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PubMed code 18474425

Compile data set for download or QSAR
Found 27 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))		BDBM50373415
PNG
(CHEMBL256713)
Show SMILES COc1cc(ccc1NC(=O)c1cccc(n1)-c1cc[nH]n1)N1CCOCC1
Show InChI InChI=1S/C20H21N5O3/c1-27-19-13-14(25-9-11-28-12-10-25)5-6-17(19)23-20(26)18-4-2-3-15(22-18)16-7-8-21-24-16/h2-8,13H,9-12H2,1H3,(H,21,24)(H,23,26)
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n/an/a 20n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4

Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50373425
PNG
(CHEMBL403662)
Show SMILES COc1cc(ccc1NC(=O)c1csc(n1)-c1cccnc1)N1CCOCC1
Show InChI InChI=1S/C20H20N4O3S/c1-26-18-11-15(24-7-9-27-10-8-24)4-5-16(18)22-19(25)17-13-28-20(23-17)14-3-2-6-21-12-14/h2-6,11-13H,7-10H2,1H3,(H,22,25)
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n/an/a 160n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4

Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50373424
PNG
(CHEMBL257127)
Show SMILES COc1cc(ccc1NC(=O)c1csc(n1)-c1cccnc1)N1CCN(C)CC1
Show InChI InChI=1S/C21H23N5O2S/c1-25-8-10-26(11-9-25)16-5-6-17(19(12-16)28-2)23-20(27)18-14-29-21(24-18)15-4-3-7-22-13-15/h3-7,12-14H,8-11H2,1-2H3,(H,23,27)
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n/an/a 350n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4

Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50373416
PNG
(CHEMBL256717)
Show SMILES COc1cc(ccc1NC(=O)c1cccc(n1)-c1cnn(C)c1)N1CCN(C)CC1
Show InChI InChI=1S/C22H26N6O2/c1-26-9-11-28(12-10-26)17-7-8-19(21(13-17)30-3)25-22(29)20-6-4-5-18(24-20)16-14-23-27(2)15-16/h4-8,13-15H,9-12H2,1-3H3,(H,25,29)
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n/an/a 420n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4

Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50373418
PNG
(CHEMBL256719)
Show SMILES Clc1ccccc1NC(=O)c1cccc(n1)-c1cn[nH]c1
Show InChI InChI=1S/C15H11ClN4O/c16-11-4-1-2-5-13(11)20-15(21)14-7-3-6-12(19-14)10-8-17-18-9-10/h1-9H,(H,17,18)(H,20,21)
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n/an/a 660n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4

Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50373430
PNG
(CHEMBL254546)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2csc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C20H21N5OS/c1-24-9-11-25(12-10-24)17-6-4-16(5-7-17)22-19(26)18-14-27-20(23-18)15-3-2-8-21-13-15/h2-8,13-14H,9-12H2,1H3,(H,22,26)
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n/an/a 700n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4

Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50373417
PNG
(CHEMBL256917)
Show SMILES Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C16H13ClN4O/c1-21-10-11(9-18-21)13-7-4-8-15(19-13)16(22)20-14-6-3-2-5-12(14)17/h2-10H,1H3,(H,20,22)
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n/an/a 710n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4

Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50373436
PNG
(CHEMBL259797)
Show SMILES COc1ccccc1NC(=O)c1csc(n1)-c1cccnc1
Show InChI InChI=1S/C16H13N3O2S/c1-21-14-7-3-2-6-12(14)18-15(20)13-10-22-16(19-13)11-5-4-8-17-9-11/h2-10H,1H3,(H,18,20)
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n/an/a 800n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4

Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50373435
PNG
(CHEMBL408383)
Show SMILES FC(F)Oc1ccccc1NC(=O)c1csc(n1)-c1cccnc1
Show InChI InChI=1S/C16H11F2N3O2S/c17-16(18)23-13-6-2-1-5-11(13)20-14(22)12-9-24-15(21-12)10-4-3-7-19-8-10/h1-9,16H,(H,20,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4

Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50373426
PNG
(CHEMBL404514)
Show SMILES COc1ccc(NC(=O)c2csc(n2)-c2cccnc2)c(OC)c1
Show InChI InChI=1S/C17H15N3O3S/c1-22-12-5-6-13(15(8-12)23-2)19-16(21)14-10-24-17(20-14)11-4-3-7-18-9-11/h3-10H,1-2H3,(H,19,21)
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n/an/a 1.20E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4

Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50373419
PNG
(CHEMBL257366)
Show SMILES Clc1ccccc1NC(=O)c1cccc(n1)-c1cc[nH]n1
Show InChI InChI=1S/C15H11ClN4O/c16-10-4-1-2-5-11(10)19-15(21)14-7-3-6-12(18-14)13-8-9-17-20-13/h1-9H,(H,17,20)(H,19,21)
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n/an/a 1.60E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4

Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50373431
PNG
(CHEMBL407821)
Show SMILES O=C(Nc1ccc(cc1)N1CCCCC1)c1csc(n1)-c1cccnc1
Show InChI InChI=1S/C20H20N4OS/c25-19(18-14-26-20(23-18)15-5-4-10-21-13-15)22-16-6-8-17(9-7-16)24-11-2-1-3-12-24/h4-10,13-14H,1-3,11-12H2,(H,22,25)
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n/an/a 2.40E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4

Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50373429
PNG
(CHEMBL414028)
Show SMILES O=C(Nc1ccc(cc1)N1CCOCC1)c1csc(n1)-c1cccnc1
Show InChI InChI=1S/C19H18N4O2S/c24-18(17-13-26-19(22-17)14-2-1-7-20-12-14)21-15-3-5-16(6-4-15)23-8-10-25-11-9-23/h1-7,12-13H,8-11H2,(H,21,24)
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n/an/a 2.80E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4

Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50373414
PNG
(CHEMBL258853)
Show SMILES Clc1ccccc1NC(=O)c1csc(n1)-c1cccnc1
Show InChI InChI=1S/C15H10ClN3OS/c16-11-5-1-2-6-12(11)18-14(20)13-9-21-15(19-13)10-4-3-7-17-8-10/h1-9H,(H,18,20)
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n/an/a 2.80E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4

Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50373423
PNG
(CHEMBL257125)
Show SMILES Clc1ccccc1NC(=O)c1cccc(n1)-c1cccnc1
Show InChI InChI=1S/C17H12ClN3O/c18-13-6-1-2-7-15(13)21-17(22)16-9-3-8-14(20-16)12-5-4-10-19-11-12/h1-11H,(H,21,22)
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n/an/a 3.40E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4

Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50373432
PNG
(CHEMBL265923)
Show SMILES COc1ccc(NC(=O)c2csc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C16H13N3O2S/c1-21-13-6-4-12(5-7-13)18-15(20)14-10-22-16(19-14)11-3-2-8-17-9-11/h2-10H,1H3,(H,18,20)
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n/an/a 3.70E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4

Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50373434
PNG
(CHEMBL259375)
Show SMILES Cc1cccc(NC(=O)c2csc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C16H13N3OS/c1-11-4-2-6-13(8-11)18-15(20)14-10-21-16(19-14)12-5-3-7-17-9-12/h2-10H,1H3,(H,18,20)
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n/an/a 4.80E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4

Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50373440
PNG
(CHEMBL255235)
Show SMILES [O-][n+]1cccc(c1)-c1nc(cs1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C15H10ClN3O2S/c16-11-5-1-2-6-12(11)17-14(20)13-9-22-15(18-13)10-4-3-7-19(21)8-10/h1-9H,(H,17,20)
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n/an/a 6.90E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4

Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50373439
PNG
(CHEMBL260339)
Show SMILES O=C(Nc1ccccc1)c1csc(n1)-c1cccnc1
Show InChI InChI=1S/C15H11N3OS/c19-14(17-12-6-2-1-3-7-12)13-10-20-15(18-13)11-5-4-8-16-9-11/h1-10H,(H,17,19)
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n/an/a 7.20E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4

Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50373438
PNG
(CHEMBL259213)
Show SMILES Cc1ccccc1NC(=O)c1csc(n1)-c1cccnc1
Show InChI InChI=1S/C16H13N3OS/c1-11-5-2-3-7-13(11)18-15(20)14-10-21-16(19-14)12-6-4-8-17-9-12/h2-10H,1H3,(H,18,20)
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n/an/a 7.30E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4

Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50373433
PNG
(CHEMBL408077)
Show SMILES COc1cccc(NC(=O)c2csc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C16H13N3O2S/c1-21-13-6-2-5-12(8-13)18-15(20)14-10-22-16(19-14)11-4-3-7-17-9-11/h2-10H,1H3,(H,18,20)
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n/an/a 8.90E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4

Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50373428
PNG
(CHEMBL255503)
Show SMILES Clc1cccc(Cl)c1NC(=O)c1csc(n1)-c1cccnc1
Show InChI InChI=1S/C15H9Cl2N3OS/c16-10-4-1-5-11(17)13(10)20-14(21)12-8-22-15(19-12)9-3-2-6-18-7-9/h1-8H,(H,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4

Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50373437
PNG
(CHEMBL260007)
Show SMILES CC(C)c1ccccc1NC(=O)c1csc(n1)-c1cccnc1
Show InChI InChI=1S/C18H17N3OS/c1-12(2)14-7-3-4-8-15(14)20-17(22)16-11-23-18(21-16)13-6-5-9-19-10-13/h3-12H,1-2H3,(H,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4

Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50373421
PNG
(CHEMBL402104)
Show SMILES Clc1ccccc1NC(=O)c1cccc(n1)-c1cncnc1
Show InChI InChI=1S/C16H11ClN4O/c17-12-4-1-2-5-14(12)21-16(22)15-7-3-6-13(20-15)11-8-18-10-19-9-11/h1-10H,(H,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4

Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50373420
PNG
(CHEMBL256345)
Show SMILES Nc1ccc(cn1)-c1cccc(n1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C17H13ClN4O/c18-12-4-1-2-5-14(12)22-17(23)15-7-3-6-13(21-15)11-8-9-16(19)20-10-11/h1-10H,(H2,19,20)(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4

Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50373422
PNG
(CHEMBL428598)
Show SMILES Clc1ccccc1NC(=O)c1cccc(n1)-c1cncs1
Show InChI InChI=1S/C15H10ClN3OS/c16-10-4-1-2-5-11(10)19-15(20)13-7-3-6-12(18-13)14-8-17-9-21-14/h1-9H,(H,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4

Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM50373427
PNG
(CHEMBL254545)
Show SMILES Cc1cccc(C)c1NC(=O)c1csc(n1)-c1cccnc1
Show InChI InChI=1S/C17H15N3OS/c1-11-5-3-6-12(2)15(11)20-16(21)14-10-22-17(19-14)13-7-4-8-18-9-13/h3-10H,1-2H3,(H,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4

Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%