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Patent code US9790221

Compile Data Set for Download or QSAR

Found 574 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))		BDBM347795
PNG
(US9790221, Compound 1)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ccc(cn1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C23H24N6/c1-28-15-20(13-26-28)17-3-2-4-18(11-17)23-6-5-19(12-25-23)21-14-27-29(16-21)22-7-9-24-10-8-22/h2-6,11-16,22,24H,7-10H2,1H3
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US Patent


Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347797
PNG
(US9790221, Compound 3)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCCN(C2)C(=O)OC(C)(C)C)n1
Show InChI InChI=1S/C29H36N8O2/c1-29(2,3)39-28(38)37-11-7-8-20(17-37)13-30-27-25(24-15-33-36(5)19-24)16-31-26(34-27)22-10-6-9-21(12-22)23-14-32-35(4)18-23/h6,9-10,12,14-16,18-20H,7-8,11,13,17H2,1-5H3,(H,30,31,34)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347797
PNG
(US9790221, Compound 3)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCCN(C2)C(=O)OC(C)(C)C)n1
Show InChI InChI=1S/C29H36N8O2/c1-29(2,3)39-28(38)37-11-7-8-20(17-37)13-30-27-25(24-15-33-36(5)19-24)16-31-26(34-27)22-10-6-9-21(12-22)23-14-32-35(4)18-23/h6,9-10,12,14-16,18-20H,7-8,11,13,17H2,1-5H3,(H,30,31,34)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347801
PNG
(US9790221, Compound 7)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCNCC2)n1
Show InChI InChI=1S/C24H28N8/c1-31-15-20(12-28-31)18-4-3-5-19(10-18)23-27-14-22(21-13-29-32(2)16-21)24(30-23)26-11-17-6-8-25-9-7-17/h3-5,10,12-17,25H,6-9,11H2,1-2H3,(H,26,27,30)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347811
PNG
(US9790221, Compound 17)
Show SMILES Cc1nnc(s1)-c1cnc(nc1NC1CCCNC1)-c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C22H24N8S/c1-14-28-29-22(31-14)19-12-24-20(27-21(19)26-18-7-4-8-23-11-18)16-6-3-5-15(9-16)17-10-25-30(2)13-17/h3,5-6,9-10,12-13,18,23H,4,7-8,11H2,1-2H3,(H,24,26,27)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347811
PNG
(US9790221, Compound 17)
Show SMILES Cc1nnc(s1)-c1cnc(nc1NC1CCCNC1)-c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C22H24N8S/c1-14-28-29-22(31-14)19-12-24-20(27-21(19)26-18-7-4-8-23-11-18)16-6-3-5-15(9-16)17-10-25-30(2)13-17/h3,5-6,9-10,12-13,18,23H,4,7-8,11H2,1-2H3,(H,24,26,27)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347814
PNG
(US9790221, Compound 20)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2nnc(s2)C(=O)N2CC[C@@H](O)C2)c(NC2CCCNC2)n1 |r|
Show InChI InChI=1S/C26H29N9O2S/c1-34-14-18(11-29-34)16-4-2-5-17(10-16)22-28-13-21(23(31-22)30-19-6-3-8-27-12-19)24-32-33-25(38-24)26(37)35-9-7-20(36)15-35/h2,4-5,10-11,13-14,19-20,27,36H,3,6-9,12,15H2,1H3,(H,28,30,31)/t19?,20-/m1/s1
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347815
PNG
(US9790221, Compound 21)
Show SMILES CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N1CC[C@H](O)C1)-c1cccc(c1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C25H27N7O2S/c1-15(2)28-22-10-21(17-6-4-5-16(9-17)18-11-27-31(3)13-18)26-12-20(22)23-29-30-24(35-23)25(34)32-8-7-19(33)14-32/h4-6,9-13,15,19,33H,7-8,14H2,1-3H3,(H,26,28)/t19-/m0/s1
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347824
PNG
(US9790221, Compound 30)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC2)n1
Show InChI InChI=1S/C21H21N7/c1-27-12-16(9-23-27)14-4-3-5-15(8-14)20-22-11-19(17-10-24-28(2)13-17)21(26-20)25-18-6-7-18/h3-5,8-13,18H,6-7H2,1-2H3,(H,22,25,26)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347828
PNG
(US9790221, Compound 34)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCN)n1
Show InChI InChI=1S/C20H22N8/c1-27-12-16(9-24-27)14-4-3-5-15(8-14)19-23-11-18(17-10-25-28(2)13-17)20(26-19)22-7-6-21/h3-5,8-13H,6-7,21H2,1-2H3,(H,22,23,26)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347829
PNG
(US9790221, Compound 35)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCO)n1
Show InChI InChI=1S/C21H23N7O/c1-27-13-17(10-24-27)15-5-3-6-16(9-15)20-23-12-19(18-11-25-28(2)14-18)21(26-20)22-7-4-8-29/h3,5-6,9-14,29H,4,7-8H2,1-2H3,(H,22,23,26)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347830
PNG
(US9790221, Compound 36)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCN2CCOCC2)n1
Show InChI InChI=1S/C24H28N8O/c1-30-16-20(13-27-30)18-4-3-5-19(12-18)23-26-15-22(21-14-28-31(2)17-21)24(29-23)25-6-7-32-8-10-33-11-9-32/h3-5,12-17H,6-11H2,1-2H3,(H,25,26,29)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347830
PNG
(US9790221, Compound 36)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCN2CCOCC2)n1
Show InChI InChI=1S/C24H28N8O/c1-30-16-20(13-27-30)18-4-3-5-19(12-18)23-26-15-22(21-14-28-31(2)17-21)24(29-23)25-6-7-32-8-10-33-11-9-32/h3-5,12-17H,6-11H2,1-2H3,(H,25,26,29)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347833
PNG
(US9790221, Compound 39)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCN2CCCC2=O)n1
Show InChI InChI=1S/C24H26N8O/c1-30-15-19(12-27-30)17-5-3-6-18(11-17)23-26-14-21(20-13-28-31(2)16-20)24(29-23)25-8-10-32-9-4-7-22(32)33/h3,5-6,11-16H,4,7-10H2,1-2H3,(H,25,26,29)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347834
PNG
(US9790221, Compound 40)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCN2CCCC2=O)n1
Show InChI InChI=1S/C25H28N8O/c1-31-16-20(13-28-31)18-6-3-7-19(12-18)24-27-15-22(21-14-29-32(2)17-21)25(30-24)26-9-5-11-33-10-4-8-23(33)34/h3,6-7,12-17H,4-5,8-11H2,1-2H3,(H,26,27,30)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347836
PNG
(US9790221, Compound 42)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CC(F)(F)C2)n1
Show InChI InChI=1S/C23H23F2N7/c1-31-13-18(10-28-31)16-4-3-5-17(6-16)21-27-12-20(19-11-29-32(2)14-19)22(30-21)26-9-15-7-23(24,25)8-15/h3-6,10-15H,7-9H2,1-2H3,(H,26,27,30)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347836
PNG
(US9790221, Compound 42)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CC(F)(F)C2)n1
Show InChI InChI=1S/C23H23F2N7/c1-31-13-18(10-28-31)16-4-3-5-17(6-16)21-27-12-20(19-11-29-32(2)14-19)22(30-21)26-9-15-7-23(24,25)8-15/h3-6,10-15H,7-9H2,1-2H3,(H,26,27,30)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347840
PNG
(US9790221, Compound 46)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2C[C@H](O)C2)n1 |r,wU:24.26,26.29,(3.6,5.83,;2.11,6.23,;1.2,4.98,;-.26,5.46,;-.26,7,;1.21,7.48,;-1.59,4.7,;-2.93,5.47,;-4.26,4.7,;-4.27,3.16,;-2.93,2.39,;-1.6,3.16,;-2.94,.85,;-4.27,.08,;-4.28,-1.46,;-2.94,-2.23,;-2.95,-3.77,;-4.2,-4.67,;-3.72,-6.14,;-2.18,-6.14,;-1.41,-7.48,;-1.7,-4.68,;-1.61,-1.46,;-.28,-2.24,;1.06,-1.47,;2.54,-1.87,;2.94,-.38,;4.28,.39,;1.46,.02,;-1.61,.08,)|
Show InChI InChI=1S/C22H23N7O/c1-28-12-16(9-24-28)14-4-3-5-15(6-14)21-23-11-20(17-10-25-29(2)13-17)22(27-21)26-18-7-19(30)8-18/h3-6,9-13,18-19,30H,7-8H2,1-2H3,(H,23,26,27)/t18-,19+
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347846
PNG
(US9790221, Compound 52)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2(O)COC2)n1
Show InChI InChI=1S/C22H23N7O2/c1-28-10-17(7-25-28)15-4-3-5-16(6-15)20-23-9-19(18-8-26-29(2)11-18)21(27-20)24-12-22(30)13-31-14-22/h3-11,30H,12-14H2,1-2H3,(H,23,24,27)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347846
PNG
(US9790221, Compound 52)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2(O)COC2)n1
Show InChI InChI=1S/C22H23N7O2/c1-28-10-17(7-25-28)15-4-3-5-16(6-15)20-23-9-19(18-8-26-29(2)11-18)21(27-20)24-12-22(30)13-31-14-22/h3-11,30H,12-14H2,1-2H3,(H,23,24,27)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347847
PNG
(US9790221, Compound 53)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2(CO)CCC2)n1
Show InChI InChI=1S/C24H27N7O/c1-30-13-19(10-27-30)17-5-3-6-18(9-17)22-25-12-21(20-11-28-31(2)14-20)23(29-22)26-15-24(16-32)7-4-8-24/h3,5-6,9-14,32H,4,7-8,15-16H2,1-2H3,(H,25,26,29)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347853
PNG
(US9790221, Compound 59)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CNCCO2)n1
Show InChI InChI=1S/C23H26N8O/c1-30-14-18(9-27-30)16-4-3-5-17(8-16)22-26-13-21(19-10-28-31(2)15-19)23(29-22)25-12-20-11-24-6-7-32-20/h3-5,8-10,13-15,20,24H,6-7,11-12H2,1-2H3,(H,25,26,29)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347857
PNG
(US9790221, Compound 63)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2COC2)n1
Show InChI InChI=1S/C22H23N7O/c1-28-11-18(8-25-28)16-4-3-5-17(6-16)21-24-10-20(19-9-26-29(2)12-19)22(27-21)23-7-15-13-30-14-15/h3-6,8-12,15H,7,13-14H2,1-2H3,(H,23,24,27)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347861
PNG
(US9790221, Compound 67)
Show SMILES Cn1ccc(n1)-c1cnc(nc1NCCCN1CCOC1=O)-c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C24H26N8O2/c1-30-10-7-21(29-30)20-15-26-22(18-6-3-5-17(13-18)19-14-27-31(2)16-19)28-23(20)25-8-4-9-32-11-12-34-24(32)33/h3,5-7,10,13-16H,4,8-9,11-12H2,1-2H3,(H,25,26,28)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347863
PNG
(US9790221, Compound 69)
Show SMILES Cn1ccc(n1)-c1cnc(nc1NCCN1CCOCC1)-c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C24H28N8O/c1-30-8-6-22(29-30)21-16-26-23(28-24(21)25-7-9-32-10-12-33-13-11-32)19-5-3-4-18(14-19)20-15-27-31(2)17-20/h3-6,8,14-17H,7,9-13H2,1-2H3,(H,25,26,28)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347865
PNG
(US9790221, Compound 71)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2ccn(C)n2)c(NCC2(C)CCC2)n1
Show InChI InChI=1S/C24H27N7/c1-24(9-5-10-24)16-26-23-20(21-8-11-30(2)29-21)14-25-22(28-23)18-7-4-6-17(12-18)19-13-27-31(3)15-19/h4,6-8,11-15H,5,9-10,16H2,1-3H3,(H,25,26,28)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347880
PNG
(US9790221, Compound 86)
Show SMILES CN1C(=O)CC[C@]11CC[C@@H](CC1)n1cc(cn1)-c1cnc(nc1NCC1CCNCC1)-c1cccc(c1)-c1cnn(C)c1 |r,wU:9.13,6.6,(-6.28,-7.79,;-4.94,-8.56,;-4.94,-10.1,;-6.28,-10.87,;-3.48,-10.57,;-2.57,-9.33,;-3.48,-8.08,;-1.94,-8.08,;-1.17,-6.75,;-1.94,-5.41,;-3.48,-5.41,;-4.25,-6.75,;-1.17,-4.08,;-1.64,-2.61,;-.39,-1.71,;.85,-2.62,;.37,-4.08,;-.39,-.17,;-1.72,.6,;-1.72,2.14,;-.38,2.91,;.95,2.13,;.94,.59,;2.28,-.18,;2.28,-1.72,;3.61,-2.49,;3.61,-4.03,;4.94,-4.8,;6.28,-4.03,;6.28,-2.49,;4.94,-1.72,;-.38,4.45,;-1.71,5.22,;-1.71,6.76,;-.37,7.53,;.96,6.75,;.96,5.21,;2.29,7.52,;3.76,7.04,;4.67,8.29,;3.76,9.53,;4.53,10.87,;2.3,9.06,)|
Show InChI InChI=1S/C33H41N9O/c1-40-21-26(18-37-40)24-4-3-5-25(16-24)31-36-20-29(32(39-31)35-17-23-9-14-34-15-10-23)27-19-38-42(22-27)28-6-11-33(12-7-28)13-8-30(43)41(33)2/h3-5,16,18-23,28,34H,6-15,17H2,1-2H3,(H,35,36,39)/t28-,33+
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347881
PNG
(US9790221, Compound 87)
Show SMILES CN1C(=O)CC[C@]11CC[C@@H](CC1)n1cc(cn1)-c1cnc(nc1NCC1CCN(C)CC1)-c1cccc(c1)-c1cnn(C)c1 |r,wU:9.13,6.6,(-6.94,-7.79,;-5.61,-8.56,;-5.61,-10.1,;-6.94,-10.87,;-4.15,-10.57,;-3.24,-9.33,;-4.15,-8.08,;-2.61,-8.08,;-1.84,-6.75,;-2.61,-5.41,;-4.15,-5.41,;-4.92,-6.75,;-1.84,-4.08,;-2.31,-2.61,;-1.06,-1.71,;.18,-2.62,;-.3,-4.08,;-1.06,-.17,;-2.39,.6,;-2.39,2.14,;-1.05,2.91,;.28,2.13,;.28,.59,;1.61,-.18,;1.61,-1.72,;2.94,-2.49,;2.94,-4.03,;4.28,-4.8,;5.61,-4.03,;6.94,-4.8,;5.61,-2.49,;4.28,-1.72,;-1.05,4.45,;-2.38,5.22,;-2.37,6.76,;-1.04,7.53,;.29,6.75,;.29,5.21,;1.63,7.52,;3.09,7.04,;4,8.29,;3.1,9.53,;3.87,10.87,;1.63,9.06,)|
Show InChI InChI=1S/C34H43N9O/c1-40-15-10-24(11-16-40)18-35-33-30(21-36-32(39-33)26-6-4-5-25(17-26)27-19-37-41(2)22-27)28-20-38-43(23-28)29-7-12-34(13-8-29)14-9-31(44)42(34)3/h4-6,17,19-24,29H,7-16,18H2,1-3H3,(H,35,36,39)/t29-,34+
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347886
PNG
(US9790221, Compound 92)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2(CO)COC2)n1
Show InChI InChI=1S/C22H23N7O2/c1-28-10-17(7-24-28)15-4-3-5-16(6-15)20-23-9-19(18-8-25-29(2)11-18)21(26-20)27-22(12-30)13-31-14-22/h3-11,30H,12-14H2,1-2H3,(H,23,26,27)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347890
PNG
(US9790221, Compound 96)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCO)n1
Show InChI InChI=1S/C20H21N7O/c1-26-12-16(9-23-26)14-4-3-5-15(8-14)19-22-11-18(17-10-24-27(2)13-17)20(25-19)21-6-7-28/h3-5,8-13,28H,6-7H2,1-2H3,(H,21,22,25)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347898
PNG
(US9790221, Compound 104)
Show SMILES Cn1ccc(n1)-c1cnc(nc1NC[C@H]1CCNC1)-c1cccc(c1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C23H26N8/c1-30-9-7-21(29-30)20-14-26-22(28-23(20)25-12-16-6-8-24-11-16)18-5-3-4-17(10-18)19-13-27-31(2)15-19/h3-5,7,9-10,13-16,24H,6,8,11-12H2,1-2H3,(H,25,26,28)/t16-/m0/s1
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347900
PNG
(US9790221, Compound 106)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2nnc(s2)C(=O)N2CC[C@@H](O)C2)c(NCC2CNC2)n1 |r|
Show InChI InChI=1S/C25H27N9O2S/c1-33-13-18(11-29-33)16-3-2-4-17(7-16)21-28-12-20(22(30-21)27-10-15-8-26-9-15)23-31-32-24(37-23)25(36)34-6-5-19(35)14-34/h2-4,7,11-13,15,19,26,35H,5-6,8-10,14H2,1H3,(H,27,28,30)/t19-/m1/s1
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347902
PNG
(US9790221, Compound 108)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CC[C@H](N)C2)n1 |r|
Show InChI InChI=1S/C23H26N8/c1-30-13-17(10-26-30)15-4-3-5-16(8-15)22-25-12-21(18-11-27-31(2)14-18)23(29-22)28-20-7-6-19(24)9-20/h3-5,8,10-14,19-20H,6-7,9,24H2,1-2H3,(H,25,28,29)/t19-,20+/m0/s1
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347904
PNG
(US9790221, Compound 110)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCN2CCC(O)CC2)n1
Show InChI InChI=1S/C25H30N8O/c1-31-16-20(13-28-31)18-4-3-5-19(12-18)24-27-15-23(21-14-29-32(2)17-21)25(30-24)26-8-11-33-9-6-22(34)7-10-33/h3-5,12-17,22,34H,6-11H2,1-2H3,(H,26,27,30)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347906
PNG
(US9790221, Compound 112)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2(O)CCNCC2(C)C)n1
Show InChI InChI=1S/C26H32N8O/c1-25(2)16-27-9-8-26(25,35)17-29-24-22(21-12-31-34(4)15-21)13-28-23(32-24)19-7-5-6-18(10-19)20-11-30-33(3)14-20/h5-7,10-15,27,35H,8-9,16-17H2,1-4H3,(H,28,29,32)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347909
PNG
(US9790221, Compound 115)
Show SMILES Cn1ccc(n1)-c1cnc(nc1NCC1CNCCO1)-c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C23H26N8O/c1-30-8-6-21(29-30)20-14-26-22(28-23(20)25-13-19-12-24-7-9-32-19)17-5-3-4-16(10-17)18-11-27-31(2)15-18/h3-6,8,10-11,14-15,19,24H,7,9,12-13H2,1-2H3,(H,25,26,28)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347913
PNG
(US9790221, Compound 119)
Show SMILES Cn1ccc(n1)-c1cnc(nc1NC1CCOC1)-c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C22H23N7O/c1-28-8-6-20(27-28)19-12-23-21(26-22(19)25-18-7-9-30-14-18)16-5-3-4-15(10-16)17-11-24-29(2)13-17/h3-6,8,10-13,18H,7,9,14H2,1-2H3,(H,23,25,26)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347916
PNG
(US9790221, Compound 122)
Show SMILES Cn1ccc(n1)-c1cnc(nc1NCC1CCCC(O)C1)-c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C25H29N7O/c1-31-10-9-23(30-31)22-15-27-24(29-25(22)26-13-17-5-3-8-21(33)11-17)19-7-4-6-18(12-19)20-14-28-32(2)16-20/h4,6-7,9-10,12,14-17,21,33H,3,5,8,11,13H2,1-2H3,(H,26,27,29)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347918
PNG
(US9790221, Compound 124)
Show SMILES Cn1ccc(n1)-c1cnc(nc1N[C@@H]1C[C@H](N)C1)-c1cccc(c1)-c1cnn(C)c1 |r,wU:13.14,15.17,(-1.42,-7.48,;-2.19,-6.14,;-3.73,-6.14,;-4.2,-4.67,;-2.95,-3.77,;-1.71,-4.68,;-2.95,-2.23,;-4.28,-1.46,;-4.28,.08,;-2.94,.85,;-1.61,.08,;-1.61,-1.46,;-.28,-2.24,;1.06,-1.47,;2.54,-1.87,;2.94,-.39,;4.28,.38,;1.46,.02,;-2.94,2.39,;-4.27,3.16,;-4.26,4.7,;-2.93,5.47,;-1.6,4.7,;-1.6,3.16,;-.26,5.46,;-.26,7,;1.21,7.48,;2.11,6.23,;3.6,5.83,;1.2,4.98,)|
Show InChI InChI=1S/C22H24N8/c1-29-7-6-20(28-29)19-12-24-21(27-22(19)26-18-9-17(23)10-18)15-5-3-4-14(8-15)16-11-25-30(2)13-16/h3-8,11-13,17-18H,9-10,23H2,1-2H3,(H,24,26,27)/t17-,18+
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347922
PNG
(US9790221, Compound 128)
Show SMILES Cc1nnc(s1)-c1cnc(nc1NC1CCC(N)CC1)-c1cccc(c1)-c1cnn(C)c1 |(-5.09,-8.14,;-4.31,-6.81,;-2.77,-6.81,;-2.29,-5.35,;-3.53,-4.44,;-4.78,-5.34,;-3.53,-2.9,;-4.86,-2.13,;-4.86,-.59,;-3.52,.18,;-2.19,-.59,;-2.2,-2.13,;-.86,-2.91,;.62,-2.51,;1.71,-3.6,;3.2,-3.2,;3.6,-1.71,;5.09,-1.31,;2.51,-.62,;1.02,-1.02,;-3.52,1.72,;-4.85,2.49,;-4.85,4.03,;-3.51,4.8,;-2.18,4.03,;-2.18,2.49,;-.85,4.79,;.62,4.31,;1.53,5.56,;.62,6.8,;1.39,8.14,;-.84,6.33,)|
Show InChI InChI=1S/C23H26N8S/c1-14-29-30-23(32-14)20-12-25-21(28-22(20)27-19-8-6-18(24)7-9-19)16-5-3-4-15(10-16)17-11-26-31(2)13-17/h3-5,10-13,18-19H,6-9,24H2,1-2H3,(H,25,27,28)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347928
PNG
(US9790221, Compound 134)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(O[C@@H]2CCC[C@@H](N)[C@@H]2O)n1 |r|
Show InChI InChI=1S/C24H27N7O2/c1-30-13-17(10-27-30)15-5-3-6-16(9-15)23-26-12-19(18-11-28-31(2)14-18)24(29-23)33-21-8-4-7-20(25)22(21)32/h3,5-6,9-14,20-22,32H,4,7-8,25H2,1-2H3/t20-,21-,22+/m1/s1
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347929
PNG
(US9790221, Compound 135)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCC(C)(C)O)n1
Show InChI InChI=1S/C23H27N7O/c1-23(2,31)8-9-24-22-20(19-12-27-30(4)15-19)13-25-21(28-22)17-7-5-6-16(10-17)18-11-26-29(3)14-18/h5-7,10-15,31H,8-9H2,1-4H3,(H,24,25,28)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347934
PNG
(US9790221, Compound 140)
Show SMILES Cn1ccc(n1)-c1cnc(nc1NCCCC(C)(C)O)-c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C24H29N7O/c1-24(2,32)10-6-11-25-23-20(21-9-12-30(3)29-21)15-26-22(28-23)18-8-5-7-17(13-18)19-14-27-31(4)16-19/h5,7-9,12-16,32H,6,10-11H2,1-4H3,(H,25,26,28)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347938
PNG
(US9790221, Compound 144)
Show SMILES Cn1ccc(n1)-c1cnc(nc1NCC1CCNC1)-c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C23H26N8/c1-30-9-7-21(29-30)20-14-26-22(28-23(20)25-12-16-6-8-24-11-16)18-5-3-4-17(10-18)19-13-27-31(2)15-19/h3-5,7,9-10,13-16,24H,6,8,11-12H2,1-2H3,(H,25,26,28)
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347939
PNG
(US9790221, Compound 145)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCNC2)n1
Show InChI InChI=1S/C23H26N8/c1-30-14-19(11-27-30)17-4-3-5-18(8-17)22-26-13-21(20-12-28-31(2)15-20)23(29-22)25-10-16-6-7-24-9-16/h3-5,8,11-16,24H,6-7,9-10H2,1-2H3,(H,25,26,29)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347944
PNG
(US9790221, Compound 150)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCC3CNCC23)n1
Show InChI InChI=1S/C25H28N8/c1-32-14-19(10-28-32)16-4-3-5-17(8-16)24-27-13-22(20-11-29-33(2)15-20)25(31-24)30-23-7-6-18-9-26-12-21(18)23/h3-5,8,10-11,13-15,18,21,23,26H,6-7,9,12H2,1-2H3,(H,27,30,31)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347946
PNG
(US9790221, Compound 152)
Show SMILES Cn1ccc(n1)-c1cnc(nc1NC1C2CCCC1CC(N)C2)-c1cccc(c1)-c1cnn(C)c1 |THB:21:20:13:15.17.16,12:13:15.17.16:19.22.20,(-1.52,-7.48,;-2.29,-6.15,;-3.83,-6.15,;-4.3,-4.68,;-3.06,-3.78,;-1.81,-4.68,;-3.06,-2.24,;-4.39,-1.47,;-4.39,.07,;-3.06,.84,;-1.72,.07,;-1.72,-1.47,;-.39,-2.24,;.94,-1.47,;1.34,.02,;2.88,.02,;4.2,.81,;3.8,-.67,;2.26,-.67,;2.26,.87,;3.06,2.19,;4.39,2.96,;1.33,1.79,;-3.06,2.38,;-4.39,3.15,;-4.39,4.69,;-3.06,5.46,;-1.72,4.69,;-1.72,3.15,;-.39,5.46,;-.39,7,;1.08,7.48,;1.98,6.23,;3.47,5.84,;1.08,4.99,)|
Show InChI InChI=1S/C27H32N8/c1-34-10-9-24(33-34)23-15-29-26(20-8-3-5-17(11-20)21-14-30-35(2)16-21)32-27(23)31-25-18-6-4-7-19(25)13-22(28)12-18/h3,5,8-11,14-16,18-19,22,25H,4,6-7,12-13,28H2,1-2H3,(H,29,31,32)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347956
PNG
(US9790221, Compound 162)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCC[C@H](O)C2)n1 |r|
Show InChI InChI=1S/C24H27N7O/c1-30-14-18(11-26-30)16-5-3-6-17(9-16)23-25-13-22(19-12-27-31(2)15-19)24(29-23)28-20-7-4-8-21(32)10-20/h3,5-6,9,11-15,20-21,32H,4,7-8,10H2,1-2H3,(H,25,28,29)/t20-,21-/m0/s1
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM347956
PNG
(US9790221, Compound 162)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCC[C@H](O)C2)n1 |r|
Show InChI InChI=1S/C24H27N7O/c1-30-14-18(11-26-30)16-5-3-6-17(9-16)23-25-13-22(19-12-27-31(2)15-19)24(29-23)28-20-7-4-8-21(32)10-20/h3,5-6,9,11-15,20-21,32H,4,7-8,10H2,1-2H3,(H,25,28,29)/t20-,21-/m0/s1
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Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))		BDBM347960
PNG
(US9790221, Compound 166)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCOC2)n1
Show InChI InChI=1S/C23H25N7O/c1-29-13-19(10-26-29)17-4-3-5-18(8-17)22-25-12-21(20-11-27-30(2)14-20)23(28-22)24-9-16-6-7-31-15-16/h3-5,8,10-14,16H,6-7,9,15H2,1-2H3,(H,24,25,28)
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Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...

US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%