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Patent code US10155765

Compile Data Set for Download or QSAR
Found 66 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))
BDBM50095470
PNG
(CHEMBL3590474 | US10155765, Example 9)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(N)=O
Show InChI InChI=1S/C21H25N3O/c1-23(2)14-9-15-25-21-16-20(19-12-7-4-8-13-19)24(22-21)17-18-10-5-3-6-11-18/h3-8,10-13,16H,9,14-15,17H2,1-2H3
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Patents

US Patent
n/an/a 0.400n/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311516
PNG
(5-{[(3R,4R)-3- aminotetrahydro-2H- pyran-4-yl]amin...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCOC[C@@H]4N)nc23)c(n1)C(N)=O
Show InChI InChI=1S/C17H21N9O3/c1-25-7-12(14(24-25)15(19)27)22-17(28)9-6-20-26-4-2-13(23-16(9)26)21-11-3-5-29-8-10(11)18/h2,4,6-7,10-11H,3,5,8,18H2,1H3,(H2,19,27)(H,21,23)(H,22,28)/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM312059
PNG
(5-{[(1R,2S)-2-Aminocyclohexyl]amino}-N-(3-carbamoy...)
Show SMILES CCn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(N)=O
Show InChI InChI=1S/C19H25N9O2/c1-2-27-10-14(16(26-27)17(21)29)24-19(30)11-9-22-28-8-7-15(25-18(11)28)23-13-6-4-3-5-12(13)20/h7-10,12-13H,2-6,20H2,1H3,(H2,21,29)(H,23,25)(H,24,30)/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311563
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(3-carbam...)
Show SMILES Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(N)=O
Show InChI InChI=1S/C18H23N9O2/c1-26-9-13(15(24-26)16(20)28)22-17(29)14-7-6-10-8-21-18(25-27(10)14)23-12-5-3-2-4-11(12)19/h6-9,11-12H,2-5,19H2,1H3,(H2,20,28)(H,22,29)(H,23,25)/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311525
PNG
(5-[(2- aminoethyl)amino]-N- (3-carbamoyl-1-pyridin...)
Show SMILES NCCNc1ccn2ncc(C(=O)Nc3cn(nc3C(N)=O)-c3cccnc3)c2n1
Show InChI InChI=1S/C18H18N10O2/c19-4-6-22-14-3-7-27-17(25-14)12(9-23-27)18(30)24-13-10-28(26-15(13)16(20)29)11-2-1-5-21-8-11/h1-3,5,7-10H,4,6,19H2,(H2,20,29)(H,22,25)(H,24,30)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311520
PNG
(5-{[cis-2- aminocyclohexyl]amino}- N-(3-carbamoyl-...)
Show SMILES N[C@@H]1CCCC[C@@H]1Nc1ccn2ncc(C(=O)Nc3cn(nc3C(N)=O)-c3cccnc3)c2n1
Show InChI InChI=1S/C22H24N10O2/c23-15-5-1-2-6-16(15)27-18-7-9-31-21(29-18)14(11-26-31)22(34)28-17-12-32(30-19(17)20(24)33)13-4-3-8-25-10-13/h3-4,7-12,15-16H,1-2,5-6,23H2,(H2,24,33)(H,27,29)(H,28,34)/t15-,16+/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM312068
PNG
(2-[(2-Aminoethyl)amino]-N-(3-carbamoyl-1-methyl-1H...)
Show SMILES Cn1cc(NC(=O)c2ccc3cnc(NCCN)nn23)c(n1)C(N)=O
Show InChI InChI=1S/C14H17N9O2/c1-22-7-9(11(20-22)12(16)24)19-13(25)10-3-2-8-6-18-14(17-5-4-15)21-23(8)10/h2-3,6-7H,4-5,15H2,1H3,(H2,16,24)(H,17,21)(H,19,25)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311534
PNG
(5-{[(1R,2S)-2- aminocyclohexyl]amino}- N-[3-carbam...)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3cn(CCO)nc3C(N)=O)c2n1
Show InChI InChI=1S/C19H25N9O3/c20-12-3-1-2-4-13(12)23-15-5-6-28-18(25-15)11(9-22-28)19(31)24-14-10-27(7-8-29)26-16(14)17(21)30/h5-6,9-10,12-13,29H,1-4,7-8,20H2,(H2,21,30)(H,23,25)(H,24,31)/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311533
PNG
(5-{[(1R,2S)-2- aminocyclohexyl]amino}- N-[3-carbam...)
Show SMILES CC(C)n1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(N)=O
Show InChI InChI=1S/C20H27N9O2/c1-11(2)29-10-15(17(27-29)18(22)30)25-20(31)12-9-23-28-8-7-16(26-19(12)28)24-14-6-4-3-5-13(14)21/h7-11,13-14H,3-6,21H2,1-2H3,(H2,22,30)(H,24,26)(H,25,31)/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311564
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(3-carbam...)
Show SMILES CCn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(N)=O
Show InChI InChI=1S/C19H25N9O2/c1-2-27-10-14(16(25-27)17(21)29)23-18(30)15-8-7-11-9-22-19(26-28(11)15)24-13-6-4-3-5-12(13)20/h7-10,12-13H,2-6,20H2,1H3,(H2,21,29)(H,23,30)(H,24,26)/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311527
PNG
(5-[(2- aminocycloheptyl)amino]- N-(3-carbamoyl-1- ...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(NC4CCCCCC4N)nc23)c(n1)C(N)=O
Show InChI InChI=1S/C19H25N9O2/c1-27-10-14(16(26-27)17(21)29)24-19(30)11-9-22-28-8-7-15(25-18(11)28)23-13-6-4-2-3-5-12(13)20/h7-10,12-13H,2-6,20H2,1H3,(H2,21,29)(H,23,25)(H,24,30)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM50095465
PNG
(CHEMBL3590438 | US10155765, Example 28)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(NCCN)nc23)c(n1)C(N)=O
Show InChI InChI=1S/C14H17N9O2/c1-22-7-9(11(21-22)12(16)24)19-14(25)8-6-18-23-5-2-10(17-4-3-15)20-13(8)23/h2,5-7H,3-4,15H2,1H3,(H2,16,24)(H,17,20)(H,19,25)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM312056
PNG
(5-{[cis-2-Aminocyclohexyl]amino}-N-[3-carbamoyl-1-...)
Show SMILES CN1CCC(CC1)n1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCC[C@H]4N)nc23)c(n1)C(N)=O
Show InChI InChI=1S/C23H32N10O2/c1-31-9-6-14(7-10-31)33-13-18(20(30-33)21(25)34)28-23(35)15-12-26-32-11-8-19(29-22(15)32)27-17-5-3-2-4-16(17)24/h8,11-14,16-17H,2-7,9-10,24H2,1H3,(H2,25,34)(H,27,29)(H,28,35)/t16-,17+/m1/s1
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM312055
PNG
(5-{[cis-2-Aminocyclohexyl]amino}-N-{3-carbamoyl-1-...)
Show SMILES CS(=O)(=O)N1CCC(CC1)n1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCC[C@H]4N)nc23)c(n1)C(N)=O
Show InChI InChI=1S/C23H32N10O4S/c1-38(36,37)31-9-6-14(7-10-31)33-13-18(20(30-33)21(25)34)28-23(35)15-12-26-32-11-8-19(29-22(15)32)27-17-5-3-2-4-16(17)24/h8,11-14,16-17H,2-7,9-10,24H2,1H3,(H2,25,34)(H,27,29)(H,28,35)/t16-,17+/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311561
PNG
(2-[(2- aminoethyl)amino]-N- [3-carbamoyl-1-(2- hyd...)
Show SMILES NCCNc1ncc2ccc(C(=O)Nc3cn(CCO)nc3C(N)=O)n2n1
Show InChI InChI=1S/C15H19N9O3/c16-3-4-18-15-19-7-9-1-2-11(24(9)22-15)14(27)20-10-8-23(5-6-25)21-12(10)13(17)26/h1-2,7-8,25H,3-6,16H2,(H2,17,26)(H,18,22)(H,20,27)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311536
PNG
(5-{[(1R,2S)-2- aminocyclohexyl]amino}- N-{3-carbam...)
Show SMILES CN1CCCC(Cn2cc(NC(=O)c3cnn4ccc(N[C@@H]5CCCC[C@@H]5N)nc34)c(n2)C(N)=O)C1
Show InChI InChI=1S/C24H34N10O2/c1-32-9-4-5-15(12-32)13-33-14-19(21(31-33)22(26)35)29-24(36)16-11-27-34-10-8-20(30-23(16)34)28-18-7-3-2-6-17(18)25/h8,10-11,14-15,17-18H,2-7,9,12-13,25H2,1H3,(H2,26,35)(H,28,30)(H,29,36)/t15?,17-,18+/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311535
PNG
(5-{[(1R,2S)-2- aminocyclohexyl]amino}- N-[3-carbam...)
Show SMILES COCCn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(N)=O
Show InChI InChI=1S/C20H27N9O3/c1-32-9-8-28-11-15(17(27-28)18(22)30)25-20(31)12-10-23-29-7-6-16(26-19(12)29)24-14-5-3-2-4-13(14)21/h6-7,10-11,13-14H,2-5,8-9,21H2,1H3,(H2,22,30)(H,24,26)(H,25,31)/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311562
PNG
(2-[(2- aminoethyl)amino]-N- [1-methyl-3- (methylca...)
Show SMILES CNC(=O)c1nn(C)cc1NC(=O)c1ccc2cnc(NCCN)nn12
Show InChI InChI=1S/C15H19N9O2/c1-17-14(26)12-10(8-23(2)21-12)20-13(25)11-4-3-9-7-19-15(18-6-5-16)22-24(9)11/h3-4,7-8H,5-6,16H2,1-2H3,(H,17,26)(H,18,22)(H,20,25)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311565
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-[3-carbam...)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ncc2ccc(C(=O)Nc3cn(CCO)nc3C(N)=O)n2n1
Show InChI InChI=1S/C19H25N9O3/c20-12-3-1-2-4-13(12)24-19-22-9-11-5-6-15(28(11)26-19)18(31)23-14-10-27(7-8-29)25-16(14)17(21)30/h5-6,9-10,12-13,29H,1-4,7-8,20H2,(H2,21,30)(H,23,31)(H,24,26)/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM312060
PNG
(5-{[(1R,2S)-2-Aminocyclohexyl]amino}-N-[1-(2-amino...)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3cn(CC(N)=O)nc3C(N)=O)c2n1
Show InChI InChI=1S/C19H24N10O3/c20-11-3-1-2-4-12(11)24-15-5-6-29-18(26-15)10(7-23-29)19(32)25-13-8-28(9-14(21)30)27-16(13)17(22)31/h5-8,11-12H,1-4,9,20H2,(H2,21,30)(H2,22,31)(H,24,26)(H,25,32)/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311532
PNG
(5-{[cis-2- aminocyclohexyl]amino}- N-{3-carbamoyl-...)
Show SMILES CS(=O)(=O)N1CCCC(C1)n1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCC[C@H]4N)nc23)c(n1)C(N)=O
Show InChI InChI=1S/C23H32N10O4S/c1-38(36,37)31-9-4-5-14(12-31)33-13-18(20(30-33)21(25)34)28-23(35)15-11-26-32-10-8-19(29-22(15)32)27-17-7-3-2-6-16(17)24/h8,10-11,13-14,16-17H,2-7,9,12,24H2,1H3,(H2,25,34)(H,27,29)(H,28,35)/t14?,16-,17+/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM312061
PNG
(N-{3-Carbamoyl-1-[4-(methylsulfamoyl)phenyl]-1H-py...)
Show SMILES CNS(=O)(=O)c1ccc(cc1)-n1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCC2)c(n1)C(N)=O
Show InChI InChI=1S/C22H24N10O4S/c1-24-37(35,36)15-4-2-14(3-5-15)32-13-17(19(29-32)20(23)33)27-22(34)16-12-26-31-9-6-18(28-21(16)31)30-10-7-25-8-11-30/h2-6,9,12-13,24-25H,7-8,10-11H2,1H3,(H2,23,33)(H,27,34)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311518
PNG
(5-{[cis-3-amino-1,1- dioxidotetrahydro-2H- thiopyr...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CCS(=O)(=O)C[C@H]4N)nc23)c(n1)C(N)=O
Show InChI InChI=1S/C17H21N9O4S/c1-25-7-12(14(24-25)15(19)27)22-17(28)9-6-20-26-4-2-13(23-16(9)26)21-11-3-5-31(29,30)8-10(11)18/h2,4,6-7,10-11H,3,5,8,18H2,1H3,(H2,19,27)(H,21,23)(H,22,28)/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311568
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-[3-carbam...)
Show SMILES COCCn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(N)=O
Show InChI InChI=1S/C20H27N9O3/c1-32-9-8-28-11-15(17(26-28)18(22)30)24-19(31)16-7-6-12-10-23-20(27-29(12)16)25-14-5-3-2-4-13(14)21/h6-7,10-11,13-14H,2-5,8-9,21H2,1H3,(H2,22,30)(H,24,31)(H,25,27)/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM50095468
PNG
(CHEMBL3590473 | US10155765, Example 7)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCC[C@H]4N)nc23)c(n1)C(N)=O
Show InChI InChI=1S/C15H21N3O/c1-18(2)9-6-10-19-15-12-14(16-17-15)11-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,16,17)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311566
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-[1-methyl...)
Show SMILES CNC(=O)c1nn(C)cc1NC(=O)c1ccc2cnc(N[C@@H]3CCCC[C@@H]3N)nn12
Show InChI InChI=1S/C19H25N9O2/c1-21-18(30)16-14(10-27(2)25-16)23-17(29)15-8-7-11-9-22-19(26-28(11)15)24-13-6-4-3-5-12(13)20/h7-10,12-13H,3-6,20H2,1-2H3,(H,21,30)(H,23,29)(H,24,26)/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311519
PNG
(5-{[cis-4-amino-1,1- dioxidotetrahydro-2H- thiopyr...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CS(=O)(=O)CC[C@H]4N)nc23)c(n1)C(N)=O
Show InChI InChI=1S/C17H21N9O4S/c1-25-7-11(14(24-25)15(19)27)22-17(28)9-6-20-26-4-2-13(23-16(9)26)21-12-8-31(29,30)5-3-10(12)18/h2,4,6-7,10,12H,3,5,8,18H2,1H3,(H2,19,27)(H,21,23)(H,22,28)/t10-,12+/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311530
PNG
(5-{[cis-2- aminocyclohexyl]amino}- N-[1-methyl-3- ...)
Show SMILES CNC(=O)c1nn(C)cc1NC(=O)c1cnn2ccc(N[C@H]3CCCC[C@H]3N)nc12
Show InChI InChI=1S/C19H25N9O2/c1-21-19(30)16-14(10-27(2)26-16)24-18(29)11-9-22-28-8-7-15(25-17(11)28)23-13-6-4-3-5-12(13)20/h7-10,12-13H,3-6,20H2,1-2H3,(H,21,30)(H,23,25)(H,24,29)/t12-,13+/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311522
PNG
(5-{[trans-2- aminocyclohexyl]amino}- N-(3-carbamoy...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@H]4N)nc23)c(n1)C(N)=O
Show InChI InChI=1S/C18H23N9O2/c1-26-9-13(15(25-26)16(20)28)23-18(29)10-8-21-27-7-6-14(24-17(10)27)22-12-5-3-2-4-11(12)19/h6-9,11-12H,2-5,19H2,1H3,(H2,20,28)(H,22,24)(H,23,29)/t11-,12-/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311524
PNG
(5-{[cis-2- aminocyclohexyl]amino}- N-[3-carbamoyl-...)
Show SMILES CN1CCCC(C1)n1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCC[C@H]4N)nc23)c(n1)C(N)=O
Show InChI InChI=1S/C23H32N10O2/c1-31-9-4-5-14(12-31)33-13-18(20(30-33)21(25)34)28-23(35)15-11-26-32-10-8-19(29-22(15)32)27-17-7-3-2-6-16(17)24/h8,10-11,13-14,16-17H,2-7,9,12,24H2,1H3,(H2,25,34)(H,27,29)(H,28,35)/t14?,16-,17+/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311543
PNG
(N-(3-carbamoyl-1-pyridin-4- yl-1H-pyrazol-4-yl)-5-...)
Show SMILES NC(=O)c1nn(cc1NC(=O)c1cnn2ccc(nc12)N1CCNCC1)-c1ccncc1
Show InChI InChI=1S/C20H20N10O2/c21-18(31)17-15(12-30(27-17)13-1-4-22-5-2-13)25-20(32)14-11-24-29-8-3-16(26-19(14)29)28-9-6-23-7-10-28/h1-5,8,11-12,23H,6-7,9-10H2,(H2,21,31)(H,25,32)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311547
PNG
(N-(3-carbamoyl-1-methyl- 1H-pyrazol-4-yl)pyrrolo[1...)
Show SMILES Cn1cc(NC(=O)c2ccc3cccnn23)c(n1)C(N)=O
Show InChI InChI=1S/C13H12N6O2/c1-18-7-9(11(17-18)12(14)20)16-13(21)10-5-4-8-3-2-6-15-19(8)10/h2-7H,1H3,(H2,14,20)(H,16,21)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM312054
PNG
(5-(((3R,4R)-4-Aminotetrahydro-2H-pyran-3-yl)amino)...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4COCC[C@H]4N)nc23)c(n1)C(N)=O
Show InChI InChI=1S/C17H21N9O3/c1-25-7-11(14(24-25)15(19)27)22-17(28)9-6-20-26-4-2-13(23-16(9)26)21-12-8-29-5-3-10(12)18/h2,4,6-7,10,12H,3,5,8,18H2,1H3,(H2,19,27)(H,21,23)(H,22,28)/t10-,12+/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311517
PNG
(5-{[(1R,2R)-2-amino- 3,3- difluorocyclohexyl]amino...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nc23)c(n1)C(N)=O
Show InChI InChI=1S/C18H21F2N9O2/c1-28-8-11(13(27-28)15(22)30)25-17(31)9-7-23-29-6-4-12(26-16(9)29)24-10-3-2-5-18(19,20)14(10)21/h4,6-8,10,14H,2-3,5,21H2,1H3,(H2,22,30)(H,24,26)(H,25,31)/t10-,14-/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311545
PNG
(N-(3-carbamoyl-1-pyridin-3- yl-1H-pyrazol-4-yl)-5-...)
Show SMILES NC(=O)c1nn(cc1NC(=O)c1cnn2ccc(nc12)N1CCNCC1)-c1cccnc1
Show InChI InChI=1S/C20H20N10O2/c21-18(31)17-15(12-30(27-17)13-2-1-4-23-10-13)25-20(32)14-11-24-29-7-3-16(26-19(14)29)28-8-5-22-6-9-28/h1-4,7,10-12,22H,5-6,8-9H2,(H2,21,31)(H,25,32)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311529
PNG
(N-(3-carbamoyl-1- methyl-1H-pyrazol-4- yl)-5-(pipe...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(NC4CCCNC4)nc23)c(n1)C(N)=O
Show InChI InChI=1S/C17H21N9O2/c1-25-9-12(14(24-25)15(18)27)22-17(28)11-8-20-26-6-4-13(23-16(11)26)21-10-3-2-5-19-7-10/h4,6,8-10,19H,2-3,5,7H2,1H3,(H2,18,27)(H,21,23)(H,22,28)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311542
PNG
(N-(3-carbamoyl-1-methyl- 1H-pyrazol-4-yl)-5- piper...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCC2)c(n1)C(N)=O
Show InChI InChI=1S/C16H19N9O2/c1-23-9-11(13(22-23)14(17)26)20-16(27)10-8-19-25-5-2-12(21-15(10)25)24-6-3-18-4-7-24/h2,5,8-9,18H,3-4,6-7H2,1H3,(H2,17,26)(H,20,27)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311549
PNG
(N-(4-carbamoylpyridin-3- yl)pyrazolo[1,5- a]pyrimi...)
Show SMILES NC(=O)c1ccncc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C13H10N6O2/c14-11(20)8-2-4-15-7-10(8)18-13(21)9-6-17-19-5-1-3-16-12(9)19/h1-7H,(H2,14,20)(H,18,21)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311548
PNG
(N-(3-carbamoyl-1-pyridin-3- yl-1H-pyrazol-4- yl)py...)
Show SMILES NC(=O)c1nn(cc1NC(=O)c1cnn2cccnc12)-c1cccnc1
Show InChI InChI=1S/C16H12N8O2/c17-14(25)13-12(9-24(22-13)10-3-1-4-18-7-10)21-16(26)11-8-20-23-6-2-5-19-15(11)23/h1-9H,(H2,17,25)(H,21,26)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311567
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-[1-(2- hy...)
Show SMILES CNC(=O)c1nn(CCO)cc1NC(=O)c1ccc2cnc(N[C@@H]3CCCC[C@@H]3N)nn12
Show InChI InChI=1S/C20H27N9O3/c1-22-19(32)17-15(11-28(26-17)8-9-30)24-18(31)16-7-6-12-10-23-20(27-29(12)16)25-14-5-3-2-4-13(14)21/h6-7,10-11,13-14,30H,2-5,8-9,21H2,1H3,(H,22,32)(H,24,31)(H,25,27)/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM312067
PNG
(N-(3-Carbamoyl-1-methyl-1H-pyrazol-4-yl)thieno[2,3...)
Show SMILES Cn1cc(NC(=O)c2csc3nccnc23)c(n1)C(N)=O
Show InChI InChI=1S/C12H10N6O2S/c1-18-4-7(9(17-18)10(13)19)16-11(20)6-5-21-12-8(6)14-2-3-15-12/h2-5H,1H3,(H2,13,19)(H,16,20)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM50095466
PNG
(CHEMBL3590471 | US10155765, Example 12)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(NC4CCCC4N)nc23)c(n1)C(N)=O
Show InChI InChI=1S/C17H21N9O2/c1-25-8-12(14(24-25)15(19)27)22-17(28)9-7-20-26-6-5-13(23-16(9)26)21-11-4-2-3-10(11)18/h5-8,10-11H,2-4,18H2,1H3,(H2,19,27)(H,21,23)(H,22,28)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311528
PNG
(N-(3-carbamoyl-1- methyl-1H-pyrazol-4- yl)-5-(pyrr...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(NC4CCNC4)nc23)c(n1)C(N)=O
Show InChI InChI=1S/C16H19N9O2/c1-24-8-11(13(23-24)14(17)26)21-16(27)10-7-19-25-5-3-12(22-15(10)25)20-9-2-4-18-6-9/h3,5,7-9,18H,2,4,6H2,1H3,(H2,17,26)(H,20,22)(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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM50095463
PNG
(CHEMBL3590436 | US9649308, Example 40)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(CCCN)nc23)c(n1)C(N)=O
Show InChI InChI=1S/C15H18N8O2/c1-22-8-11(12(21-22)13(17)24)20-15(25)10-7-18-23-6-4-9(3-2-5-16)19-14(10)23/h4,6-8H,2-3,5,16H2,1H3,(H2,17,24)(H,20,25)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311531
PNG
(5-{[cis-2- aminocyclohexyl]amino}- N-[3- (dimethyl...)
Show SMILES CN(C)C(=O)c1nn(C)cc1NC(=O)c1cnn2ccc(N[C@H]3CCCC[C@H]3N)nc12
Show InChI InChI=1S/C20H27N9O2/c1-27(2)20(31)17-15(11-28(3)26-17)24-19(30)12-10-22-29-9-8-16(25-18(12)29)23-14-7-5-4-6-13(14)21/h8-11,13-14H,4-7,21H2,1-3H3,(H,23,25)(H,24,30)/t13-,14+/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311537
PNG
(N-(3-carbamoyl-1-methyl- 1H-pyrazol-4-yl)-5- (cycl...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(NC4CCCCC4)nc23)c(n1)C(N)=O
Show InChI InChI=1S/C18H22N8O2/c1-25-10-13(15(24-25)16(19)27)22-18(28)12-9-20-26-8-7-14(23-17(12)26)21-11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H2,19,27)(H,21,23)(H,22,28)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311538
PNG
(N-(3-carbamoyl-1-methyl- 1H-pyrazol-4-yl)-5-[(2- h...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(NC4CCCCC4O)nc23)c(n1)C(N)=O
Show InChI InChI=1S/C18H22N8O3/c1-25-9-12(15(24-25)16(19)28)22-18(29)10-8-20-26-7-6-14(23-17(10)26)21-11-4-2-3-5-13(11)27/h6-9,11,13,27H,2-5H2,1H3,(H2,19,28)(H,21,23)(H,22,29)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311541
PNG
(N-(3-carbamoyl-1-methyl- 1H-pyrazol-4-yl)-5- morph...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCOCC2)c(n1)C(N)=O
Show InChI InChI=1S/C16H18N8O3/c1-22-9-11(13(21-22)14(17)25)19-16(26)10-8-18-24-3-2-12(20-15(10)24)23-4-6-27-7-5-23/h2-3,8-9H,4-7H2,1H3,(H2,17,25)(H,19,26)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311554
PNG
(N-(2-carbamoylthiophen-3- yl)pyrazolo[1,5- a]pyrim...)
Show SMILES NC(=O)c1sccc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C12H9N5O2S/c13-10(18)9-8(2-5-20-9)16-12(19)7-6-15-17-4-1-3-14-11(7)17/h1-6H,(H2,13,18)(H,16,19)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311555
PNG
(N-(5-tert-butyl-2- carbamoylthiophen-3- yl)pyrazol...)
Show SMILES CC(C)(C)c1cc(NC(=O)c2cnn3cccnc23)c(s1)C(N)=O
Show InChI InChI=1S/C16H17N5O2S/c1-16(2,3)11-7-10(12(24-11)13(17)22)20-15(23)9-8-19-21-6-4-5-18-14(9)21/h4-8H,1-3H3,(H2,17,22)(H,20,23)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311540
PNG
(N-(3-carbamoyl-1-methyl- 1H-pyrazol-4-yl)-5-{[(5- ...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(NCC4CNC(=O)C4)nc23)c(n1)C(N)=O
Show InChI InChI=1S/C17H19N9O3/c1-25-8-11(14(24-25)15(18)28)22-17(29)10-7-21-26-3-2-12(23-16(10)26)19-5-9-4-13(27)20-6-9/h2-3,7-9H,4-6H2,1H3,(H2,18,28)(H,19,23)(H,20,27)(H,22,29)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311556
PNG
(N-(2- carbamoylphenyl)pyrazolo [1,5-a]pyrimidine-3...)
Show SMILES NC(=O)c1ccccc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C14H11N5O2/c15-12(20)9-4-1-2-5-11(9)18-14(21)10-8-17-19-7-3-6-16-13(10)19/h1-8H,(H2,15,20)(H,18,21)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311544
PNG
(N-(5-carbamoyl-1-pyridin-4- yl-1H-pyrazol-4-yl)-5-...)
Show SMILES NC(=O)C1=[N](NC=C1NC(=O)c1cnn2ccc(nc12)N1CCNCC1)c1ccncc1
Show InChI InChI=1S/C20H21N10O2/c21-18(31)17-15(12-25-30(17)13-1-4-22-5-2-13)26-20(32)14-11-24-29-8-3-16(27-19(14)29)28-9-6-23-7-10-28/h1-5,8,11-12,23,25H,6-7,9-10H2,(H2,21,31)(H,26,32)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311558
PNG
(N-(2-carbamoyl-5-chloro-4- sulfamoylphenyl)pyrazol...)
Show SMILES NC(=O)c1cc(c(Cl)cc1NC(=O)c1cnn2cccnc12)S(N)(=O)=O
Show InChI InChI=1S/C14H11ClN6O4S/c15-9-5-10(7(12(16)22)4-11(9)26(17,24)25)20-14(23)8-6-19-21-3-1-2-18-13(8)21/h1-6H,(H2,16,22)(H,20,23)(H2,17,24,25)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311560
PNG
(N-(3-carbamoyl-1-methyl-1H- pyrazol-4-yl)-2- (meth...)
Show SMILES CSC1=N[N]2=C(C=CC2C=N1)C(=O)Nc1cn(C)nc1C(N)=O
Show InChI InChI=1S/C13H14N7O2S/c1-19-6-8(10(17-19)11(14)21)16-12(22)9-4-3-7-5-15-13(23-2)18-20(7)9/h3-7H,1-2H3,(H2,14,21)(H,16,22)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM50095462
PNG
(CHEMBL3590435 | US10155765, Example 42)
Show SMILES Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)C(N)=O
Show InChI InChI=1S/C12H11N7O2/c1-18-6-8(9(17-18)10(13)20)16-12(21)7-5-15-19-4-2-3-14-11(7)19/h2-6H,1H3,(H2,13,20)(H,16,21)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM312063
PNG
(N-(3-Carbamoyl-1-methyl-1H-pyrazol-4-yl)-5-(3-oxop...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCNC(=O)C2)c(n1)C(N)=O
Show InChI InChI=1S/C16H17N9O3/c1-23-7-10(13(22-23)14(17)27)20-16(28)9-6-19-25-4-2-11(21-15(9)25)24-5-3-18-12(26)8-24/h2,4,6-7H,3,5,8H2,1H3,(H2,17,27)(H,18,26)(H,20,28)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311551
PNG
(N-(3-carbamoyl-1-piperidin- 4-yl-1H-pyrazol-4- yl)...)
Show SMILES NC(=O)c1nn(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
Show InChI InChI=1S/C16H18N8O2/c17-14(25)13-12(9-24(22-13)10-2-5-18-6-3-10)21-16(26)11-8-20-23-7-1-4-19-15(11)23/h1,4,7-10,18H,2-3,5-6H2,(H2,17,25)(H,21,26)
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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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311552
PNG
(N-{3-carbamoyl-1-[1- (methylsulfonyl)piperidin-4- ...)
Show SMILES CS(=O)(=O)N1CCC(CC1)n1cc(NC(=O)c2cnn3cccnc23)c(n1)C(N)=O
Show InChI InChI=1S/C17H20N8O4S/c1-30(28,29)23-7-3-11(4-8-23)25-10-13(14(22-25)15(18)26)21-17(27)12-9-20-24-6-2-5-19-16(12)24/h2,5-6,9-11H,3-4,7-8H2,1H3,(H2,18,26)(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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311550
PNG
(US10155765, Example 46 | tert-butyl 4-{3-carbamoyl...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1cc(NC(=O)c2cnn3cccnc23)c(n1)C(N)=O
Show InChI InChI=1S/C21H26N8O4/c1-21(2,3)33-20(32)27-9-5-13(6-10-27)29-12-15(16(26-29)17(22)30)25-19(31)14-11-24-28-8-4-7-23-18(14)28/h4,7-8,11-13H,5-6,9-10H2,1-3H3,(H2,22,30)(H,25,31)
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US Patent
n/an/a 670n/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311557
PNG
(N-(3-carbamoyl-1H-pyrazol- 4-yl)pyrazolo[1,5- a]py...)
Show SMILES NC(=O)c1n[nH]cc1NC(=O)c1cnn2cccnc12
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US Patent
n/an/a 700n/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311553
PNG
(N-(3-carbamoylpyridin-4- yl)pyrazolo[1,5- a]pyrimi...)
Show SMILES NC(=O)c1cnccc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C13H10N6O2/c14-11(20)8-6-15-4-2-10(8)18-13(21)9-7-17-19-5-1-3-16-12(9)19/h1-7H,(H2,14,20)(H,15,18,21)
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n/an/a 710n/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM312062
PNG
(N-(3-Carbamoyl-1-pyridin-2-yl-1H-pyrazol-4-yl)-5-p...)
Show SMILES NC(=O)c1nn(cc1NC(=O)c1cnn2ccc(nc12)N1CCNCC1)-c1ccccn1
Show InChI InChI=1S/C20H20N10O2/c21-18(31)17-14(12-30(27-17)15-3-1-2-5-23-15)25-20(32)13-11-24-29-8-4-16(26-19(13)29)28-9-6-22-7-10-28/h1-5,8,11-12,22H,6-7,9-10H2,(H2,21,31)(H,25,32)
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n/an/a 1.00E+3n/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM312066
PNG
(N-(2-Carbamoylpyridin-3-yl)pyrazolo[1,5-a]pyrimidi...)
Show SMILES NC(=O)c1ncccc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C13H10N6O2/c14-11(20)10-9(3-1-4-15-10)18-13(21)8-7-17-19-6-2-5-16-12(8)19/h1-7H,(H2,14,20)(H,18,21)
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n/an/a 4.40E+3n/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM311559
PNG
(N-(4-bromo-2- carbamoylphenyl)pyrazolo [1,5-a]pyri...)
Show SMILES NC(=O)c1cc(Br)ccc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C14H10BrN5O2/c15-8-2-3-11(9(6-8)12(16)21)19-14(22)10-7-18-20-5-1-4-17-13(10)20/h1-7H,(H2,16,21)(H,19,22)
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n/an/a 5.00E+3n/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 US10155765 (2018)

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


(Homo sapiens (Human))
BDBM50095464
PNG
(CHEMBL3590437 | US9649308, Example 39)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(OCCN)nc23)c(n1)C(N)=O
Show InChI InChI=1S/C14H16N8O3/c1-21-7-9(11(20-21)12(16)23)18-14(24)8-6-17-22-4-2-10(19-13(8)22)25-5-3-15/h2,4,6-7H,3,5,15H2,1H3,(H2,16,23)(H,18,24)
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Similars

US Patent
n/an/a 9.20E+3n/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 US10155765 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%