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Patent code US9943516

Compile Data Set for Download or QSAR
Found 19 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM388447
PNG
(6-cyclobutyl-N- (trans-4- morpholin-4- ylcyclohexy...)
Show SMILES C1CC(C1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1
Show InChI InChI=1S/C22H30N4O/c1-2-16(3-1)17-4-9-21-20(14-17)22(24-15-23-21)25-18-5-7-19(8-6-18)26-10-12-27-13-11-26/h4,9,14-16,18-19H,1-3,5-8,10-13H2,(H,23,24,25)/t18-,19-
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n/an/a 3n/an/an/an/an/an/a



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 US9943516 (2018)

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


(Homo sapiens (Human))
BDBM388448
PNG
(6-cyclopentyl-N- (trans-4- morpholin-4- ylcyclohex...)
Show SMILES C1CCC(C1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1
Show InChI InChI=1S/C23H32N4O/c1-2-4-17(3-1)18-5-10-22-21(15-18)23(25-16-24-22)26-19-6-8-20(9-7-19)27-11-13-28-14-12-27/h5,10,15-17,19-20H,1-4,6-9,11-14H2,(H,24,25,26)/t19-,20-
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n/an/a 5n/an/an/an/an/an/a



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 US9943516 (2018)

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


(Homo sapiens (Human))
BDBM388444
PNG
(6-cyclopropyl-N- (trans-4- morpholin-4- ylcyclohex...)
Show SMILES C1CC1c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1
Show InChI InChI=1S/C21H28N4O/c1-2-15(1)16-3-8-20-19(13-16)21(23-14-22-20)24-17-4-6-18(7-5-17)25-9-11-26-12-10-25/h3,8,13-15,17-18H,1-2,4-7,9-12H2,(H,22,23,24)/t17-,18-
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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 US9943516 (2018)

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


(Homo sapiens (Human))
BDBM388458
PNG
(US9943516, 4-1 | US9943516, 4-2 | US9943516, 4-3)
Show SMILES OC1CCCC(C1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1
Show InChI InChI=1S/C24H34N4O2/c29-21-3-1-2-17(14-21)18-4-9-23-22(15-18)24(26-16-25-23)27-19-5-7-20(8-6-19)28-10-12-30-13-11-28/h4,9,15-17,19-21,29H,1-3,5-8,10-14H2,(H,25,26,27)/t17?,19-,20-,21?
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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 US9943516 (2018)

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


(Homo sapiens (Human))
BDBM388443
PNG
(N'-(6- cyclopropylquinazolin- 4-yl)-N,N- dimethylc...)
Show SMILES CN(C)C1CCC(CC1)Nc1ncnc2ccc(cc12)C1CC1
Show InChI InChI=1S/C19H26N4/c1-23(2)16-8-6-15(7-9-16)22-19-17-11-14(13-3-4-13)5-10-18(17)20-12-21-19/h5,10-13,15-16H,3-4,6-9H2,1-2H3,(H,20,21,22)
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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 US9943516 (2018)

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


(Homo sapiens (Human))
BDBM388445
PNG
(6-cyclopropyl-7- fluoro-N-(trans-4- morpholin-4- y...)
Show SMILES Fc1cc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2cc1C1CC1
Show InChI InChI=1S/C21H27FN4O/c22-19-12-20-18(11-17(19)14-1-2-14)21(24-13-23-20)25-15-3-5-16(6-4-15)26-7-9-27-10-8-26/h11-16H,1-10H2,(H,23,24,25)/t15-,16-
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n/an/a 12n/an/an/an/an/an/a



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 US9943516 (2018)

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


(Homo sapiens (Human))
BDBM388456
PNG
(N-(trans-4- morpholin-4- ylcyclohexyl)-6- (tetrahy...)
Show SMILES C1COCC(C1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1
Show InChI InChI=1S/C23H32N4O2/c1-2-18(15-29-11-1)17-3-8-22-21(14-17)23(25-16-24-22)26-19-4-6-20(7-5-19)27-9-12-28-13-10-27/h3,8,14,16,18-20H,1-2,4-7,9-13,15H2,(H,24,25,26)/t18?,19-,20-
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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 US9943516 (2018)

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


(Homo sapiens (Human))
BDBM388451
PNG
(N-(trans-4- morpholin-4- ylcyclohexyl)-6- (tetrahy...)
Show SMILES C1CC(CO1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1
Show InChI InChI=1S/C22H30N4O2/c1-6-21-20(13-16(1)17-7-10-28-14-17)22(24-15-23-21)25-18-2-4-19(5-3-18)26-8-11-27-12-9-26/h1,6,13,15,17-19H,2-5,7-12,14H2,(H,23,24,25)/t17?,18-,19-
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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 US9943516 (2018)

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


(Homo sapiens (Human))
BDBM388449
PNG
(6-cyclohexyl-N- (trans-4- morpholin-4- ylcyclohexy...)
Show SMILES C1CCC(CC1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1
Show InChI InChI=1S/C24H34N4O/c1-2-4-18(5-3-1)19-6-11-23-22(16-19)24(26-17-25-23)27-20-7-9-21(10-8-20)28-12-14-29-15-13-28/h6,11,16-18,20-21H,1-5,7-10,12-15H2,(H,25,26,27)/t20-,21-
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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 US9943516 (2018)

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


(Homo sapiens (Human))
BDBM388450
PNG
(US9943516, 2-1)
Show SMILES C1OCC1c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1
Show InChI InChI=1S/C21H28N4O2/c1-6-20-19(11-15(1)16-12-27-13-16)21(23-14-22-20)24-17-2-4-18(5-3-17)25-7-9-26-10-8-25/h1,6,11,14,16-18H,2-5,7-10,12-13H2,(H,22,23,24)/t17-,18-
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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 US9943516 (2018)

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


(Homo sapiens (Human))
BDBM388458
PNG
(US9943516, 4-1 | US9943516, 4-2 | US9943516, 4-3)
Show SMILES OC1CCCC(C1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1
Show InChI InChI=1S/C24H34N4O2/c29-21-3-1-2-17(14-21)18-4-9-23-22(15-18)24(26-16-25-23)27-19-5-7-20(8-6-19)28-10-12-30-13-11-28/h4,9,15-17,19-21,29H,1-3,5-8,10-14H2,(H,25,26,27)/t17?,19-,20-,21?
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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 US9943516 (2018)

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


(Homo sapiens (Human))
BDBM388446
PNG
(6-(1- methylcyclopropyl)- N-(trans-4- morpholin-4-...)
Show SMILES CC1(CC1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1
Show InChI InChI=1S/C22H30N4O/c1-22(8-9-22)16-2-7-20-19(14-16)21(24-15-23-20)25-17-3-5-18(6-4-17)26-10-12-27-13-11-26/h2,7,14-15,17-18H,3-6,8-13H2,1H3,(H,23,24,25)/t17-,18-
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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 US9943516 (2018)

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


(Homo sapiens (Human))
BDBM388458
PNG
(US9943516, 4-1 | US9943516, 4-2 | US9943516, 4-3)
Show SMILES OC1CCCC(C1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1
Show InChI InChI=1S/C24H34N4O2/c29-21-3-1-2-17(14-21)18-4-9-23-22(15-18)24(26-16-25-23)27-19-5-7-20(8-6-19)28-10-12-30-13-11-28/h4,9,15-17,19-21,29H,1-3,5-8,10-14H2,(H,25,26,27)/t17?,19-,20-,21?
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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 US9943516 (2018)

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


(Homo sapiens (Human))
BDBM388454
PNG
(6-(4,4- difluorocyclohexyl)- N-(trans-4- morpholin...)
Show SMILES FC1(F)CCC(CC1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1
Show InChI InChI=1S/C24H32F2N4O/c25-24(26)9-7-17(8-10-24)18-1-6-22-21(15-18)23(28-16-27-22)29-19-2-4-20(5-3-19)30-11-13-31-14-12-30/h1,6,15-17,19-20H,2-5,7-14H2,(H,27,28,29)/t19-,20-
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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 US9943516 (2018)

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


(Homo sapiens (Human))
BDBM388455
PNG
(N-(trans-4- morpholin-4- ylcyclohexyl)-6- (tetrahy...)
Show SMILES C1CC(CCO1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1
Show InChI InChI=1S/C23H32N4O2/c1-6-22-21(15-18(1)17-7-11-28-12-8-17)23(25-16-24-22)26-19-2-4-20(5-3-19)27-9-13-29-14-10-27/h1,6,15-17,19-20H,2-5,7-14H2,(H,24,25,26)/t19-,20-
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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 US9943516 (2018)

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


(Homo sapiens (Human))
BDBM388457
PNG
(4-{4-[(trans-4- morpholin-4- ylcyclohexyl)amino] q...)
Show SMILES OC(=O)C1CCC(CC1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1
Show InChI InChI=1S/C25H34N4O3/c30-25(31)18-3-1-17(2-4-18)19-5-10-23-22(15-19)24(27-16-26-23)28-20-6-8-21(9-7-20)29-11-13-32-14-12-29/h5,10,15-18,20-21H,1-4,6-9,11-14H2,(H,30,31)(H,26,27,28)/t17?,18?,20-,21-
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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 US9943516 (2018)

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


(Homo sapiens (Human))
BDBM388453
PNG
(4-{4-[(trans-4- morpholin-4- ylcyclohexyl)amino] ...)
Show SMILES N#CC1CCC(CC1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1
Show InChI InChI=1S/C25H33N5O/c26-16-18-1-3-19(4-2-18)20-5-10-24-23(15-20)25(28-17-27-24)29-21-6-8-22(9-7-21)30-11-13-31-14-12-30/h5,10,15,17-19,21-22H,1-4,6-9,11-14H2,(H,27,28,29)/t18?,19?,21-,22-
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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 US9943516 (2018)

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


(Homo sapiens (Human))
BDBM388452
PNG
(US9943516, 3-1)
Show SMILES C1COC(C1)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1
Show InChI InChI=1S/C22H30N4O2/c1-2-21(28-11-1)16-3-8-20-19(14-16)22(24-15-23-20)25-17-4-6-18(7-5-17)26-9-12-27-13-10-26/h3,8,14-15,17-18,21H,1-2,4-7,9-13H2,(H,23,24,25)/t17-,18-,21?
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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 US9943516 (2018)

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


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



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 US9943516 (2018)

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