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Patent code US9586948

Compile Data Set for Download or QSAR
Found 51 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))
BDBM50040867
PNG
(CHEMBL3353206 | US9586948, Example 25)
Show SMILES Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cn(C)nc1C(N)=O
Show InChI InChI=1S/C15H15N7O2/c1-21-7-9(6-17-21)10-4-3-5-11(18-10)15(24)19-12-8-22(2)20-13(12)14(16)23/h3-8H,1-2H3,(H2,16,23)(H,19,24)
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US Patent
n/an/a 32n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294282
PNG
(US9586948, Example 1)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(N)=O
Show InChI InChI=1S/C20H21N7O2/c1-27-11-16(18(26-27)19(21)28)25-20(29)15-4-2-3-14(24-15)13-7-8-22-17(9-13)23-10-12-5-6-12/h2-4,7-9,11-12H,5-6,10H2,1H3,(H2,21,28)(H,22,23)(H,25,29)
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n/an/a 74n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294313
PNG
(US9586948, Example 32)
Show SMILES CN1CCC(=CC1=O)c1cccc(n1)C(=O)Nc1cn(C)nc1C(N)=O
Show InChI InChI=1S/C17H18N6O3/c1-22-7-6-10(8-14(22)24)11-4-3-5-12(19-11)17(26)20-13-9-23(2)21-15(13)16(18)25/h3-5,8-9H,6-7H2,1-2H3,(H2,18,25)(H,20,26)
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n/an/a 82n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294310
PNG
(US9586948, Example 29)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2cncc(Cl)c2)c(n1)C(N)=O
Show InChI InChI=1S/C16H13ClN6O2/c1-23-8-13(14(22-23)15(18)24)21-16(25)12-4-2-3-11(20-12)9-5-10(17)7-19-6-9/h2-8H,1H3,(H2,18,24)(H,21,25)
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n/an/a 91n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294309
PNG
(US9586948, Example 28)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccc(nc2)C2CC2)c(n1)C(N)=O
Show InChI InChI=1S/C19H18N6O2/c1-25-10-16(17(24-25)18(20)26)23-19(27)15-4-2-3-14(22-15)12-7-8-13(21-9-12)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H2,20,26)(H,23,27)
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n/an/a 94n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294287
PNG
(US9586948, Example 6)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(N)c2)c(n1)C(N)=O
Show InChI InChI=1S/C16H15N7O2/c1-23-8-12(14(22-23)15(18)24)21-16(25)11-4-2-3-10(20-11)9-5-6-19-13(17)7-9/h2-8H,1H3,(H2,17,19)(H2,18,24)(H,21,25)
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n/an/a 101n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294299
PNG
(US9586948, Example 18)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC(F)(F)F)c2)c(n1)C(N)=O
Show InChI InChI=1S/C18H16F3N7O2/c1-28-8-13(15(27-28)16(22)29)26-17(30)12-4-2-3-11(25-12)10-5-6-23-14(7-10)24-9-18(19,20)21/h2-8H,9H2,1H3,(H2,22,29)(H,23,24)(H,26,30)
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n/an/a 127n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294308
PNG
(US9586948, Example 27)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)C2=CCCOC2)c(n1)C(N)=O
Show InChI InChI=1S/C16H17N5O3/c1-21-8-13(14(20-21)15(17)22)19-16(23)12-6-2-5-11(18-12)10-4-3-7-24-9-10/h2,4-6,8H,3,7,9H2,1H3,(H2,17,22)(H,19,23)
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n/an/a 134n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294284
PNG
(US9586948, Example 3)
Show SMILES Cn1cc(NC(=O)c2cccc(c2)-c2ccnc(NCC3CC3)c2)c(n1)C(N)=O
Show InChI InChI=1S/C21H22N6O2/c1-27-12-17(19(26-27)20(22)28)25-21(29)16-4-2-3-14(9-16)15-7-8-23-18(10-15)24-11-13-5-6-13/h2-4,7-10,12-13H,5-6,11H2,1H3,(H2,22,28)(H,23,24)(H,25,29)
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n/an/a 184n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294327
PNG
(US9586948, Example 46)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1O)C(=O)c1nn(C)cc1NC(=O)c1cccc(n1)-c1ccnc(NCC2CC2)c1
Show InChI InChI=1S/C26H32N8O3/c1-32(2)21-14-34(15-22(21)35)26(37)24-20(13-33(3)31-24)30-25(36)19-6-4-5-18(29-19)17-9-10-27-23(11-17)28-12-16-7-8-16/h4-6,9-11,13,16,21-22,35H,7-8,12,14-15H2,1-3H3,(H,27,28)(H,30,36)/t21-,22-/m0/s1
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n/an/a 186n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294296
PNG
(US9586948, Example 15)
Show SMILES COCCNc1cc(ccn1)-c1cccc(n1)C(=O)Nc1cn(C)nc1C(N)=O
Show InChI InChI=1S/C19H21N7O3/c1-26-11-15(17(25-26)18(20)27)24-19(28)14-5-3-4-13(23-14)12-6-7-21-16(10-12)22-8-9-29-2/h3-7,10-11H,8-9H2,1-2H3,(H2,20,27)(H,21,22)(H,24,28)
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n/an/a 187n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294323
PNG
(US9586948, Example 42)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)N1CC(CN)C1
Show InChI InChI=1S/C24H28N8O2/c1-31-14-20(22(30-31)24(34)32-12-16(10-25)13-32)29-23(33)19-4-2-3-18(28-19)17-7-8-26-21(9-17)27-11-15-5-6-15/h2-4,7-9,14-16H,5-6,10-13,25H2,1H3,(H,26,27)(H,29,33)
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n/an/a 190n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294297
PNG
(US9586948, Example 16)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC(F)F)c2)c(n1)C(N)=O
Show InChI InChI=1S/C18H17F2N7O2/c1-27-9-13(16(26-27)17(21)28)25-18(29)12-4-2-3-11(24-12)10-5-6-22-15(7-10)23-8-14(19)20/h2-7,9,14H,8H2,1H3,(H2,21,28)(H,22,23)(H,25,29)
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n/an/a 196n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294305
PNG
(US9586948, Example 24)
Show SMILES CNC(=O)c1cccc(c1)-c1cccc(n1)C(=O)Nc1cn(C)nc1C(N)=O
Show InChI InChI=1S/C19H18N6O3/c1-21-18(27)12-6-3-5-11(9-12)13-7-4-8-14(22-13)19(28)23-15-10-25(2)24-16(15)17(20)26/h3-10H,1-2H3,(H2,20,26)(H,21,27)(H,23,28)
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n/an/a 201n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294293
PNG
(US9586948, Example 12)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2cccnc2)c(n1)C(N)=O
Show InChI InChI=1S/C16H14N6O2/c1-22-9-13(14(21-22)15(17)23)20-16(24)12-6-2-5-11(19-12)10-4-3-7-18-8-10/h2-9H,1H3,(H2,17,23)(H,20,24)
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n/an/a 212n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294330
PNG
(US9586948, Example 49)
Show SMILES CN1CCCC(CNC(=O)c2nn(C)cc2NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)C1
Show InChI InChI=1S/C27H34N8O2/c1-34-12-4-5-19(16-34)15-30-27(37)25-23(17-35(2)33-25)32-26(36)22-7-3-6-21(31-22)20-10-11-28-24(13-20)29-14-18-8-9-18/h3,6-7,10-11,13,17-19H,4-5,8-9,12,14-16H2,1-2H3,(H,28,29)(H,30,37)(H,32,36)
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n/an/a 260n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294300
PNG
(US9586948, Example 19)
Show SMILES Cn1cc(NC(=O)c2ccnc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(N)=O
Show InChI InChI=1S/C19H20N8O2/c1-27-10-14(16(26-27)17(20)28)25-19(29)13-5-7-22-18(24-13)12-4-6-21-15(8-12)23-9-11-2-3-11/h4-8,10-11H,2-3,9H2,1H3,(H2,20,28)(H,21,23)(H,25,29)
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n/an/a 283n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294303
PNG
(US9586948, Example 22)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccsc2)c(n1)C(N)=O
Show InChI InChI=1S/C15H13N5O2S/c1-20-7-12(13(19-20)14(16)21)18-15(22)11-4-2-3-10(17-11)9-5-6-23-8-9/h2-8H,1H3,(H2,16,21)(H,18,22)
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n/an/a 362n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294311
PNG
(US9586948, Example 30)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)C2=CCOCC2)c(n1)C(N)=O
Show InChI InChI=1S/C16H17N5O3/c1-21-9-13(14(20-21)15(17)22)19-16(23)12-4-2-3-11(18-12)10-5-7-24-8-6-10/h2-5,9H,6-8H2,1H3,(H2,17,22)(H,19,23)
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n/an/a 426n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294298
PNG
(US9586948, Example 17)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CCOCC3)c2)c(n1)C(N)=O
Show InChI InChI=1S/C22H25N7O3/c1-29-13-18(20(28-29)21(23)30)27-22(31)17-4-2-3-16(26-17)15-5-8-24-19(11-15)25-12-14-6-9-32-10-7-14/h2-5,8,11,13-14H,6-7,9-10,12H2,1H3,(H2,23,30)(H,24,25)(H,27,31)
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n/an/a 477n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294321
PNG
(US9586948, Example 40)
Show SMILES CN(C)CCCNC(=O)c1nn(C)cc1NC(=O)c1cccc(n1)-c1ccnc(NCC2CC2)c1
Show InChI InChI=1S/C25H32N8O2/c1-32(2)13-5-11-27-25(35)23-21(16-33(3)31-23)30-24(34)20-7-4-6-19(29-20)18-10-12-26-22(14-18)28-15-17-8-9-17/h4,6-7,10,12,14,16-17H,5,8-9,11,13,15H2,1-3H3,(H,26,28)(H,27,35)(H,30,34)
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n/an/a 535n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294312
PNG
(US9586948, Example 31)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2cnccc2Cl)c(n1)C(N)=O
Show InChI InChI=1S/C16H13ClN6O2/c1-23-8-13(14(22-23)15(18)24)21-16(25)12-4-2-3-11(20-12)9-7-19-6-5-10(9)17/h2-8H,1H3,(H2,18,24)(H,21,25)
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n/an/a 620n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294294
PNG
(US9586948, Example 13)
Show SMILES COc1cccc(c1)-c1cccc(n1)C(=O)Nc1cn(C)nc1C(N)=O
Show InChI InChI=1S/C18H17N5O3/c1-23-10-15(16(22-23)17(19)24)21-18(25)14-8-4-7-13(20-14)11-5-3-6-12(9-11)26-2/h3-10H,1-2H3,(H2,19,24)(H,21,25)
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n/an/a 637n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294283
PNG
(US9586948, Example 2)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-n2cccc2)c(n1)C(N)=O
Show InChI InChI=1S/C15H14N6O2/c1-20-9-11(13(19-20)14(16)22)18-15(23)10-5-4-6-12(17-10)21-7-2-3-8-21/h2-9H,1H3,(H2,16,22)(H,18,23)
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n/an/a 649n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294315
PNG
(US9586948, Example 34)
Show SMILES CN1CCC(CNC(=O)c2nn(C)cc2NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)C1
Show InChI InChI=1S/C26H32N8O2/c1-33-11-9-18(15-33)14-29-26(36)24-22(16-34(2)32-24)31-25(35)21-5-3-4-20(30-21)19-8-10-27-23(12-19)28-13-17-6-7-17/h3-5,8,10,12,16-18H,6-7,9,11,13-15H2,1-2H3,(H,27,28)(H,29,36)(H,31,35)
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n/an/a 729n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294314
PNG
(US9586948, Example 33)
Show SMILES CN1CCC=C(C1)c1cccc(n1)C(=O)Nc1cn(C)nc1C(N)=O
Show InChI InChI=1S/C17H20N6O2/c1-22-8-4-5-11(9-22)12-6-3-7-13(19-12)17(25)20-14-10-23(2)21-15(14)16(18)24/h3,5-7,10H,4,8-9H2,1-2H3,(H2,18,24)(H,20,25)
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n/an/a 739n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294285
PNG
(US9586948, Example 4)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NC(=O)OC(C)(C)C)c2)c(n1)C(N)=O
Show InChI InChI=1S/C21H23N7O4/c1-21(2,3)32-20(31)26-16-10-12(8-9-23-16)13-6-5-7-14(24-13)19(30)25-15-11-28(4)27-17(15)18(22)29/h5-11H,1-4H3,(H2,22,29)(H,25,30)(H,23,26,31)
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n/an/a 785n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294316
PNG
(US9586948, Example 35)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C26H32N8O2/c1-33-17-22(24(32-33)26(36)28-11-14-34-12-2-3-13-34)31-25(35)21-6-4-5-20(30-21)19-9-10-27-23(15-19)29-16-18-7-8-18/h4-6,9-10,15,17-18H,2-3,7-8,11-14,16H2,1H3,(H,27,29)(H,28,36)(H,31,35)
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n/an/a 1.06E+3n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294288
PNG
(US9586948, Example 7)
Show SMILES Cn1cc(NC(=O)c2cncc(c2)-c2ccnc(NCC3CC3)c2)c(n1)C(N)=O
Show InChI InChI=1S/C20H21N7O2/c1-27-11-16(18(26-27)19(21)28)25-20(29)15-6-14(9-22-10-15)13-4-5-23-17(7-13)24-8-12-2-3-12/h4-7,9-12H,2-3,8H2,1H3,(H2,21,28)(H,23,24)(H,25,29)
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n/an/a 1.10E+3n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294304
PNG
(US9586948, Example 23)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccc(nc2)N2CCOCC2)c(n1)C(N)=O
Show InChI InChI=1S/C20H21N7O3/c1-26-12-16(18(25-26)19(21)28)24-20(29)15-4-2-3-14(23-15)13-5-6-17(22-11-13)27-7-9-30-10-8-27/h2-6,11-12H,7-10H2,1H3,(H2,21,28)(H,24,29)
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n/an/a 1.11E+3n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294307
PNG
(US9586948, Example 26)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)C2=CCS(=O)(=O)CC2)c(n1)C(N)=O
Show InChI InChI=1S/C16H17N5O4S/c1-21-9-13(14(20-21)15(17)22)19-16(23)12-4-2-3-11(18-12)10-5-7-26(24,25)8-6-10/h2-5,9H,6-8H2,1H3,(H2,17,22)(H,19,23)
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n/an/a 1.30E+3n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294286
PNG
(US9586948, Example 5)
Show SMILES Cn1cc(NC(=O)c2ccnc(c2)-c2ccnc(NCC3CC3)c2)c(n1)C(N)=O
Show InChI InChI=1S/C20H21N7O2/c1-27-11-16(18(26-27)19(21)28)25-20(29)14-5-6-22-15(8-14)13-4-7-23-17(9-13)24-10-12-2-3-12/h4-9,11-12H,2-3,10H2,1H3,(H2,21,28)(H,23,24)(H,25,29)
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n/an/a 1.45E+3n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294317
PNG
(US9586948, Example 36)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCc1ncc[nH]1
Show InChI InChI=1S/C24H25N9O2/c1-33-14-19(22(32-33)24(35)29-13-21-26-9-10-27-21)31-23(34)18-4-2-3-17(30-18)16-7-8-25-20(11-16)28-12-15-5-6-15/h2-4,7-11,14-15H,5-6,12-13H2,1H3,(H,25,28)(H,26,27)(H,29,35)(H,31,34)
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n/an/a 1.54E+3n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294324
PNG
(US9586948, Example 43)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)Nc1cncnc1
Show InChI InChI=1S/C24H23N9O2/c1-33-13-20(22(32-33)24(35)29-17-11-25-14-26-12-17)31-23(34)19-4-2-3-18(30-19)16-7-8-27-21(9-16)28-10-15-5-6-15/h2-4,7-9,11-15H,5-6,10H2,1H3,(H,27,28)(H,29,35)(H,31,34)
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n/an/a 1.58E+3n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294322
PNG
(US9586948, Example 41)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)N1CCOCC1
Show InChI InChI=1S/C24H27N7O3/c1-30-15-20(22(29-30)24(33)31-9-11-34-12-10-31)28-23(32)19-4-2-3-18(27-19)17-7-8-25-21(13-17)26-14-16-5-6-16/h2-4,7-8,13,15-16H,5-6,9-12,14H2,1H3,(H,25,26)(H,28,32)
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n/an/a 1.83E+3n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294292
PNG
(US9586948, Example 11)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccncc2)c(n1)C(N)=O
Show InChI InChI=1S/C16H14N6O2/c1-22-9-13(14(21-22)15(17)23)20-16(24)12-4-2-3-11(19-12)10-5-7-18-8-6-10/h2-9H,1H3,(H2,17,23)(H,20,24)
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n/an/a 1.90E+3n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294301
PNG
(US9586948, Example 20)
Show SMILES COc1ncccc1-c1cccc(n1)C(=O)Nc1cn(C)nc1C(N)=O
Show InChI InChI=1S/C17H16N6O3/c1-23-9-13(14(22-23)15(18)24)21-16(25)12-7-3-6-11(20-12)10-5-4-8-19-17(10)26-2/h3-9H,1-2H3,(H2,18,24)(H,21,25)
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n/an/a 2.13E+3n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294318
PNG
(US9586948, Example 37)
Show SMILES CN(C)CCCCCNC(=O)c1nn(C)cc1NC(=O)c1cccc(n1)-c1ccnc(NCC2CC2)c1
Show InChI InChI=1S/C27H36N8O2/c1-34(2)15-6-4-5-13-29-27(37)25-23(18-35(3)33-25)32-26(36)22-9-7-8-21(31-22)20-12-14-28-24(16-20)30-17-19-10-11-19/h7-9,12,14,16,18-19H,4-6,10-11,13,15,17H2,1-3H3,(H,28,30)(H,29,37)(H,32,36)
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n/an/a 2.19E+3n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294302
PNG
(US9586948, Example 21)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2cccc(OC(F)(F)F)c2)c(n1)C(N)=O
Show InChI InChI=1S/C18H14F3N5O3/c1-26-9-14(15(25-26)16(22)27)24-17(28)13-7-3-6-12(23-13)10-4-2-5-11(8-10)29-18(19,20)21/h2-9H,1H3,(H2,22,27)(H,24,28)
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n/an/a 2.26E+3n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294332
PNG
(US9586948, Example 51)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NC1CCOC1
Show InChI InChI=1S/C24H27N7O3/c1-31-13-20(22(30-31)24(33)27-17-8-10-34-14-17)29-23(32)19-4-2-3-18(28-19)16-7-9-25-21(11-16)26-12-15-5-6-15/h2-4,7,9,11,13,15,17H,5-6,8,10,12,14H2,1H3,(H,25,26)(H,27,33)(H,29,32)
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n/an/a 2.29E+3n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294329
PNG
(US9586948, Example 48)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCc1nncs1
Show InChI InChI=1S/C23H23N9O2S/c1-32-12-18(21(31-32)23(34)26-11-20-30-27-13-35-20)29-22(33)17-4-2-3-16(28-17)15-7-8-24-19(9-15)25-10-14-5-6-14/h2-4,7-9,12-14H,5-6,10-11H2,1H3,(H,24,25)(H,26,34)(H,29,33)
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n/an/a 2.43E+3n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294325
PNG
(US9586948, Example 44)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCCc1cnccn1
Show InChI InChI=1S/C26H27N9O2/c1-35-16-22(24(34-35)26(37)30-10-8-19-15-27-11-12-28-19)33-25(36)21-4-2-3-20(32-21)18-7-9-29-23(13-18)31-14-17-5-6-17/h2-4,7,9,11-13,15-17H,5-6,8,10,14H2,1H3,(H,29,31)(H,30,37)(H,33,36)
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n/an/a 2.67E+3n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294331
PNG
(US9586948, Example 50)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCCn1cccn1
Show InChI InChI=1S/C25H27N9O2/c1-33-16-21(23(32-33)25(36)27-11-13-34-12-3-9-29-34)31-24(35)20-5-2-4-19(30-20)18-8-10-26-22(14-18)28-15-17-6-7-17/h2-5,8-10,12,14,16-17H,6-7,11,13,15H2,1H3,(H,26,28)(H,27,36)(H,31,35)
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n/an/a 2.68E+3n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294289
PNG
(US9586948, Example 8)
Show SMILES Cn1ncc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c1C(N)=O
Show InChI InChI=1S/C20H21N7O2/c1-27-18(19(21)28)16(11-24-27)26-20(29)15-4-2-3-14(25-15)13-7-8-22-17(9-13)23-10-12-5-6-12/h2-4,7-9,11-12H,5-6,10H2,1H3,(H2,21,28)(H,22,23)(H,26,29)
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n/an/a 2.73E+3n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294320
PNG
(US9586948, Example 39)
Show SMILES CN1CCN(CC1)C(=O)c1nn(C)cc1NC(=O)c1cccc(n1)-c1ccnc(NCC2CC2)c1
Show InChI InChI=1S/C25H30N8O2/c1-31-10-12-33(13-11-31)25(35)23-21(16-32(2)30-23)29-24(34)20-5-3-4-19(28-20)18-8-9-26-22(14-18)27-15-17-6-7-17/h3-5,8-9,14,16-17H,6-7,10-13,15H2,1-2H3,(H,26,27)(H,29,34)
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n/an/a 2.91E+3n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294290
PNG
(US9586948, Example 9)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)N2CCOCC2)c(n1)C(N)=O
Show InChI InChI=1S/C15H18N6O3/c1-20-9-11(13(19-20)14(16)22)18-15(23)10-3-2-4-12(17-10)21-5-7-24-8-6-21/h2-4,9H,5-8H2,1H3,(H2,16,22)(H,18,23)
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n/an/a 3.22E+3n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294291
PNG
(US9586948, Example 10)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)N2CCNCC2)c(n1)C(N)=O
Show InChI InChI=1S/C15H19N7O2/c1-21-9-11(13(20-21)14(16)23)19-15(24)10-3-2-4-12(18-10)22-7-5-17-6-8-22/h2-4,9,17H,5-8H2,1H3,(H2,16,23)(H,19,24)
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n/an/a 3.45E+3n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294326
PNG
(US9586948, Example 45)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCC1CCS(=O)(=O)C1
Show InChI InChI=1S/C25H29N7O4S/c1-32-14-21(23(31-32)25(34)28-13-17-8-10-37(35,36)15-17)30-24(33)20-4-2-3-19(29-20)18-7-9-26-22(11-18)27-12-16-5-6-16/h2-4,7,9,11,14,16-17H,5-6,8,10,12-13,15H2,1H3,(H,26,27)(H,28,34)(H,30,33)
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n/an/a 3.62E+3n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294295
PNG
(US9586948, Example 14)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccccc2)c(n1)C(N)=O
Show InChI InChI=1S/C17H15N5O2/c1-22-10-14(15(21-22)16(18)23)20-17(24)13-9-5-8-12(19-13)11-6-3-2-4-7-11/h2-10H,1H3,(H2,18,23)(H,20,24)
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n/an/a 3.63E+3n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294328
PNG
(US9586948, Example 47)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCc1ccncn1
Show InChI InChI=1S/C25H25N9O2/c1-34-14-21(23(33-34)25(36)29-13-18-8-9-26-15-30-18)32-24(35)20-4-2-3-19(31-20)17-7-10-27-22(11-17)28-12-16-5-6-16/h2-4,7-11,14-16H,5-6,12-13H2,1H3,(H,27,28)(H,29,36)(H,32,35)
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n/an/a 4.38E+3n/an/an/an/a7.2n/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 US9586948 (2017)

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


(Homo sapiens (Human))
BDBM294319
PNG
(US9586948, Example 38)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C27H28N8O2/c1-35-17-23(25(34-35)27(37)30-14-11-20-5-2-3-12-28-20)33-26(36)22-7-4-6-21(32-22)19-10-13-29-24(15-19)31-16-18-8-9-18/h2-7,10,12-13,15,17-18H,8-9,11,14,16H2,1H3,(H,29,31)(H,30,37)(H,33,36)
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n/an/a 4.97E+3n/an/an/an/a7.2n/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 US9586948 (2017)

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