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Patent code US10329294

Compile Data Set for Download or QSAR

Found 290 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))
BDBM50130661
PNG
(CHEMBL3634510 | US10329294, Example 162)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCCNC4)nc23)c(n1)C(F)F
Show InChI InChI=1/C18H22F2N8O/c1-27-10-13(15(26-27)16(19)20)24-18(29)12-9-22-28-7-5-14(25-17(12)28)23-11-4-2-3-6-21-8-11/h5,7,9-11,16,21H,2-4,6,8H2,1H3,(H,23,25)(H,24,29)/t11-/s2
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US Patent
n/an/a 0.200n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


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

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402709
PNG
(5-{[(1R,2S)-2- aminocyclohexyl]amino}- N-[1- cyclo...)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3cn(nc3C(F)(F)F)C3CC3)c2n1
Show InChI InChI=1S/C20H23F3N8O/c21-20(22,23)17-15(10-31(29-17)11-5-6-11)27-19(32)12-9-25-30-8-7-16(28-18(12)30)26-14-4-2-1-3-13(14)24/h7-11,13-14H,1-6,24H2,(H,26,28)(H,27,32)/t13-,14+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402545
PNG
(5-{[(1R,2S)-2- aminocyclohexyl]amino}- N-[4- (difl...)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3cscc3C(F)F)c2n1
Show InChI InChI=1S/C18H20F2N6OS/c19-16(20)11-8-28-9-14(11)24-18(27)10-7-22-26-6-5-15(25-17(10)26)23-13-4-2-1-3-12(13)21/h5-9,12-13,16H,1-4,21H2,(H,23,25)(H,24,27)/t12-,13+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402452
PNG
(N-[3-(difluoromethyl)-1- methyl-1H-pyrazol-4-yl]- ...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCC[C@H](O)C2)c(n1)C(F)F
Show InChI InChI=1S/C17H19F2N7O2/c1-24-9-12(14(23-24)15(18)19)21-17(28)11-7-20-26-6-4-13(22-16(11)26)25-5-2-3-10(27)8-25/h4,6-7,9-10,15,27H,2-3,5,8H2,1H3,(H,21,28)/t10-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402451
PNG
(N-[3-(difluoromethyl)-1- methyl-1H-pyrazol-4-yl]- ...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCC[C@@H](O)C2)c(n1)C(F)F
Show InChI InChI=1S/C17H19F2N7O2/c1-24-9-12(14(23-24)15(18)19)21-17(28)11-7-20-26-6-4-13(22-16(11)26)25-5-2-3-10(27)8-25/h4,6-7,9-10,15,27H,2-3,5,8H2,1H3,(H,21,28)/t10-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


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

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402586
PNG
(5-[(3S)- or (3R)-azepan-3- ylamino]-N-[1-methyl-3-...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCCNC4)nc23)c(n1)C(F)(F)F
Show InChI InChI=1S/C18H21F3N8O/c1-28-10-13(15(27-28)18(19,20)21)25-17(30)12-9-23-29-7-5-14(26-16(12)29)24-11-4-2-3-6-22-8-11/h5,7,9-11,22H,2-4,6,8H2,1H3,(H,24,26)(H,25,30)/t11-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402658
PNG
(5-{[(3R,4R)- or (3S,4S)-4- fluoropiperidin-3- yl]a...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CNCC[C@@H]4F)nc23)c(n1)C(F)(F)F
Show InChI InChI=1S/C17H18F4N8O/c1-28-8-12(14(27-28)17(19,20)21)25-16(30)9-6-23-29-5-3-13(26-15(9)29)24-11-7-22-4-2-10(11)18/h3,5-6,8,10-11,22H,2,4,7H2,1H3,(H,24,26)(H,25,30)/t10-,11-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM50130689
PNG
(CHEMBL3634506 | US10329294, Example 91)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCNC4)nc23)c(n1)C(F)F
Show InChI InChI=1/C17H20F2N8O/c1-26-9-12(14(25-26)15(18)19)23-17(28)11-8-21-27-6-4-13(24-16(11)27)22-10-3-2-5-20-7-10/h4,6,8-10,15,20H,2-3,5,7H2,1H3,(H,22,24)(H,23,28)/t10-/s2
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402677
PNG
(5-[(3R,5R)-3-amino- 5-fluoropiperidin-1- yl]-N-[3-...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@H](N)C[C@@H](F)C2)c(n1)C(F)F
Show InChI InChI=1S/C17H19F3N8O/c1-26-8-12(14(25-26)15(19)20)23-17(29)11-5-22-28-3-2-13(24-16(11)28)27-6-9(18)4-10(21)7-27/h2-3,5,8-10,15H,4,6-7,21H2,1H3,(H,23,29)/t9-,10-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402667
PNG
(N-[(R or S)-3- (difluoromethyl)-1- methyl-1H-pyraz...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CNCCC4(F)F)nc23)c(n1)C(F)F
Show InChI InChI=1S/C17H18F4N8O/c1-28-8-10(13(27-28)14(18)19)24-16(30)9-6-23-29-5-2-12(26-15(9)29)25-11-7-22-4-3-17(11,20)21/h2,5-6,8,11,14,22H,3-4,7H2,1H3,(H,24,30)(H,25,26)/t11-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402606
PNG
(5-[(4R)- or (4S)-(5-amino- 3,3-difluoropiperidin-1...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@@H](N)CC(F)(F)C2)c(n1)C(F)F
Show InChI InChI=1S/C17H18F4N8O/c1-27-7-11(13(26-27)14(18)19)24-16(30)10-5-23-29-3-2-12(25-15(10)29)28-6-9(22)4-17(20,21)8-28/h2-3,5,7,9,14H,4,6,8,22H2,1H3,(H,24,30)/t9-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402630
PNG
(5-{[(1S,2R)- or (1R,2S)-2- amino-5,5- difluorocycl...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CC(F)(F)CC[C@H]4N)nc23)c(n1)C(F)(F)F
Show InChI InChI=1S/C18H19F5N8O/c1-30-8-12(14(29-30)18(21,22)23)27-16(32)9-7-25-31-5-3-13(28-15(9)31)26-11-6-17(19,20)4-2-10(11)24/h3,5,7-8,10-11H,2,4,6,24H2,1H3,(H,26,28)(H,27,32)/t10-,11+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402668
PNG
(5-[(R or S)-(4,4- difluoropiperidin-3- yl)amino]-N...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CNCCC4(F)F)nc23)c(n1)C(F)(F)F
Show InChI InChI=1S/C17H17F5N8O/c1-29-8-10(13(28-29)17(20,21)22)25-15(31)9-6-24-30-5-2-12(27-14(9)30)26-11-7-23-4-3-16(11,18)19/h2,5-6,8,11,23H,3-4,7H2,1H3,(H,25,31)(H,26,27)/t11-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402684
PNG
(N-[3-(difluoromethyl)- 1-methyl-1H-pyrazol-4- yl]-...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CNC[C@H](F)C4)nc23)c(n1)C(F)F
Show InChI InChI=1S/C17H19F3N8O/c1-27-8-12(14(26-27)15(19)20)24-17(29)11-7-22-28-3-2-13(25-16(11)28)23-10-4-9(18)5-21-6-10/h2-3,7-10,15,21H,4-6H2,1H3,(H,23,25)(H,24,29)/t9-,10-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402516
PNG
(5-[(3R)-3-aminopiperidin- 1-yl]-N-[3- (difluoromet...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCC[C@@H](N)C2)c(n1)C(F)F
Show InChI InChI=1S/C17H20F2N8O/c1-25-9-12(14(24-25)15(18)19)22-17(28)11-7-21-27-6-4-13(23-16(11)27)26-5-2-3-10(20)8-26/h4,6-7,9-10,15H,2-3,5,8,20H2,1H3,(H,22,28)/t10-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM50130684
PNG
(CHEMBL3634502 | US10329294, Example 9)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCNC4)nc23)c(n1)C(F)(F)F
Show InChI InChI=1/C17H19F3N8O/c1-27-9-12(14(26-27)17(18,19)20)24-16(29)11-8-22-28-6-4-13(25-15(11)28)23-10-3-2-5-21-7-10/h4,6,8-10,21H,2-3,5,7H2,1H3,(H,23,25)(H,24,29)/t10-/s2
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM50130664
PNG
(CHEMBL3634512 | US10329294, Example 149)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(Cl)n1
Show InChI InChI=1/C17H21ClN8O/c1-25-9-13(15(18)24-25)22-17(27)10-8-20-26-7-6-14(23-16(10)26)21-12-5-3-2-4-11(12)19/h6-9,11-12H,2-5,19H2,1H3,(H,21,23)(H,22,27)/t11-,12+/s2
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402605
PNG
(5-[(3S,4R)- or (3R,4S)-3- amino-4-fluoropiperidin-...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC[C@H](F)[C@H](N)C2)c(n1)C(F)F
Show InChI InChI=1S/C17H19F3N8O/c1-26-8-12(14(25-26)15(19)20)23-17(29)9-6-22-28-5-3-13(24-16(9)28)27-4-2-10(18)11(21)7-27/h3,5-6,8,10-11,15H,2,4,7,21H2,1H3,(H,23,29)/t10-,11+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402654
PNG
(5-(3,8- diazabicyclo[3.2.1]oct- 8-yl)-N-[3- (diflu...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C3CCC2CNC3)c(n1)C(F)F
Show InChI InChI=1S/C18H20F2N8O/c1-26-9-13(15(25-26)16(19)20)23-18(29)12-8-22-27-5-4-14(24-17(12)27)28-10-2-3-11(28)7-21-6-10/h4-5,8-11,16,21H,2-3,6-7H2,1H3,(H,23,29)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402681
PNG
(N-[3-(difluoromethyl)- 1-methyl-1H-pyrazol-4- yl]-...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CNC[C@@H](F)C4)nc23)c(n1)C(F)F
Show InChI InChI=1S/C17H19F3N8O/c1-27-8-12(14(26-27)15(19)20)24-17(29)11-7-22-28-3-2-13(25-16(11)28)23-10-4-9(18)5-21-6-10/h2-3,7-10,15,21H,4-6H2,1H3,(H,23,25)(H,24,29)/t9-,10+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402655
PNG
(5-{[(3R,4S)- or (3S,4R)-4- fluoropiperidin-3- yl]a...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CNCC[C@@H]4F)nc23)c(n1)C(F)(F)F
Show InChI InChI=1S/C17H18F4N8O/c1-28-8-12(14(27-28)17(19,20)21)25-16(30)9-6-23-29-5-3-13(26-15(9)29)24-11-7-22-4-2-10(11)18/h3,5-6,8,10-11,22H,2,4,7H2,1H3,(H,24,26)(H,25,30)/t10-,11+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402659
PNG
(N-[3-(difluoromethyl)- 1-methyl-1H-pyrazol- 4-yl]-...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(NC4CNCCC4F)nc23)c(n1)C(F)F
Show InChI InChI=1S/C17H19F3N8O/c1-27-8-12(14(26-27)15(19)20)24-17(29)9-6-22-28-5-3-13(25-16(9)28)23-11-7-21-4-2-10(11)18/h3,5-6,8,10-11,15,21H,2,4,7H2,1H3,(H,23,25)(H,24,29)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402659
PNG
(N-[3-(difluoromethyl)- 1-methyl-1H-pyrazol- 4-yl]-...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(NC4CNCCC4F)nc23)c(n1)C(F)F
Show InChI InChI=1S/C17H19F3N8O/c1-27-8-12(14(26-27)15(19)20)24-17(29)9-6-22-28-5-3-13(25-16(9)28)23-11-7-21-4-2-10(11)18/h3,5-6,8,10-11,15,21H,2,4,7H2,1H3,(H,23,25)(H,24,29)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402680
PNG
(5-{[(3R,5S)-5- fluoropiperidin-3- yl]amino}-N-[1-m...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CNC[C@@H](F)C4)nc23)c(n1)C(F)(F)F
Show InChI InChI=1S/C17H18F4N8O/c1-28-8-12(14(27-28)17(19,20)21)25-16(30)11-7-23-29-3-2-13(26-15(11)29)24-10-4-9(18)5-22-6-10/h2-3,7-10,22H,4-6H2,1H3,(H,24,26)(H,25,30)/t9-,10+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402675
PNG
(5-[(3R,5S)-3-amino- 5-fluoropiperidin-1- yl]-N-[3-...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@H](N)C[C@H](F)C2)c(n1)C(F)F
Show InChI InChI=1S/C17H19F3N8O/c1-26-8-12(14(25-26)15(19)20)23-17(29)11-5-22-28-3-2-13(24-16(11)28)27-6-9(18)4-10(21)7-27/h2-3,5,8-10,15H,4,6-7,21H2,1H3,(H,23,29)/t9-,10+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402660
PNG
(N-[3-(difluoromethyl)- 1-methyl-1H-pyrazol- 4-yl]-...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CNCC(F)(F)C4)nc23)c(n1)C(F)F
Show InChI InChI=1S/C17H18F4N8O/c1-28-7-11(13(27-28)14(18)19)25-16(30)10-6-23-29-3-2-12(26-15(10)29)24-9-4-17(20,21)8-22-5-9/h2-3,6-7,9,14,22H,4-5,8H2,1H3,(H,24,26)(H,25,30)/t9-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402707
PNG
(5-{[(1R,2S)-2- aminocyclohexyl]amino}- N-[1-(1- me...)
Show SMILES CC(C)n1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)(F)F
Show InChI InChI=1S/C20H25F3N8O/c1-11(2)31-10-15(17(29-31)20(21,22)23)27-19(32)12-9-25-30-8-7-16(28-18(12)30)26-14-6-4-3-5-13(14)24/h7-11,13-14H,3-6,24H2,1-2H3,(H,26,28)(H,27,32)/t13-,14+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM50095473
PNG
(CHEMBL3590477 | US10329294, Example 282)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C#N
Show InChI InChI=1/C18H21N9O/c1-26-10-15(14(8-19)25-26)23-18(28)11-9-21-27-7-6-16(24-17(11)27)22-13-5-3-2-4-12(13)20/h6-7,9-10,12-13H,2-5,20H2,1H3,(H,22,24)(H,23,28)/t12-,13+/s2
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM50095534
PNG
(CHEMBL3590516 | US10329294, Example 252)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@H](N)C[C@@H](F)C2)c(n1)C(F)(F)F
Show InChI InChI=1/C17H18F4N8O/c1-27-8-12(14(26-27)17(19,20)21)24-16(30)11-5-23-29-3-2-13(25-15(11)29)28-6-9(18)4-10(22)7-28/h2-3,5,8-10H,4,6-7,22H2,1H3,(H,24,30)/t9-,10-/s2
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402708
PNG
(5-{[(1R,2S)-2- aminocyclohexyl]amino}- N-[1-(2,2- ...)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3cn(CC(F)F)nc3C(F)(F)F)c2n1
Show InChI InChI=1S/C19H21F5N8O/c20-14(21)9-31-8-13(16(30-31)19(22,23)24)28-18(33)10-7-26-32-6-5-15(29-17(10)32)27-12-4-2-1-3-11(12)25/h5-8,11-12,14H,1-4,9,25H2,(H,27,29)(H,28,33)/t11-,12+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM50095532
PNG
(CHEMBL3590515 | US10329294, Example 173)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@H](N)CC(F)(F)C2)c(n1)C(F)F
Show InChI InChI=1/C17H18F4N8O/c1-27-7-11(13(26-27)14(18)19)24-16(30)10-5-23-29-3-2-12(25-15(10)29)28-6-9(22)4-17(20,21)8-28/h2-3,5,7,9,14H,4,6,8,22H2,1H3,(H,24,30)/t9-/s2
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402717
PNG
(5-{[(1R,2S)-2- aminocyclohexyl]amino}- N-[3- (trif...)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3c[nH]nc3C(F)(F)F)c2n1
Show InChI InChI=1/C17H19F3N8O/c18-17(19,20)14-12(8-22-27-14)25-16(29)9-7-23-28-6-5-13(26-15(9)28)24-11-4-2-1-3-10(11)21/h5-8,10-11H,1-4,21H2,(H,22,27)(H,24,26)(H,25,29)/t10-,11+/s2
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402449
PNG
(5-[(3R)-3- hydroxypiperidin-1-yl]-N- [1-methyl-3- ...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCC[C@@H](O)C2)c(n1)C(F)(F)F
Show InChI InChI=1S/C17H18F3N7O2/c1-25-9-12(14(24-25)17(18,19)20)22-16(29)11-7-21-27-6-4-13(23-15(11)27)26-5-2-3-10(28)8-26/h4,6-7,9-10,28H,2-3,5,8H2,1H3,(H,22,29)/t10-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402468
PNG
(5-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(2-cyanot...)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3ccsc3C#N)c2n1
Show InChI InChI=1S/C18H19N7OS/c19-9-15-14(6-8-27-15)23-18(26)11-10-21-25-7-5-16(24-17(11)25)22-13-4-2-1-3-12(13)20/h5-8,10,12-13H,1-4,20H2,(H,22,24)(H,23,26)/t12-,13+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402502
PNG
(5-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(4-bromot...)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3cscc3Br)c2n1
Show InChI InChI=1S/C17H19BrN6OS/c18-11-8-26-9-14(11)22-17(25)10-7-20-24-6-5-15(23-16(10)24)21-13-4-2-1-3-12(13)19/h5-9,12-13H,1-4,19H2,(H,21,23)(H,22,25)/t12-,13+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM50095514
PNG
(CHEMBL3590491 | US10329294, Example 205)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCC(F)(F)C[C@@H]4N)nc23)c(n1)C(F)(F)F
Show InChI InChI=1/C18H19F5N8O/c1-30-8-12(14(29-30)18(21,22)23)27-16(32)9-7-25-31-5-3-13(28-15(9)31)26-11-2-4-17(19,20)6-10(11)24/h3,5,7-8,10-11H,2,4,6,24H2,1H3,(H,26,28)(H,27,32)/t10-,11+/s2
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Merck Sharp & Dohme Corp.

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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402672
PNG
(5-[(3S,5S)-3-amino- 5-fluoropiperidin-1- yl]-N-[3-...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@@H](N)C[C@H](F)C2)c(n1)C(F)F
Show InChI InChI=1S/C17H19F3N8O/c1-26-8-12(14(25-26)15(19)20)23-17(29)11-5-22-28-3-2-13(24-16(11)28)27-6-9(18)4-10(21)7-27/h2-3,5,8-10,15H,4,6-7,21H2,1H3,(H,23,29)/t9-,10-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402710
PNG
(5-{[(1R,2S)-2- aminocyclohexyl]amino}- N-[1-tert-b...)
Show SMILES CC(C)(C)n1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)(F)F
Show InChI InChI=1S/C21H27F3N8O/c1-20(2,3)32-11-15(17(30-32)21(22,23)24)28-19(33)12-10-26-31-9-8-16(29-18(12)31)27-14-7-5-4-6-13(14)25/h8-11,13-14H,4-7,25H2,1-3H3,(H,27,29)(H,28,33)/t13-,14+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM50095535
PNG
(CHEMBL3590517 | US10329294, Example 177)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC[C@H](F)[C@@H](N)C2)c(n1)C(F)(F)F
Show InChI InChI=1/C17H18F4N8O/c1-27-8-12(14(26-27)17(19,20)21)24-16(30)9-6-23-29-5-3-13(25-15(9)29)28-4-2-10(18)11(22)7-28/h3,5-6,8,10-11H,2,4,7,22H2,1H3,(H,24,30)/t10-,11-/s2
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402594
PNG
(5-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(4-chloro...)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3cscc3Cl)c2n1
Show InChI InChI=1S/C17H19ClN6OS/c18-11-8-26-9-14(11)22-17(25)10-7-20-24-6-5-15(23-16(10)24)21-13-4-2-1-3-12(13)19/h5-9,12-13H,1-4,19H2,(H,21,23)(H,22,25)/t12-,13+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402542
PNG
(5-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(2-chloro...)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3ccsc3Cl)c2n1
Show InChI InChI=1S/C17H19ClN6OS/c18-15-13(6-8-26-15)22-17(25)10-9-20-24-7-5-14(23-16(10)24)21-12-4-2-1-3-11(12)19/h5-9,11-12H,1-4,19H2,(H,21,23)(H,22,25)/t11-,12+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402530
PNG
(5-{[(1R,2)S-2- aminocyclohexyl]amino}- N-(2- chlor...)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3ccccc3Cl)c2n1
Show InChI InChI=1S/C19H21ClN6O/c20-13-5-1-3-7-15(13)24-19(27)12-11-22-26-10-9-17(25-18(12)26)23-16-8-4-2-6-14(16)21/h1,3,5,7,9-11,14,16H,2,4,6,8,21H2,(H,23,25)(H,24,27)/t14-,16+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM50095505
PNG
(CHEMBL3590488 | US10329294, Example 88)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCC2)c(n1)C(F)F
Show InChI InChI=1S/C16H18F2N8O/c1-24-9-11(13(23-24)14(17)18)21-16(27)10-8-20-26-5-2-12(22-15(10)26)25-6-3-19-4-7-25/h2,5,8-9,14,19H,3-4,6-7H2,1H3,(H,21,27)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402636
PNG
(5-{[(1S,2R)- or (1R,2S)-2- amino-5,5- difluorocycl...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CC(F)(F)CC[C@H]4N)nc23)c(n1)C(F)F
Show InChI InChI=1S/C18H20F4N8O/c1-29-8-12(14(28-29)15(19)20)26-17(31)9-7-24-30-5-3-13(27-16(9)30)25-11-6-18(21,22)4-2-10(11)23/h3,5,7-8,10-11,15H,2,4,6,23H2,1H3,(H,25,27)(H,26,31)/t10-,11+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402673
PNG
(5-[(3S,5R)-3-amino- 5-fluoropiperidin-1- yl]-N-[3-...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@@H](N)C[C@@H](F)C2)c(n1)C(F)F
Show InChI InChI=1S/C17H19F3N8O/c1-26-8-12(14(25-26)15(19)20)23-17(29)11-5-22-28-3-2-13(24-16(11)28)27-6-9(18)4-10(21)7-27/h2-3,5,8-10,15H,4,6-7,21H2,1H3,(H,23,29)/t9-,10+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402598
PNG
(5-(3,8- diazabicyclo[3.2.1]oct-3- yl)-N-[3-(difluo...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC3CCC(C2)N3)c(n1)C(F)F
Show InChI InChI=1S/C18H20F2N8O/c1-26-9-13(15(25-26)16(19)20)23-18(29)12-6-21-28-5-4-14(24-17(12)28)27-7-10-2-3-11(8-27)22-10/h4-6,9-11,16,22H,2-3,7-8H2,1H3,(H,23,29)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402711
PNG
(5-{[(1R,2S)-2- aminocyclohexyl]amino}- N-[1-(2,2,2...)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3cn(CC(F)(F)F)nc3C(F)(F)F)c2n1
Show InChI InChI=1S/C19H20F6N8O/c20-18(21,22)9-32-8-13(15(31-32)19(23,24)25)29-17(34)10-7-27-33-6-5-14(30-16(10)33)28-12-4-2-1-3-11(12)26/h5-8,11-12H,1-4,9,26H2,(H,28,30)(H,29,34)/t11-,12+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

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


(Homo sapiens (Human))
BDBM402600
PNG
(5-[(3R,4S)- or (3S,4R)-3- amino-4-fluoropiperidin-...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC[C@H](F)[C@H](N)C2)c(n1)C(F)(F)F
Show InChI InChI=1S/C17H18F4N8O/c1-27-8-12(14(26-27)17(19,20)21)24-16(30)9-6-23-29-5-3-13(25-15(9)29)28-4-2-10(18)11(22)7-28/h3,5-6,8,10-11H,2,4,7,22H2,1H3,(H,24,30)/t10-,11+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10329294 (2019)

More data for this
Ligand-Target Pair
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