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26 similar compounds to monomer 50068472

Compile data set for download or QSAR
Wt: 429.5
BDBM50068403		Wt: 401.4
BDBM50068406		Wt: 387.4
BDBM50068407		Wt: 374.4
BDBM50068461		Wt: 374.4
BDBM50068462
Wt: 374.4
BDBM50068463		Wt: 451.5
BDBM50068539		Wt: 373.4
BDBM50068408		Wt: 403.4
BDBM50068409		Wt: 388.4
BDBM50068410
Wt: 398.4
BDBM50068411		Wt: 407.8
BDBM50068412		Wt: 445.5
BDBM50068474		Wt: 427.5
BDBM50068476		Wt: 457.5
BDBM50068535
Displayed 1 to 15 (of 26 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50068403,50068406,50068407,50068461,50068462,50068463,50068539,50068408,50068409,50068410,50068411,50068412,50068474,50068476,50068535   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50068461
PNG
(CHEMBL3403439 | US9598440, 83)
Show SMILES Nc1ncc(-c2nc3cccnc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1
Show InChI InChI=1S/C16H18N6O3S/c17-16-19-5-8(14-21-9-2-1-3-18-15(9)26-14)13(22-16)20-10-4-7(6-23)11(24)12(10)25/h1-3,5,7,10-12,23-25H,4,6H2,(H3,17,19,20,22)/t7-,10-,11-,12+/m1/s1
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n/an/a 530n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant full-length IRAK4 expressed in Sf9 insect cells assessed as reduction in substrate phosphorylat...

Bioorg Med Chem Lett 25: 1836-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.043
BindingDB Entry DOI: 10.7270/Q20P11QQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50068461
PNG
(CHEMBL3403439 | US9598440, 83)
Show SMILES Nc1ncc(-c2nc3cccnc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1
Show InChI InChI=1S/C16H18N6O3S/c17-16-19-5-8(14-21-9-2-1-3-18-15(9)26-14)13(22-16)20-10-4-7(6-23)11(24)12(10)25/h1-3,5,7,10-12,23-25H,4,6H2,(H3,17,19,20,22)/t7-,10-,11-,12+/m1/s1
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US Patent
n/an/a 1.03n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...

US Patent US9598440 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T6V
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50068463
PNG
(CHEMBL3403441 | US9598440, 20)
Show SMILES Nc1ncc(-c2nc3cnccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1
Show InChI InChI=1S/C16H18N6O3S/c17-16-19-4-8(15-21-10-5-18-2-1-11(10)26-15)14(22-16)20-9-3-7(6-23)12(24)13(9)25/h1-2,4-5,7,9,12-13,23-25H,3,6H2,(H3,17,19,20,22)/t7-,9-,12-,13+/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant full-length IRAK4 expressed in Sf9 insect cells assessed as reduction in substrate phosphorylat...

Bioorg Med Chem Lett 25: 1836-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.043
BindingDB Entry DOI: 10.7270/Q20P11QQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50068474
PNG
(CHEMBL3403448 | US9598440, 16)
Show SMILES COCCCNc1ncc(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1
Show InChI InChI=1S/C21H27N5O4S/c1-30-8-4-7-22-21-23-10-13(20-25-14-5-2-3-6-16(14)31-20)19(26-21)24-15-9-12(11-27)17(28)18(15)29/h2-3,5-6,10,12,15,17-18,27-29H,4,7-9,11H2,1H3,(H2,22,23,24,26)/t12-,15-,17-,18+/m1/s1
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n/an/a 2.28E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant full-length IRAK4 expressed in Sf9 insect cells assessed as reduction in substrate phosphorylat...

Bioorg Med Chem Lett 25: 1836-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.043
BindingDB Entry DOI: 10.7270/Q20P11QQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50068476
PNG
(CHEMBL3403449 | US9598440, 15)
Show SMILES OC[C@H]1C[C@@H](Nc2nc(NCC3CC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C21H25N5O3S/c27-10-12-7-15(18(29)17(12)28)24-19-13(9-23-21(26-19)22-8-11-5-6-11)20-25-14-3-1-2-4-16(14)30-20/h1-4,9,11-12,15,17-18,27-29H,5-8,10H2,(H2,22,23,24,26)/t12-,15-,17-,18+/m1/s1
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n/an/a 3.33E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant full-length IRAK4 expressed in Sf9 insect cells assessed as reduction in substrate phosphorylat...

Bioorg Med Chem Lett 25: 1836-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.043
BindingDB Entry DOI: 10.7270/Q20P11QQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50068535
PNG
(CHEMBL3403452 | US9598440, 17)
Show SMILES OC[C@H]1C[C@@H](Nc2nc(NC3CCOCC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C22H27N5O4S/c28-11-12-9-16(19(30)18(12)29)25-20-14(21-26-15-3-1-2-4-17(15)32-21)10-23-22(27-20)24-13-5-7-31-8-6-13/h1-4,10,12-13,16,18-19,28-30H,5-9,11H2,(H2,23,24,25,27)/t12-,16-,18-,19+/m1/s1
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n/an/a 1.08E+6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant full-length IRAK4 expressed in Sf9 insect cells assessed as reduction in substrate phosphorylat...

Bioorg Med Chem Lett 25: 1836-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.043
BindingDB Entry DOI: 10.7270/Q20P11QQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50068539
PNG
(CHEMBL3403456 | US9598440, 26)
Show SMILES OC[C@H]1C[C@@H](Nc2nc(Nc3cncnc3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C21H21N7O3S/c29-9-11-5-15(18(31)17(11)30)26-19-13(20-27-14-3-1-2-4-16(14)32-20)8-24-21(28-19)25-12-6-22-10-23-7-12/h1-4,6-8,10-11,15,17-18,29-31H,5,9H2,(H2,24,25,26,28)/t11-,15-,17-,18+/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant full-length IRAK4 expressed in Sf9 insect cells assessed as reduction in substrate phosphorylat...

Bioorg Med Chem Lett 25: 1836-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.043
BindingDB Entry DOI: 10.7270/Q20P11QQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50068403
PNG
(CHEMBL2018068)
Show SMILES CCCNc1nc(C)c(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1
Show InChI InChI=1S/C21H27N5O3S/c1-3-8-22-21-23-11(2)16(20-25-13-6-4-5-7-15(13)30-20)19(26-21)24-14-9-12(10-27)17(28)18(14)29/h4-7,12,14,17-18,27-29H,3,8-10H2,1-2H3,(H2,22,23,24,26)/t12-,14-,17-,18+/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant full-length IRAK4 expressed in Sf9 insect cells assessed as reduction in substrate phosphorylat...

Bioorg Med Chem Lett 25: 1836-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.043
BindingDB Entry DOI: 10.7270/Q20P11QQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50068406
PNG
(CHEMBL3403429)
Show SMILES CCc1nc(N)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1
Show InChI InChI=1S/C19H23N5O3S/c1-2-10-14(18-22-11-5-3-4-6-13(11)28-18)17(24-19(20)23-10)21-12-7-9(8-25)15(26)16(12)27/h3-6,9,12,15-16,25-27H,2,7-8H2,1H3,(H3,20,21,23,24)/t9-,12-,15-,16+/m1/s1
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n/an/a 6.85E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant full-length IRAK4 expressed in Sf9 insect cells assessed as reduction in substrate phosphorylat...

Bioorg Med Chem Lett 25: 1836-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.043
BindingDB Entry DOI: 10.7270/Q20P11QQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50068407
PNG
(CHEMBL2018065)
Show SMILES Cc1nc(N)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1
Show InChI InChI=1S/C18H21N5O3S/c1-8-13(17-22-10-4-2-3-5-12(10)27-17)16(23-18(19)20-8)21-11-6-9(7-24)14(25)15(11)26/h2-5,9,11,14-15,24-26H,6-7H2,1H3,(H3,19,20,21,23)/t9-,11-,14-,15+/m1/s1
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n/an/a 1.06E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant full-length IRAK4 expressed in Sf9 insect cells assessed as reduction in substrate phosphorylat...

Bioorg Med Chem Lett 25: 1836-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.043
BindingDB Entry DOI: 10.7270/Q20P11QQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50068408
PNG
(CHEMBL2018064)
Show SMILES Nc1ncc(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1
Show InChI InChI=1S/C17H19N5O3S/c18-17-19-6-9(16-21-10-3-1-2-4-12(10)26-16)15(22-17)20-11-5-8(7-23)13(24)14(11)25/h1-4,6,8,11,13-14,23-25H,5,7H2,(H3,18,19,20,22)/t8-,11-,13-,14+/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant full-length IRAK4 expressed in Sf9 insect cells assessed as reduction in substrate phosphorylat...

Bioorg Med Chem Lett 25: 1836-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.043
BindingDB Entry DOI: 10.7270/Q20P11QQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50068409
PNG
(CHEMBL3403428)
Show SMILES COc1nc(N)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1
Show InChI InChI=1S/C18H21N5O4S/c1-27-16-12(17-21-9-4-2-3-5-11(9)28-17)15(22-18(19)23-16)20-10-6-8(7-24)13(25)14(10)26/h2-5,8,10,13-14,24-26H,6-7H2,1H3,(H3,19,20,22,23)/t8-,10-,13-,14+/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant full-length IRAK4 expressed in Sf9 insect cells assessed as reduction in substrate phosphorylat...

Bioorg Med Chem Lett 25: 1836-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.043
BindingDB Entry DOI: 10.7270/Q20P11QQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50068410
PNG
(CHEMBL3403427)
Show SMILES Nc1nc(N)c(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1
Show InChI InChI=1S/C17H20N6O3S/c18-14-11(16-21-8-3-1-2-4-10(8)27-16)15(23-17(19)22-14)20-9-5-7(6-24)12(25)13(9)26/h1-4,7,9,12-13,24-26H,5-6H2,(H5,18,19,20,22,23)/t7-,9-,12-,13+/m1/s1
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n/an/a 5.19E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant full-length IRAK4 expressed in Sf9 insect cells assessed as reduction in substrate phosphorylat...

Bioorg Med Chem Lett 25: 1836-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.043
BindingDB Entry DOI: 10.7270/Q20P11QQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50068411
PNG
(CHEMBL3403426)
Show SMILES Nc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(n1)C#N
Show InChI InChI=1S/C18H18N6O3S/c19-6-11-13(17-22-9-3-1-2-4-12(9)28-17)16(24-18(20)23-11)21-10-5-8(7-25)14(26)15(10)27/h1-4,8,10,14-15,25-27H,5,7H2,(H3,20,21,23,24)/t8-,10-,14-,15+/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant full-length IRAK4 expressed in Sf9 insect cells assessed as reduction in substrate phosphorylat...

Bioorg Med Chem Lett 25: 1836-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.043
BindingDB Entry DOI: 10.7270/Q20P11QQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50068412
PNG
(CHEMBL2018055)
Show SMILES Nc1nc(Cl)c(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1
Show InChI InChI=1S/C17H18ClN5O3S/c18-14-11(16-21-8-3-1-2-4-10(8)27-16)15(23-17(19)22-14)20-9-5-7(6-24)12(25)13(9)26/h1-4,7,9,12-13,24-26H,5-6H2,(H3,19,20,22,23)/t7-,9-,12-,13+/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant full-length IRAK4 expressed in Sf9 insect cells assessed as reduction in substrate phosphorylat...

Bioorg Med Chem Lett 25: 1836-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.043
BindingDB Entry DOI: 10.7270/Q20P11QQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50068476
PNG
(CHEMBL3403449 | US9598440, 15)
Show SMILES OC[C@H]1C[C@@H](Nc2nc(NCC3CC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C21H25N5O3S/c27-10-12-7-15(18(29)17(12)28)24-19-13(9-23-21(26-19)22-8-11-5-6-11)20-25-14-3-1-2-4-16(14)30-20/h1-4,9,11-12,15,17-18,27-29H,5-8,10H2,(H2,22,23,24,26)/t12-,15-,17-,18+/m1/s1
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US Patent
n/an/a 333n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...

US Patent US9598440 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T6V
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50068474
PNG
(CHEMBL3403448 | US9598440, 16)
Show SMILES COCCCNc1ncc(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1
Show InChI InChI=1S/C21H27N5O4S/c1-30-8-4-7-22-21-23-10-13(20-25-14-5-2-3-6-16(14)31-20)19(26-21)24-15-9-12(11-27)17(28)18(15)29/h2-3,5-6,10,12,15,17-18,27-29H,4,7-9,11H2,1H3,(H2,22,23,24,26)/t12-,15-,17-,18+/m1/s1
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n/an/a 228n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...

US Patent US9598440 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T6V
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50068535
PNG
(CHEMBL3403452 | US9598440, 17)
Show SMILES OC[C@H]1C[C@@H](Nc2nc(NC3CCOCC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C22H27N5O4S/c28-11-12-9-16(19(30)18(12)29)25-20-14(21-26-15-3-1-2-4-17(15)32-21)10-23-22(27-20)24-13-5-7-31-8-6-13/h1-4,10,12-13,16,18-19,28-30H,5-9,11H2,(H2,23,24,25,27)/t12-,16-,18-,19+/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...

US Patent US9598440 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T6V
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50068463
PNG
(CHEMBL3403441 | US9598440, 20)
Show SMILES Nc1ncc(-c2nc3cnccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1
Show InChI InChI=1S/C16H18N6O3S/c17-16-19-4-8(15-21-10-5-18-2-1-11(10)26-15)14(22-16)20-9-3-7(6-23)12(24)13(9)25/h1-2,4-5,7,9,12-13,23-25H,3,6H2,(H3,17,19,20,22)/t7-,9-,12-,13+/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...

US Patent US9598440 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T6V
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50068462
PNG
(CHEMBL3403440 | US9598440, 21)
Show SMILES Nc1ncc(-c2nc3ccncc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1
Show InChI InChI=1S/C16H18N6O3S/c17-16-19-4-8(15-21-9-1-2-18-5-11(9)26-15)14(22-16)20-10-3-7(6-23)12(24)13(10)25/h1-2,4-5,7,10,12-13,23-25H,3,6H2,(H3,17,19,20,22)/t7-,10-,12-,13+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...

US Patent US9598440 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T6V
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50068539
PNG
(CHEMBL3403456 | US9598440, 26)
Show SMILES OC[C@H]1C[C@@H](Nc2nc(Nc3cncnc3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C21H21N7O3S/c29-9-11-5-15(18(31)17(11)30)26-19-13(20-27-14-3-1-2-4-16(14)32-20)8-24-21(28-19)25-12-6-22-10-23-7-12/h1-4,6-8,10-11,15,17-18,29-31H,5,9H2,(H2,24,25,26,28)/t11-,15-,17-,18+/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...

US Patent US9598440 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T6V
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50068462
PNG
(CHEMBL3403440 | US9598440, 21)
Show SMILES Nc1ncc(-c2nc3ccncc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1
Show InChI InChI=1S/C16H18N6O3S/c17-16-19-4-8(15-21-9-1-2-18-5-11(9)26-15)14(22-16)20-10-3-7(6-23)12(24)13(10)25/h1-2,4-5,7,10,12-13,23-25H,3,6H2,(H3,17,19,20,22)/t7-,10-,12-,13+/m1/s1
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PubMed
n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human recombinant full-length IRAK4 expressed in Sf9 insect cells assessed as reduction in substrate phosphorylat...

Bioorg Med Chem Lett 25: 1836-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.043
BindingDB Entry DOI: 10.7270/Q20P11QQ
More data for this
Ligand-Target Pair