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Patent code US9169260

Compile Data Set for Download or QSAR

Found 399 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))		BDBM188768
PNG
(US9169260, 34)
Show SMILES Cc1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(F)cc1F
Show InChI InChI=1S/C23H16F2N6O/c1-14-3-5-15(6-4-14)19-12-21(31(29-19)20-8-7-16(24)11-18(20)25)28-23(32)17-13-27-30-10-2-9-26-22(17)30/h2-13H,1H3,(H,28,32)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188793
PNG
(US9169260, 59)
Show SMILES Cc1ccc(c(F)c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC1
Show InChI InChI=1S/C26H28FN7O/c1-17-6-7-23(21(27)14-17)34-24(30-26(35)20-16-29-33-11-3-10-28-25(20)33)15-22(31-34)18-8-12-32(13-9-18)19-4-2-5-19/h3,6-7,10-11,14-16,18-19H,2,4-5,8-9,12-13H2,1H3,(H,30,35)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188795
PNG
(US9169260, 61)
Show SMILES COc1ccc(c(F)c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
Show InChI InChI=1S/C22H22FN7O2/c1-32-15-3-4-19(17(23)11-15)30-20(12-18(28-30)14-5-8-24-9-6-14)27-22(31)16-13-26-29-10-2-7-25-21(16)29/h2-4,7,10-14,24H,5-6,8-9H2,1H3,(H,27,31)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188806
PNG
(US9169260, 72)
Show SMILES Fc1cc(ccc1-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1)C1CC1
Show InChI InChI=1S/C24H24FN7O/c25-19-12-17(15-2-3-15)4-5-21(19)32-22(13-20(30-32)16-6-9-26-10-7-16)29-24(33)18-14-28-31-11-1-8-27-23(18)31/h1,4-5,8,11-16,26H,2-3,6-7,9-10H2,(H,29,33)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188808
PNG
(US9169260, 74)
Show SMILES CC(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cc1F)C1CC1
Show InChI InChI=1S/C27H30FN7O/c1-17(2)33-12-8-19(9-13-33)23-15-25(31-27(36)21-16-30-34-11-3-10-29-26(21)34)35(32-23)24-7-6-20(14-22(24)28)18-4-5-18/h3,6-7,10-11,14-19H,4-5,8-9,12-13H2,1-2H3,(H,31,36)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188835
PNG
(US9169260, 101)
Show SMILES Cc1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cc1F)C1CC1
Show InChI InChI=1S/C26H21FN6O/c1-16-3-5-18(6-4-16)22-14-24(30-26(34)20-15-29-32-12-2-11-28-25(20)32)33(31-22)23-10-9-19(13-21(23)27)17-7-8-17/h2-6,9-15,17H,7-8H2,1H3,(H,30,34)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188839
PNG
(US9169260, 105)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cc(NC=O)cnc12)C1CCNCC1
Show InChI InChI=1S/C23H24N8O3/c1-34-18-4-2-17(3-5-18)31-21(10-20(29-31)15-6-8-24-9-7-15)28-23(33)19-12-27-30-13-16(26-14-32)11-25-22(19)30/h2-5,10-15,24H,6-9H2,1H3,(H,26,32)(H,28,33)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188852
PNG
(US9169260, 118)
Show SMILES COC(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cc(Br)cnc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C24H24BrN7O3/c1-15-3-5-18(6-4-15)32-21(11-20(29-32)16-7-9-30(10-8-16)24(34)35-2)28-23(33)19-13-27-31-14-17(25)12-26-22(19)31/h3-6,11-14,16H,7-10H2,1-2H3,(H,28,33)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188872
PNG
(US9169260, 138)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1=CCNCC1 |t:28|
Show InChI InChI=1S/C22H21N7O/c1-15-3-5-17(6-4-15)29-20(13-19(27-29)16-7-10-23-11-8-16)26-22(30)18-14-25-28-12-2-9-24-21(18)28/h2-7,9,12-14,23H,8,10-11H2,1H3,(H,26,30)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188873
PNG
(US9169260, 139)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)C1=C2N=CC=C[N]2=NC1)C1=CCN(CC1)S(C)(=O)=O |c:17,19,21,24,t:28|
Show InChI InChI=1S/C23H24N7O3S/c1-16-4-6-18(7-5-16)30-21(26-23(31)19-15-25-29-11-3-10-24-22(19)29)14-20(27-30)17-8-12-28(13-9-17)34(2,32)33/h3-8,10-11,14H,9,12-13,15H2,1-2H3,(H,26,31)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188881
PNG
(US9169260, 147)
Show SMILES CN1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cn1)C1CC1
Show InChI InChI=1S/C24H26N8O/c1-30-11-7-17(8-12-30)20-13-22(28-24(33)19-15-27-31-10-2-9-25-23(19)31)32(29-20)21-6-5-18(14-26-21)16-3-4-16/h2,5-6,9-10,13-17H,3-4,7-8,11-12H2,1H3,(H,28,33)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188886
PNG
(US9169260, 152)
Show SMILES Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
Show InChI InChI=1S/C21H22N8O/c1-14-3-4-18(24-12-14)29-19(11-17(27-29)15-5-8-22-9-6-15)26-21(30)16-13-25-28-10-2-7-23-20(16)28/h2-4,7,10-13,15,22H,5-6,8-9H2,1H3,(H,26,30)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188891
PNG
(US9169260, 157)
Show SMILES CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(CN)cn1
Show InChI InChI=1S/C22H25N9O3S/c1-35(33,34)29-9-5-16(6-10-29)18-11-20(31(28-18)19-4-3-15(12-23)13-25-19)27-22(32)17-14-26-30-8-2-7-24-21(17)30/h2-4,7-8,11,13-14,16H,5-6,9-10,12,23H2,1H3,(H,27,32)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188899
PNG
(US9169260, 165)
Show SMILES CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C=O)cn1
Show InChI InChI=1S/C22H22N8O4S/c1-35(33,34)28-9-5-16(6-10-28)18-11-20(30(27-18)19-4-3-15(14-31)12-24-19)26-22(32)17-13-25-29-8-2-7-23-21(17)29/h2-4,7-8,11-14,16H,5-6,9-10H2,1H3,(H,26,32)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188912
PNG
(US9169260, 178)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
Show InChI InChI=1S/C27H27N9O3S/c1-19-4-9-24(29-17-19)36-25(31-27(37)22-18-30-35-11-3-10-28-26(22)35)16-23(32-36)20-5-7-21(8-6-20)40(38,39)34-14-12-33(2)13-15-34/h3-11,16-18H,12-15H2,1-2H3,(H,31,37)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188935
PNG
(US9169260, 201)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cn1)C1CC1
Show InChI InChI=1S/C23H25N9O/c1-29-9-11-30(12-10-29)21-13-20(27-23(33)18-15-26-31-8-2-7-24-22(18)31)32(28-21)19-6-5-17(14-25-19)16-3-4-16/h2,5-8,13-16H,3-4,9-12H2,1H3,(H,27,33)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188960
PNG
(US9169260, 226)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(Cc2ccccn2)CC1
Show InChI InChI=1S/C28H28N8O/c1-20-6-8-23(9-7-20)36-26(32-28(37)24-18-31-35-14-4-13-30-27(24)35)17-25(33-36)21-10-15-34(16-11-21)19-22-5-2-3-12-29-22/h2-9,12-14,17-18,21H,10-11,15-16,19H2,1H3,(H,32,37)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188988
PNG
(US9169260, 254)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC2CC12
Show InChI InChI=1S/C28H31N7O/c1-18-3-6-21(7-4-18)35-26(31-28(36)23-17-30-34-12-2-11-29-27(23)34)16-24(32-35)19-9-13-33(14-10-19)25-8-5-20-15-22(20)25/h2-4,6-7,11-12,16-17,19-20,22,25H,5,8-10,13-15H2,1H3,(H,31,36)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188992
PNG
(US9169260, 258)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CC(C1)C#N |(8.22,1.68,;6.73,1.29,;6.33,-.2,;4.85,-.6,;3.76,.49,;4.16,1.98,;5.64,2.37,;2.27,.09,;1.79,-1.37,;.25,-1.37,;-.22,.09,;1.02,1,;1.02,2.54,;-.31,3.31,;-1.64,2.54,;-.31,4.85,;.94,5.75,;.46,7.22,;-1.08,7.22,;-2.11,8.36,;-3.62,8.04,;-4.09,6.57,;-3.06,5.43,;-1.56,5.75,;-.84,-2.46,;-2.32,-2.07,;-3.41,-3.15,;-3.01,-4.64,;-1.53,-5.04,;-.44,-3.95,;-4.1,-5.73,;-5.64,-5.73,;-5.64,-7.27,;-4.1,-7.27,;-6.73,-8.36,;-8.22,-7.96,)|
Show InChI InChI=1S/C27H28N8O/c1-18-3-5-21(6-4-18)35-25(31-27(36)23-17-30-34-10-2-9-29-26(23)34)15-24(32-35)20-7-11-33(12-8-20)22-13-19(14-22)16-28/h2-6,9-10,15,17,19-20,22H,7-8,11-14H2,1H3,(H,31,36)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188996
PNG
(US9169260, 262)
Show SMILES CN(C1CCC(CC1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1)S(C)(=O)=O |(-8.54,-6.79,;-7.05,-7.19,;-5.96,-6.1,;-6.36,-4.61,;-5.27,-3.53,;-3.78,-3.92,;-3.39,-5.41,;-4.47,-6.5,;-2.69,-2.84,;-3.09,-1.35,;-2,-.26,;-.52,-.66,;-.12,-2.14,;-1.21,-3.23,;.57,.43,;.1,1.9,;1.34,2.8,;1.34,4.34,;.01,5.11,;-1.33,4.34,;.01,6.65,;1.25,7.56,;.78,9.02,;-.76,9.02,;-1.79,10.17,;-3.3,9.85,;-3.77,8.38,;-2.74,7.24,;-1.24,7.56,;2.59,1.9,;2.11,.43,;4.08,2.3,;5.16,1.21,;6.65,1.6,;7.05,3.09,;8.54,3.49,;5.96,4.18,;4.47,3.78,;-6.65,-8.68,;-5.16,-8.28,;-6.25,-10.17,;-8.14,-9.08,)|
Show InChI InChI=1S/C29H37N9O3S/c1-20-5-10-26(31-18-20)38-27(33-29(39)24-19-32-37-14-4-13-30-28(24)37)17-25(34-38)21-11-15-36(16-12-21)23-8-6-22(7-9-23)35(2)42(3,40)41/h4-5,10,13-14,17-19,21-23H,6-9,11-12,15-16H2,1-3H3,(H,33,39)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM189002
PNG
(US9169260, 268)
Show SMILES Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCc2ccncc2C1
Show InChI InChI=1S/C30H31N9O/c1-20-3-6-27(33-17-20)39-28(35-30(40)25-19-34-38-12-2-10-32-29(25)38)16-26(36-39)22-8-13-37(14-9-22)24-5-4-21-7-11-31-18-23(21)15-24/h2-3,6-7,10-12,16-19,22,24H,4-5,8-9,13-15H2,1H3,(H,35,40)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM189006
PNG
(US9169260, 272)
Show SMILES CC1CCC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
Show InChI InChI=1S/C27H32N8O/c1-18-4-6-21(14-18)33-12-8-20(9-13-33)23-15-25(35(32-23)24-7-5-19(2)16-29-24)31-27(36)22-17-30-34-11-3-10-28-26(22)34/h3,5,7,10-11,15-18,20-21H,4,6,8-9,12-14H2,1-2H3,(H,31,36)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM189007
PNG
(US9169260, 273)
Show SMILES C[C@@H]1CCC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1 |r|
Show InChI InChI=1S/C27H32N8O/c1-18-4-6-21(14-18)33-12-8-20(9-13-33)23-15-25(35(32-23)24-7-5-19(2)16-29-24)31-27(36)22-17-30-34-11-3-10-28-26(22)34/h3,5,7,10-11,15-18,20-21H,4,6,8-9,12-14H2,1-2H3,(H,31,36)/t18-,21?/m1/s1
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM189008
PNG
(US9169260, 274)
Show SMILES Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC1
Show InChI InChI=1S/C25H28N8O/c1-17-6-7-22(27-15-17)33-23(29-25(34)20-16-28-32-11-3-10-26-24(20)32)14-21(30-33)18-8-12-31(13-9-18)19-4-2-5-19/h3,6-7,10-11,14-16,18-19H,2,4-5,8-9,12-13H2,1H3,(H,29,34)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM189013
PNG
(US9169260, 279)
Show SMILES CCN1CCC(CC1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
Show InChI InChI=1S/C28H35N9O/c1-3-34-13-9-22(10-14-34)35-15-7-21(8-16-35)24-17-26(37(33-24)25-6-5-20(2)18-30-25)32-28(38)23-19-31-36-12-4-11-29-27(23)36/h4-6,11-12,17-19,21-22H,3,7-10,13-16H2,1-2H3,(H,32,38)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM189048
PNG
(US9169260, 314)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(Cc2cccnc2)C1
Show InChI InChI=1S/C26H24N8O/c1-18-5-7-21(8-6-18)34-24(30-26(35)22-14-29-33-11-3-10-28-25(22)33)12-23(31-34)20-16-32(17-20)15-19-4-2-9-27-13-19/h2-14,20H,15-17H2,1H3,(H,30,35)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM189069
PNG
(US9169260, 338)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccc(cc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C25H19F3N6O3S/c1-15-4-6-16(7-5-15)34-22(31-24(35)19-14-30-33-11-3-10-29-23(19)33)13-21(32-34)18-9-8-17(38(2,36)37)12-20(18)25(26,27)28/h3-14H,1-2H3,(H,31,35)
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n/an/a 100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM189079
PNG
(US9169260, 348)
Show SMILES CNC(=O)c1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C25H21N7O2/c1-16-4-10-19(11-5-16)32-22(29-25(34)20-15-28-31-13-3-12-27-23(20)31)14-21(30-32)17-6-8-18(9-7-17)24(33)26-2/h3-15H,1-2H3,(H,26,33)(H,29,34)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM189084
PNG
(US9169260, 353)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C25H23N7O3S/c1-17-5-9-19(10-6-17)32-23(28-25(33)21-16-27-31-14-4-13-26-24(21)31)15-22(29-32)18-7-11-20(12-8-18)36(34,35)30(2)3/h4-16H,1-3H3,(H,28,33)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188773
PNG
(US9169260, 325 | US9169260, 39)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C27H31N7O/c1-19-7-9-22(10-8-19)34-25(30-27(35)23-18-29-33-14-4-13-28-26(23)33)17-24(31-34)20-11-15-32(16-12-20)21-5-2-3-6-21/h4,7-10,13-14,17-18,20-21H,2-3,5-6,11-12,15-16H2,1H3,(H,30,35)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188781
PNG
(US9169260, 47)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C(C)C
Show InChI InChI=1S/C25H29N7O2/c1-17(2)30-13-9-18(10-14-30)22-15-23(32(29-22)19-5-7-20(34-3)8-6-19)28-25(33)21-16-27-31-12-4-11-26-24(21)31/h4-8,11-12,15-18H,9-10,13-14H2,1-3H3,(H,28,33)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188786
PNG
(US9169260, 52)
Show SMILES O=C(Nc1cc(nn1-c1ccc(cc1)C1CC1)C1CCNCC1)c1cnn2cccnc12
Show InChI InChI=1S/C24H25N7O/c32-24(20-15-27-30-13-1-10-26-23(20)30)28-22-14-21(18-8-11-25-12-9-18)29-31(22)19-6-4-17(5-7-19)16-2-3-16/h1,4-7,10,13-16,18,25H,2-3,8-9,11-12H2,(H,28,32)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188791
PNG
(US9169260, 57)
Show SMILES Cc1ccc(c(F)c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C23H24FN7O3S/c1-15-4-5-20(18(24)12-15)31-21(27-23(32)17-14-26-30-9-3-8-25-22(17)30)13-19(28-31)16-6-10-29(11-7-16)35(2,33)34/h3-5,8-9,12-14,16H,6-7,10-11H2,1-2H3,(H,27,32)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188797
PNG
(US9169260, 63)
Show SMILES COc1ccc(c(F)c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C25H26FN7O4S/c1-37-17-3-6-22(20(26)13-17)33-23(29-25(34)19-15-28-32-10-2-9-27-24(19)32)14-21(30-33)16-7-11-31(12-8-16)38(35,36)18-4-5-18/h2-3,6,9-10,13-16,18H,4-5,7-8,11-12H2,1H3,(H,29,34)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188798
PNG
(US9169260, 64)
Show SMILES COc1ccc(c(F)c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C23H24FN7O4S/c1-35-16-4-5-20(18(24)12-16)31-21(27-23(32)17-14-26-30-9-3-8-25-22(17)30)13-19(28-31)15-6-10-29(11-7-15)36(2,33)34/h3-5,8-9,12-15H,6-7,10-11H2,1-2H3,(H,27,32)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188823
PNG
(US9169260, 89)
Show SMILES Fc1cc(ccc1-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(C1)C1CCC1)C1CC1
Show InChI InChI=1S/C26H26FN7O/c27-21-11-17(16-5-6-16)7-8-23(21)34-24(12-22(31-34)18-14-32(15-18)19-3-1-4-19)30-26(35)20-13-29-33-10-2-9-28-25(20)33/h2,7-13,16,18-19H,1,3-6,14-15H2,(H,30,35)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188830
PNG
(US9169260, 96)
Show SMILES CN(C)C(=O)C1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1 |(-.4,-9.67,;0,-8.18,;1.54,-8.18,;-1.09,-7.09,;-2.57,-7.49,;-.69,-5.61,;-1.78,-4.52,;-1.38,-3.03,;.11,-2.63,;1.2,-3.72,;.8,-5.21,;.51,-1.14,;-.4,.1,;.51,1.35,;.11,2.84,;-1.38,3.24,;-2.47,2.15,;-1.78,4.72,;-1.3,6.19,;-2.55,7.09,;-3.79,6.19,;-5.3,6.51,;-6.33,5.36,;-5.85,3.9,;-4.35,3.58,;-3.32,4.72,;1.97,.87,;1.97,-.67,;3.06,1.96,;4.55,1.56,;5.64,2.65,;5.24,4.14,;6.33,5.23,;3.75,4.54,;2.66,3.45,)|
Show InChI InChI=1S/C26H29N7O2/c1-17-5-11-20(12-6-17)33-23(29-25(34)21-16-28-32-14-4-13-27-24(21)32)15-22(30-33)18-7-9-19(10-8-18)26(35)31(2)3/h4-6,11-16,18-19H,7-10H2,1-3H3,(H,29,34)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188842
PNG
(US9169260, 108)
Show SMILES CC(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cc(Br)cnc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C25H28BrN7O/c1-16(2)31-10-8-18(9-11-31)22-12-23(33(30-22)20-6-4-17(3)5-7-20)29-25(34)21-14-28-32-15-19(26)13-27-24(21)32/h4-7,12-16,18H,8-11H2,1-3H3,(H,29,34)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188848
PNG
(US9169260, 114)
Show SMILES CCN(CC)CCC(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cc(Br)cnc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C29H35BrN8O2/c1-4-35(5-2)13-12-27(39)36-14-10-21(11-15-36)25-16-26(38(34-25)23-8-6-20(3)7-9-23)33-29(40)24-18-32-37-19-22(30)17-31-28(24)37/h6-9,16-19,21H,4-5,10-15H2,1-3H3,(H,33,40)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188882
PNG
(US9169260, 148)
Show SMILES O=C(Nc1cc(nn1-c1ccc(cn1)C1CC1)C1CCN(CC1)C1CCC1)c1cnn2cccnc12
Show InChI InChI=1S/C27H30N8O/c36-27(22-17-30-34-12-2-11-28-26(22)34)31-25-15-23(19-9-13-33(14-10-19)21-3-1-4-21)32-35(25)24-8-7-20(16-29-24)18-5-6-18/h2,7-8,11-12,15-19,21H,1,3-6,9-10,13-14H2,(H,31,36)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188883
PNG
(US9169260, 149)
Show SMILES CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cn1)C1CC1
Show InChI InChI=1S/C24H26N8O3S/c1-36(34,35)30-11-7-17(8-12-30)20-13-22(28-24(33)19-15-27-31-10-2-9-25-23(19)31)32(29-20)21-6-5-18(14-26-21)16-3-4-16/h2,5-6,9-10,13-17H,3-4,7-8,11-12H2,1H3,(H,28,33)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188919
PNG
(US9169260, 185)
Show SMILES Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCC(N)CC1 |(6.33,5.23,;5.24,4.14,;3.75,4.54,;2.66,3.45,;3.06,1.96,;4.55,1.56,;5.64,2.65,;1.97,.87,;1.97,-.67,;.51,-1.14,;-.4,.1,;.51,1.35,;.11,2.84,;-1.38,3.24,;-2.47,2.15,;-1.78,4.72,;-1.3,6.19,;-2.55,7.09,;-3.79,6.19,;-5.3,6.51,;-6.33,5.36,;-5.85,3.9,;-4.35,3.58,;-3.32,4.72,;.11,-2.63,;-1.38,-3.03,;-1.78,-4.52,;-.69,-5.61,;-1.09,-7.09,;.8,-5.21,;1.2,-3.72,)|
Show InChI InChI=1S/C22H24N8O/c1-14-3-8-19(25-12-14)30-20(11-18(28-30)15-4-6-16(23)7-5-15)27-22(31)17-13-26-29-10-2-9-24-21(17)29/h2-3,8-13,15-16H,4-7,23H2,1H3,(H,27,31)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188936
PNG
(US9169260, 202)
Show SMILES Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)N1CCOCC1
Show InChI InChI=1S/C20H20N8O2/c1-14-3-4-16(22-12-14)28-17(11-18(25-28)26-7-9-30-10-8-26)24-20(29)15-13-23-27-6-2-5-21-19(15)27/h2-6,11-13H,7-10H2,1H3,(H,24,29)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188941
PNG
(US9169260, 207)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C30H36N8O3/c1-3-41-30(40)36-17-11-23(12-18-36)35-15-9-22(10-16-35)26-19-27(38(34-26)24-7-5-21(2)6-8-24)33-29(39)25-20-32-37-14-4-13-31-28(25)37/h4-8,13-14,19-20,22-23H,3,9-12,15-18H2,1-2H3,(H,33,39)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188944
PNG
(US9169260, 210)
Show SMILES CCCC(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C27H33N7O/c1-4-6-20(3)32-15-11-21(12-16-32)24-17-25(34(31-24)22-9-7-19(2)8-10-22)30-27(35)23-18-29-33-14-5-13-28-26(23)33/h5,7-10,13-14,17-18,20-21H,4,6,11-12,15-16H2,1-3H3,(H,30,35)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188962
PNG
(US9169260, 228)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC2CCOC2)CC1
Show InChI InChI=1S/C27H31N7O2/c1-19-3-5-22(6-4-19)34-25(30-27(35)23-16-29-33-11-2-10-28-26(23)33)15-24(31-34)21-7-12-32(13-8-21)17-20-9-14-36-18-20/h2-6,10-11,15-16,20-21H,7-9,12-14,17-18H2,1H3,(H,30,35)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188963
PNG
(US9169260, 229)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(Cc2cncs2)CC1
Show InChI InChI=1S/C26H26N8OS/c1-18-3-5-20(6-4-18)34-24(30-26(35)22-15-29-33-10-2-9-28-25(22)33)13-23(31-34)19-7-11-32(12-8-19)16-21-14-27-17-36-21/h2-6,9-10,13-15,17,19H,7-8,11-12,16H2,1H3,(H,30,35)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188967
PNG
(US9169260, 233)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(Cc2cn[nH]c2)CC1
Show InChI InChI=1S/C26H27N9O/c1-18-3-5-21(6-4-18)35-24(31-26(36)22-16-30-34-10-2-9-27-25(22)34)13-23(32-35)20-7-11-33(12-8-20)17-19-14-28-29-15-19/h2-6,9-10,13-16,20H,7-8,11-12,17H2,1H3,(H,28,29)(H,31,36)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188986
PNG
(US9169260, 252)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC(CC1)NS(C)(=O)=O |(9.28,2.55,;7.79,2.15,;7.4,.66,;5.91,.26,;4.82,1.35,;5.22,2.84,;6.71,3.24,;3.33,.95,;2.86,-.51,;1.32,-.51,;.84,.95,;2.09,1.86,;2.09,3.4,;.75,4.17,;-.58,3.4,;.75,5.71,;2,6.61,;1.52,8.08,;-.02,8.08,;-1.05,9.22,;-2.55,8.9,;-3.03,7.44,;-2,6.29,;-.49,6.61,;.23,-1.6,;-1.26,-1.2,;-2.35,-2.29,;-1.95,-3.78,;-.46,-4.18,;.63,-3.09,;-3.04,-4.87,;-4.53,-4.47,;-5.62,-5.56,;-5.22,-7.04,;-3.73,-7.44,;-2.64,-6.35,;-6.31,-8.13,;-7.79,-7.74,;-8.19,-9.22,;-9.28,-7.34,;-7.4,-6.25,)|
Show InChI InChI=1S/C29H36N8O3S/c1-20-4-8-24(9-5-20)37-27(32-29(38)25-19-31-36-15-3-14-30-28(25)36)18-26(33-37)21-12-16-35(17-13-21)23-10-6-22(7-11-23)34-41(2,39)40/h3-5,8-9,14-15,18-19,21-23,34H,6-7,10-13,16-17H2,1-2H3,(H,32,38)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM188989
PNG
(US9169260, 255)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC2(CCC(=O)N2)CC1 |(9.2,2.47,;7.72,2.07,;7.32,.58,;5.83,.18,;4.74,1.27,;5.14,2.76,;6.63,3.16,;3.25,.87,;2.78,-.59,;1.24,-.59,;.76,.87,;2.01,1.78,;2.01,3.32,;.67,4.09,;-.66,3.32,;.67,5.63,;1.92,6.53,;1.44,8,;-.1,8,;-1.13,9.14,;-2.63,8.82,;-3.11,7.36,;-2.08,6.21,;-.57,6.53,;.15,-1.68,;-1.34,-1.28,;-2.43,-2.37,;-2.03,-3.86,;-.54,-4.26,;.55,-3.17,;-3.12,-4.95,;-4.6,-4.55,;-5.69,-5.64,;-5.29,-7.13,;-5.29,-8.67,;-6.76,-9.14,;-7.66,-7.9,;-9.2,-7.9,;-6.76,-6.65,;-3.81,-7.52,;-2.72,-6.44,)|
Show InChI InChI=1S/C31H36N8O2/c1-21-3-5-24(6-4-21)39-27(34-30(41)25-20-33-38-16-2-15-32-29(25)38)19-26(36-39)22-10-17-37(18-11-22)23-7-12-31(13-8-23)14-9-28(40)35-31/h2-6,15-16,19-20,22-23H,7-14,17-18H2,1H3,(H,34,41)(H,35,40)
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n/an/a<100n/an/an/an/a7.2n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...

US Patent US9169260 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G6N
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%