22-20)24-17-4-6-18(7-5-17)25-9-11-26-12-10-25/h3,8,13-15,17-18H,1-2,4-7,9-12H2,(H,22,23,24)/t17-,18-
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n/an/a 5n/an/an/an/an/an/a



Schering-Plough Research Institute



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...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2KP84GR
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM388458
PNG
(US9943516, 4-1 | US9943516, 4-2 | US9943516, 4-3)
Show SMILES OC1CCCC(C1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:16.16,wD:19.23,(12,-2.31,;10.67,-3.08,;10.67,-4.62,;9.34,-5.39,;8,-4.62,;8,-3.08,;9.34,-2.31,;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/C24H34N4O2/c29-21-3-1-2-17(14-21)18-4-9-23-22(15-18)24(26-16-25-23)27-19-5-7-20(8-6-19)28-10-12-30-13-11-28/h4,9,15-17,19-21,29H,1-3,5-8,10-14H2,(H,25,26,27)/t17?,19-,20-,21?
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n/an/a 11n/an/an/an/an/an/a



Schering-Plough Research Institute



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...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2KP84GR
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM388443
PNG
(N'-(6- cyclopropylquinazolin- 4-yl)-N,N- dimethylc...)
Show SMILES CN(C)C1CCC(CC1)Nc1ncnc2ccc(cc12)C1CC1 |(6.77,-2.31,;5.44,-3.08,;5.44,-4.62,;4.1,-2.31,;2.77,-3.08,;1.44,-2.31,;1.44,-.77,;2.77,0,;4.1,-.77,;.1,0,;.1,1.54,;1.44,2.31,;1.44,3.85,;.1,4.62,;-1.23,3.85,;-2.56,4.62,;-3.9,3.85,;-3.9,2.31,;-2.56,1.54,;-1.23,2.31,;-5.23,1.54,;-6.77,1.54,;-6,.2,)|
Show InChI InChI=1S/C19H26N4/c1-23(2)16-8-6-15(7-9-16)22-19-17-11-14(13-3-4-13)5-10-18(17)20-12-21-19/h5,10-13,15-16H,3-4,6-9H2,1-2H3,(H,20,21,22)
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n/an/a 12n/an/an/an/an/an/a



Schering-Plough Research Institute



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...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2KP84GR
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM388445
PNG
(6-cyclopropyl-7- fluoro-N-(trans-4- morpholin-4- y...)
Show SMILES Fc1cc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2cc1C1CC1 |r,wU:9.8,wD:12.15,(-7.33,2.41,;-6,1.64,;-6,.1,;-4.66,-.67,;-4.66,-2.21,;-3.33,-2.98,;-2,-2.21,;-2,-.67,;-.66,.1,;.67,-.67,;2,.1,;3.33,-.67,;3.33,-2.2,;2,-2.97,;.67,-2.2,;4.66,-2.97,;4.66,-4.51,;6,-5.28,;7.33,-4.51,;7.33,-2.97,;6,-2.2,;-3.33,.1,;-3.33,1.64,;-4.66,2.41,;-4.66,3.95,;-3.89,5.28,;-5.43,5.28,)|
Show InChI InChI=1S/C21H27FN4O/c22-19-12-20-18(11-17(19)14-1-2-14)21(24-13-23-20)25-15-3-5-16(6-4-15)26-7-9-27-10-8-26/h11-16H,1-10H2,(H,23,24,25)/t15-,16-
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n/an/a 12n/an/an/an/an/an/a



Schering-Plough Research Institute



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...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2KP84GR
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM388456
PNG
(N-(trans-4- morpholin-4- ylcyclohexyl)-6- (tetrahy...)
Show SMILES C1COCC(C1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:18.22,wD:15.15,(-4,5.39,;-5.33,6.16,;-6.66,5.39,;-6.66,3.85,;-5.33,3.08,;-4,3.85,;-5.33,1.54,;-6.66,.77,;-6.66,-.77,;-5.33,-1.54,;-5.33,-3.08,;-4,-3.85,;-2.66,-3.08,;-2.66,-1.54,;-1.33,-.77,;0,-1.54,;0,-3.08,;1.33,-3.85,;2.66,-3.08,;2.66,-1.54,;1.33,-.77,;4,-3.85,;4,-5.39,;5.33,-6.16,;6.66,-5.39,;6.66,-3.85,;5.33,-3.08,;-4,-.77,;-4,.77,)|
Show InChI InChI=1S/C23H32N4O2/c1-2-18(15-29-11-1)17-3-8-22-21(14-17)23(25-16-24-22)26-19-4-6-20(7-5-19)27-9-12-28-13-10-27/h3,8,14,16,18-20H,1-2,4-7,9-13,15H2,(H,24,25,26)/t18?,19-,20-
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n/an/a 13n/an/an/an/an/an/a



Schering-Plough Research Institute



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...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2KP84GR
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM388451
PNG
(N-(trans-4- morpholin-4- ylcyclohexyl)-6- (tetrahy...)
Show SMILES C1CC(CO1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:17.21,wD:14.14,(-1.15,7.85,;-2.4,6.94,;-1.92,5.48,;-.38,5.48,;.09,6.94,;-2.69,4.15,;-4.23,4.15,;-5,2.81,;-4.23,1.48,;-5,.14,;-4.23,-1.19,;-2.69,-1.19,;-1.92,.14,;-.38,.14,;.39,-1.19,;-.38,-2.52,;.39,-3.85,;1.92,-3.85,;2.69,-2.52,;1.92,-1.19,;2.69,-5.18,;1.92,-6.52,;2.69,-7.85,;4.23,-7.85,;5,-6.52,;4.23,-5.18,;-2.69,1.48,;-1.92,2.81,)|
Show InChI InChI=1S/C22H30N4O2/c1-6-21-20(13-16(1)17-7-10-28-14-17)22(24-15-23-21)25-18-2-4-19(5-3-18)26-8-11-27-12-9-26/h1,6,13,15,17-19H,2-5,7-12,14H2,(H,23,24,25)/t17?,18-,19-
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n/an/a 18n/an/an/an/an/an/a



Schering-Plough Research Institute



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...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2KP84GR
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM388449
PNG
(6-cyclohexyl-N- (trans-4- morpholin-4- ylcyclohexy...)
Show SMILES C1CCC(CC1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:18.22,wD:15.15,(-.38,8,;.39,6.66,;-.38,5.33,;-1.92,5.33,;-2.69,6.66,;-1.92,8,;-2.69,4,;-4.23,4,;-5,2.66,;-4.23,1.33,;-5,-0,;-4.23,-1.34,;-2.69,-1.34,;-1.92,-0,;-.38,-0,;.39,-1.34,;-.38,-2.67,;.39,-4,;1.92,-4,;2.69,-2.67,;1.92,-1.34,;2.69,-5.33,;1.92,-6.66,;2.69,-8,;4.23,-8,;5,-6.66,;4.23,-5.33,;-2.69,1.33,;-1.92,2.66,)|
Show InChI InChI=1S/C24H34N4O/c1-2-4-18(5-3-1)19-6-11-23-22(16-19)24(26-17-25-23)27-20-7-9-21(10-8-20)28-12-14-29-15-13-28/h6,11,16-18,20-21H,1-5,7-10,12-15H2,(H,25,26,27)/t20-,21-
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n/an/a 19n/an/an/an/an/an/a



Schering-Plough Research Institute



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...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2KP84GR
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM388450
PNG
(US9943516, 2-1)
Show SMILES C1OCC1c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:13.13,wD:16.20,(9.49,-2.68,;9.89,-4.17,;8.4,-4.57,;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/C21H28N4O2/c1-6-20-19(11-15(1)16-12-27-13-16)21(23-14-22-20)24-17-2-4-18(5-3-17)25-7-9-26-10-8-25/h1,6,11,14,16-18H,2-5,7-10,12-13H2,(H,22,23,24)/t17-,18-
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n/an/a 32n/an/an/an/an/an/a



Schering-Plough Research Institute



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...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2KP84GR
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM388458
PNG
(US9943516, 4-1 | US9943516, 4-2 | US9943516, 4-3)
Show SMILES OC1CCCC(C1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:16.16,wD:19.23,(12,-2.31,;10.67,-3.08,;10.67,-4.62,;9.34,-5.39,;8,-4.62,;8,-3.08,;9.34,-2.31,;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/C24H34N4O2/c29-21-3-1-2-17(14-21)18-4-9-23-22(15-18)24(26-16-25-23)27-19-5-7-20(8-6-19)28-10-12-30-13-11-28/h4,9,15-17,19-21,29H,1-3,5-8,10-14H2,(H,25,26,27)/t17?,19-,20-,21?
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n/an/a 39n/an/an/an/an/an/a



Schering-Plough Research Institute



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...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2KP84GR
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM388446
PNG
(6-(1- methylcyclopropyl)- N-(trans-4- morpholin-4-...)
Show SMILES CC1(CC1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:13.13,wD:16.20,(-3.84,3.55,;-5.33,3.95,;-4.56,5.28,;-6.1,5.28,;-5.33,2.41,;-6.66,1.64,;-6.66,.1,;-5.33,-.67,;-5.33,-2.21,;-4,-2.98,;-2.66,-2.21,;-2.66,-.67,;-1.33,.1,;0,-.67,;1.33,.1,;2.66,-.67,;2.66,-2.2,;1.33,-2.97,;0,-2.2,;4,-2.97,;4,-4.51,;5.33,-5.28,;6.66,-4.51,;6.66,-2.97,;5.33,-2.2,;-4,.1,;-4,1.64,)|
Show InChI InChI=1S/C22H30N4O/c1-22(8-9-22)16-2-7-20-19(14-16)21(24-15-23-20)25-17-3-5-18(6-4-17)26-10-12-27-13-11-26/h2,7,14-15,17-18H,3-6,8-13H2,1H3,(H,23,24,25)/t17-,18-
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n/an/a 52n/an/an/an/an/an/a



Schering-Plough Research Institute



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...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2KP84GR
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM388458
PNG
(US9943516, 4-1 | US9943516, 4-2 | US9943516, 4-3)
Show SMILES OC1CCCC(C1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:16.16,wD:19.23,(12,-2.31,;10.67,-3.08,;10.67,-4.62,;9.34,-5.39,;8,-4.62,;8,-3.08,;9.34,-2.31,;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/C24H34N4O2/c29-21-3-1-2-17(14-21)18-4-9-23-22(15-18)24(26-16-25-23)27-19-5-7-20(8-6-19)28-10-12-30-13-11-28/h4,9,15-17,19-21,29H,1-3,5-8,10-14H2,(H,25,26,27)/t17?,19-,20-,21?
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n/an/a 55n/an/an/an/an/an/a



Schering-Plough Research Institute



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...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2KP84GR
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM388454
PNG
(6-(4,4- difluorocyclohexyl)- N-(trans-4- morpholin...)
Show SMILES FC1(F)CCC(CC1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:20.24,wD:17.17,(-8.77,-.38,;-7.23,-.38,;-8,.95,;-5.89,.39,;-4.56,-.38,;-4.56,-1.92,;-5.89,-2.69,;-7.23,-1.92,;-3.23,-2.69,;-3.23,-4.23,;-1.89,-5,;-.56,-4.23,;.77,-5,;2.11,-4.23,;2.11,-2.69,;.77,-1.92,;.77,-.38,;2.11,.39,;3.44,-.38,;4.77,.39,;4.77,1.92,;3.44,2.69,;2.11,1.92,;6.1,2.69,;7.43,1.92,;8.77,2.69,;8.77,4.23,;7.43,5,;6.1,4.23,;-.56,-2.69,;-1.89,-1.92,)|
Show InChI InChI=1S/C24H32F2N4O/c25-24(26)9-7-17(8-10-24)18-1-6-22-21(15-18)23(28-16-27-22)29-19-2-4-20(5-3-19)30-11-13-31-14-12-30/h1,6,15-17,19-20H,2-5,7-14H2,(H,27,28,29)/t19-,20-
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n/an/a 71n/an/an/an/an/an/a



Schering-Plough Research Institute



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...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2KP84GR
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM388455
PNG
(N-(trans-4- morpholin-4- ylcyclohexyl)-6- (tetrahy...)
Show SMILES C1CC(CCO1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:18.22,wD:15.15,(-4,5.39,;-4,3.85,;-5.33,3.08,;-6.66,3.85,;-6.66,5.39,;-5.33,6.16,;-5.33,1.54,;-6.66,.77,;-6.66,-.77,;-5.33,-1.54,;-5.33,-3.08,;-4,-3.85,;-2.66,-3.08,;-2.66,-1.54,;-1.33,-.77,;0,-1.54,;0,-3.08,;1.33,-3.85,;2.66,-3.08,;2.66,-1.54,;1.33,-.77,;4,-3.85,;4,-5.39,;5.33,-6.16,;6.66,-5.39,;6.66,-3.85,;5.33,-3.08,;-4,-.77,;-4,.77,)|
Show InChI InChI=1S/C23H32N4O2/c1-6-22-21(15-18(1)17-7-11-28-12-8-17)23(25-16-24-22)26-19-2-4-20(5-3-19)27-9-13-29-14-10-27/h1,6,15-17,19-20H,2-5,7-14H2,(H,24,25,26)/t19-,20-
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n/an/a 91n/an/an/an/an/an/a



Schering-Plough Research Institute



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...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2KP84GR
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM388457
PNG
(4-{4-[(trans-4- morpholin-4- ylcyclohexyl)amino] q...)
Show SMILES OC(=O)C1CCC(CC1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:21.25,wD:18.18,(-9.33,-.38,;-8,.39,;-8,1.93,;-6.66,-.38,;-5.33,.39,;-4,-.38,;-4,-1.92,;-5.33,-2.69,;-6.66,-1.92,;-2.66,-2.69,;-2.66,-4.23,;-1.33,-5,;0,-4.23,;1.34,-5,;2.67,-4.23,;2.67,-2.69,;1.34,-1.92,;1.34,-.38,;2.67,.39,;4,-.38,;5.33,.39,;5.33,1.92,;4,2.69,;2.67,1.92,;6.66,2.69,;8,1.92,;9.33,2.69,;9.33,4.23,;8,5,;6.66,4.23,;0,-2.69,;-1.33,-1.92,)|
Show InChI InChI=1S/C25H34N4O3/c30-25(31)18-3-1-17(2-4-18)19-5-10-23-22(15-19)24(27-16-26-23)28-20-6-8-21(9-7-20)29-11-13-32-14-12-29/h5,10,15-18,20-21H,1-4,6-9,11-14H2,(H,30,31)(H,26,27,28)/t17?,18?,20-,21-
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n/an/a 98n/an/an/an/an/an/a



Schering-Plough Research Institute



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...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2KP84GR
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM388453
PNG
(4-{4-[(trans-4- morpholin-4- ylcyclohexyl)amino] ...)
Show SMILES N#CC1CCC(CC1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:20.24,wD:17.17,(-9.33,1.16,;-8,.39,;-6.66,-.38,;-5.33,.39,;-4,-.38,;-4,-1.92,;-5.33,-2.69,;-6.66,-1.92,;-2.66,-2.69,;-2.66,-4.23,;-1.33,-5,;0,-4.23,;1.34,-5,;2.67,-4.23,;2.67,-2.69,;1.34,-1.92,;1.34,-.38,;2.67,.39,;4,-.38,;5.33,.39,;5.33,1.92,;4,2.69,;2.67,1.92,;6.66,2.69,;8,1.92,;9.33,2.69,;9.33,4.23,;8,5,;6.66,4.23,;0,-2.69,;-1.33,-1.92,)|
Show InChI InChI=1S/C25H33N5O/c26-16-18-1-3-19(4-2-18)20-5-10-24-23(15-20)25(28-17-27-24)29-21-6-8-22(9-7-21)30-11-13-31-14-12-30/h5,10,15,17-19,21-22H,1-4,6-9,11-14H2,(H,27,28,29)/t18?,19?,21-,22-
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n/an/a 169n/an/an/an/an/an/a



Schering-Plough Research Institute



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...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2KP84GR
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM388452
PNG
(US9943516, 3-1)
Show SMILES C1COC(C1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:14.14,wD:17.21,(9.67,-4.93,;10.44,-3.6,;9.41,-2.45,;8,-3.08,;8.16,-4.61,;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/C22H30N4O2/c1-2-21(28-11-1)16-3-8-20-19(14-16)22(24-15-23-20)25-17-4-6-18(7-5-17)26-9-12-27-13-10-26/h3,8,14-15,17-18,21H,1-2,4-7,9-13H2,(H,23,24,25)/t17-,18-,21?
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n/an/a 170n/an/an/an/an/an/a



Schering-Plough Research Institute



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...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2KP84GR
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM388441
PNG
(US9943516, 1-1)
Show SMILES Cc1c(ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12)C1CC1 |r,wU:14.17,wD:11.10,(2.67,1.54,;2.67,,;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,;;-1.54,,;-.77,1.33,)|
Show InChI InChI=1S/C22H30N4O/c1-15-19(16-2-3-16)8-9-20-21(15)22(24-14-23-20)25-17-4-6-18(7-5-17)26-10-12-27-13-11-26/h8-9,14,16-18H,2-7,10-13H2,1H3,(H,23,24,25)/t17-,18-
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n/an/a 345n/an/an/an/an/an/a



Schering-Plough Research Institute



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...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q2KP84GR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%