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Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50038496   
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))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 1n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377180
PNG
(CHEMBL401633)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNC4)n3)n2c1 |w:14.13|
Show InChI InChI=1S/C16H16ClN5/c17-11-4-5-16-19-9-14(22(16)10-11)13-2-1-3-15(21-13)20-12-6-7-18-8-12/h1-5,9-10,12,18H,6-8H2,(H,20,21)
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n/an/a 1n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377165
PNG
(CHEMBL255867)
Show SMILES C1CC(CCN1)Nc1cccc(n1)-c1cnc2ccc(cn12)-c1cc[nH]n1
Show InChI InChI=1S/C20H21N7/c1-2-17(25-19(3-1)24-15-6-9-21-10-7-15)18-12-22-20-5-4-14(13-27(18)20)16-8-11-23-26-16/h1-5,8,11-13,15,21H,6-7,9-10H2,(H,23,26)(H,24,25)
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n/an/a 2n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377175
PNG
(CHEMBL436653)
Show SMILES Clc1ccc2ncn(-c3cccc(NC4CCNCC4)n3)c2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-14-15(10-12)23(11-20-14)17-3-1-2-16(22-17)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377168
PNG
(CHEMBL255873)
Show SMILES N#Cc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C18H18N6/c19-10-13-4-5-18-21-11-16(24(18)12-13)15-2-1-3-17(23-15)22-14-6-8-20-9-7-14/h1-5,11-12,14,20H,6-9H2,(H,22,23)
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n/an/a 4n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377163
PNG
(CHEMBL403358)
Show SMILES NC(=O)c1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C18H20N6O/c19-18(25)12-4-5-17-21-10-15(24(17)11-12)14-2-1-3-16(23-14)22-13-6-8-20-9-7-13/h1-5,10-11,13,20H,6-9H2,(H2,19,25)(H,22,23)
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n/an/a 5n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377181
PNG
(CHEMBL256963 | US11254667, Compound I-15 | US11542...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CNC4)n3)n2c1
Show InChI InChI=1S/C15H14ClN5/c16-10-4-5-15-18-8-13(21(15)9-10)12-2-1-3-14(20-12)19-11-6-17-7-11/h1-5,8-9,11,17H,6-7H2,(H,19,20)
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n/an/a 6n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377169
PNG
(CHEMBL402629)
Show SMILES COc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C18H21N5O/c1-24-14-5-6-18-20-11-16(23(18)12-14)15-3-2-4-17(22-15)21-13-7-9-19-10-8-13/h2-6,11-13,19H,7-10H2,1H3,(H,21,22)
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n/an/a 6n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377186
PNG
(CHEMBL403433)
Show SMILES COc1ccc2ncc(-c3cccc(NC4CNC4)n3)n2c1
Show InChI InChI=1S/C16H17N5O/c1-22-12-5-6-16-18-9-14(21(16)10-12)13-3-2-4-15(20-13)19-11-7-17-8-11/h2-6,9-11,17H,7-8H2,1H3,(H,19,20)
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n/an/a 7n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377166
PNG
(CHEMBL255446)
Show SMILES Cn1cc(cn1)-c1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C21H23N7/c1-27-13-16(11-24-27)15-5-6-21-23-12-19(28(21)14-15)18-3-2-4-20(26-18)25-17-7-9-22-10-8-17/h2-6,11-14,17,22H,7-10H2,1H3,(H,25,26)
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n/an/a 7n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377167
PNG
(CHEMBL402361)
Show SMILES COc1ccc(cn1)-c1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C23H24N6O/c1-30-23-8-6-16(13-26-23)17-5-7-22-25-14-20(29(22)15-17)19-3-2-4-21(28-19)27-18-9-11-24-12-10-18/h2-8,13-15,18,24H,9-12H2,1H3,(H,27,28)
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n/an/a 8n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377179
PNG
(CHEMBL256961)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCCNC4)n3)n2c1 |w:14.13|
Show InChI InChI=1S/C17H18ClN5/c18-12-6-7-17-20-10-15(23(17)11-12)14-4-1-5-16(22-14)21-13-3-2-8-19-9-13/h1,4-7,10-11,13,19H,2-3,8-9H2,(H,21,22)
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n/an/a 9n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377172
PNG
(CHEMBL404473)
Show SMILES Cc1ccc2ncn(-c3cccc(NC4CCNCC4)n3)c2c1
Show InChI InChI=1S/C18H21N5/c1-13-5-6-15-16(11-13)23(12-20-15)18-4-2-3-17(22-18)21-14-7-9-19-10-8-14/h2-6,11-12,14,19H,7-10H2,1H3,(H,21,22)
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n/an/a 10n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377178
PNG
(CHEMBL402174)
Show SMILES COc1ccc2ncn(-c3cccc(NC4CCNCC4)n3)c2c1
Show InChI InChI=1S/C18H21N5O/c1-24-14-5-6-15-16(11-14)23(12-20-15)18-4-2-3-17(22-18)21-13-7-9-19-10-8-13/h2-6,11-13,19H,7-10H2,1H3,(H,21,22)
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n/an/a 15n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377150
PNG
(CHEMBL256504)
Show SMILES C1CNC[C@H](C1)Nc1cccc(n1)-c1cnc2ccccn12
Show InChI InChI=1S/C17H19N5/c1-2-10-22-15(12-19-17(22)8-1)14-6-3-7-16(21-14)20-13-5-4-9-18-11-13/h1-3,6-8,10,12-13,18H,4-5,9,11H2,(H,20,21)/t13-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50240128
PNG
(6-(H-imidazo[1,2-a]pyridin-3-yl)-N-(piperidin-4-yl...)
Show SMILES C1CC(CCN1)Nc1cccc(n1)-c1cnc2ccccn12
Show InChI InChI=1S/C17H19N5/c1-2-11-22-15(12-19-17(22)6-1)14-4-3-5-16(21-14)20-13-7-9-18-10-8-13/h1-6,11-13,18H,7-10H2,(H,20,21)
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n/an/a 35n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377152
PNG
(CHEMBL437208 | US11254667, Compound I-12 | US11542...)
Show SMILES C1NCC1Nc1cccc(n1)-c1cnc2ccccn12
Show InChI InChI=1S/C15H15N5/c1-2-7-20-13(10-17-15(20)6-1)12-4-3-5-14(19-12)18-11-8-16-9-11/h1-7,10-11,16H,8-9H2,(H,18,19)
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n/an/a 39n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377161
PNG
(CHEMBL256733)
Show SMILES CN(C)C(=O)c1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C20H24N6O/c1-25(2)20(27)14-6-7-19-22-12-17(26(19)13-14)16-4-3-5-18(24-16)23-15-8-10-21-11-9-15/h3-7,12-13,15,21H,8-11H2,1-2H3,(H,23,24)
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n/an/a 49n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377164
PNG
(CHEMBL255445)
Show SMILES C1CC(CCN1)Nc1cccc(n1)-c1cnc2ccc(cn12)-c1ccc[nH]1
Show InChI InChI=1S/C21H22N6/c1-3-18(26-20(5-1)25-16-8-11-22-12-9-16)19-13-24-21-7-6-15(14-27(19)21)17-4-2-10-23-17/h1-7,10,13-14,16,22-23H,8-9,11-12H2,(H,25,26)
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n/an/a 63n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50240127
PNG
(6-(1H-benzo[d]imidazol-1-yl)-N-(piperidin-4-yl)pyr...)
Show SMILES C1CC(CCN1)Nc1cccc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C17H19N5/c1-2-5-15-14(4-1)19-12-22(15)17-7-3-6-16(21-17)20-13-8-10-18-11-9-13/h1-7,12-13,18H,8-11H2,(H,20,21)
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n/an/a 70n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377182
PNG
(CHEMBL403210)
Show SMILES N#Cc1ccc2ncc(-c3cccc(N[C@@H]4CCCNC4)n3)n2c1
Show InChI InChI=1S/C18H18N6/c19-9-13-6-7-18-21-11-16(24(18)12-13)15-4-1-5-17(23-15)22-14-3-2-8-20-10-14/h1,4-7,11-12,14,20H,2-3,8,10H2,(H,22,23)/t14-/m1/s1
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n/an/a 95n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377174
PNG
(CHEMBL403442)
Show SMILES Clc1ccc2n(cnc2c1)-c1cccc(NC2CCNCC2)n1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-15-14(10-12)20-11-23(15)17-3-1-2-16(22-17)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 112n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377187
PNG
(CHEMBL402080)
Show SMILES C1N[C@@H]2C[C@H]1N(C2)c1cccc(n1)-c1cnc2ccccn12 |THB:7:5:3:0.1|
Show InChI InChI=1S/C17H17N5/c1-2-7-21-15(10-19-16(21)5-1)14-4-3-6-17(20-14)22-11-12-8-13(22)9-18-12/h1-7,10,12-13,18H,8-9,11H2/t12-,13-/m1/s1
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n/an/a 126n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377173
PNG
(CHEMBL256942)
Show SMILES Clc1cc2ncn(-c3cccc(NC4CCNCC4)n3)c2cc1Cl
Show InChI InChI=1S/C17H17Cl2N5/c18-12-8-14-15(9-13(12)19)24(10-21-14)17-3-1-2-16(23-17)22-11-4-6-20-7-5-11/h1-3,8-11,20H,4-7H2,(H,22,23)
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n/an/a 166n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377176
PNG
(CHEMBL402612)
Show SMILES COc1cc2ncn(-c3cccc(NC4CCNCC4)n3)c2cc1OC
Show InChI InChI=1S/C19H23N5O2/c1-25-16-10-14-15(11-17(16)26-2)24(12-21-14)19-5-3-4-18(23-19)22-13-6-8-20-9-7-13/h3-5,10-13,20H,6-9H2,1-2H3,(H,22,23)
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n/an/a 181n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377177
PNG
(CHEMBL255935)
Show SMILES COc1ccc2n(cnc2c1)-c1cccc(NC2CCNCC2)n1
Show InChI InChI=1S/C18H21N5O/c1-24-14-5-6-16-15(11-14)20-12-23(16)18-4-2-3-17(22-18)21-13-7-9-19-10-8-13/h2-6,11-13,19H,7-10H2,1H3,(H,21,22)
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n/an/a 208n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50240093
PNG
(4-(H-imidazo[1,2-a]pyridin-3-yl)-N-(piperidin-4-yl...)
Show SMILES C1CC(CCN1)Nc1nccc(n1)-c1cnc2ccccn12
Show InChI InChI=1S/C16H18N6/c1-2-10-22-14(11-19-15(22)3-1)13-6-9-18-16(21-13)20-12-4-7-17-8-5-12/h1-3,6,9-12,17H,4-5,7-8H2,(H,18,20,21)
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n/an/a 216n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377154
PNG
(CHEMBL402295)
Show SMILES C1C[C@@H]2CC(C[C@H]1N2)Nc1cccc(n1)-c1cnc2ccccn12 |w:4.9,TEB:8:4:7:0.1|
Show InChI InChI=1S/C19H21N5/c1-2-9-24-17(12-20-19(24)6-1)16-4-3-5-18(23-16)22-15-10-13-7-8-14(11-15)21-13/h1-6,9,12-15,21H,7-8,10-11H2,(H,22,23)/t13-,14+,15?
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n/an/a 225n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377162
PNG
(CHEMBL256735)
Show SMILES O=C(N1CCOCC1)c1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C22H26N6O2/c29-22(27-10-12-30-13-11-27)16-4-5-21-24-14-19(28(21)15-16)18-2-1-3-20(26-18)25-17-6-8-23-9-7-17/h1-5,14-15,17,23H,6-13H2,(H,25,26)
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n/an/a 263n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377188
PNG
(CHEMBL403395)
Show SMILES C(Nc1cccc(n1)-c1cnc2ccccn12)C1CCCN1 |w:17.19|
Show InChI InChI=1S/C17H19N5/c1-2-10-22-15(12-20-17(22)8-1)14-6-3-7-16(21-14)19-11-13-5-4-9-18-13/h1-3,6-8,10,12-13,18H,4-5,9,11H2,(H,19,21)
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n/an/a 313n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377159
PNG
(CHEMBL404471)
Show SMILES N#Cc1ccccc1Nc1cccc(n1)-c1cnc2ccccn12
Show InChI InChI=1S/C19H13N5/c20-12-14-6-1-2-7-15(14)22-18-9-5-8-16(23-18)17-13-21-19-10-3-4-11-24(17)19/h1-11,13H,(H,22,23)
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n/an/a 433n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377183
PNG
(CHEMBL403490)
Show SMILES C1CNCCN(C1)c1cccc(n1)-c1cnc2ccccn12
Show InChI InChI=1S/C17H19N5/c1-2-11-22-15(13-19-16(22)6-1)14-5-3-7-17(20-14)21-10-4-8-18-9-12-21/h1-3,5-7,11,13,18H,4,8-10,12H2
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n/an/a 487n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377157
PNG
(CHEMBL258024)
Show SMILES Cn1cnc(CNc2cccc(n2)-c2cnc3ccccn23)c1
Show InChI InChI=1S/C17H16N6/c1-22-11-13(20-12-22)9-18-16-6-4-5-14(21-16)15-10-19-17-7-2-3-8-23(15)17/h2-8,10-12H,9H2,1H3,(H,18,21)
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n/an/a 497n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377184
PNG
(CHEMBL404142)
Show SMILES NC1CCCN(C1)c1cccc(n1)-c1cnc2ccccn12 |w:1.0|
Show InChI InChI=1S/C17H19N5/c18-13-5-4-9-21(12-13)17-8-3-6-14(20-17)15-11-19-16-7-1-2-10-22(15)16/h1-3,6-8,10-11,13H,4-5,9,12,18H2
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n/an/a 535n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377151
PNG
(CHEMBL402344)
Show SMILES C1CC(CN1)Nc1cccc(n1)-c1cnc2ccccn12 |w:2.5|
Show InChI InChI=1S/C16H17N5/c1-2-9-21-14(11-18-16(21)6-1)13-4-3-5-15(20-13)19-12-7-8-17-10-12/h1-6,9,11-12,17H,7-8,10H2,(H,19,20)
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n/an/a 545n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377189
PNG
(CHEMBL255253)
Show SMILES CN1[C@H]2CC[C@@H]1CC(C2)Nc1cccc(n1)-c1cnc2ccccn12 |w:7.10,TEB:9:7:1:3.4|
Show InChI InChI=1S/C20H23N5/c1-24-15-8-9-16(24)12-14(11-15)22-19-6-4-5-17(23-19)18-13-21-20-7-2-3-10-25(18)20/h2-7,10,13-16H,8-9,11-12H2,1H3,(H,22,23)/t14?,15-,16+
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n/an/a 914n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377171
PNG
(CHEMBL404472)
Show SMILES Cc1ccc2n(cnc2c1)-c1cccc(NC2CCNCC2)n1
Show InChI InChI=1S/C18H21N5/c1-13-5-6-16-15(11-13)20-12-23(16)18-4-2-3-17(22-18)21-14-7-9-19-10-8-14/h2-6,11-12,14,19H,7-10H2,1H3,(H,21,22)
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n/an/a 1.09E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377158
PNG
(CHEMBL258233)
Show SMILES Cn1nccc1Nc1cccc(n1)-c1cnc2ccccn12
Show InChI InChI=1S/C16H14N6/c1-21-16(8-9-18-21)20-14-6-4-5-12(19-14)13-11-17-15-7-2-3-10-22(13)15/h2-11H,1H3,(H,19,20)
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n/an/a 1.13E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377160
PNG
(CHEMBL256734)
Show SMILES N(c1ccccc1)c1cccc(n1)-c1cnc2ccccn12
Show InChI InChI=1S/C18H14N4/c1-2-7-14(8-3-1)20-17-10-6-9-15(21-17)16-13-19-18-11-4-5-12-22(16)18/h1-13H,(H,20,21)
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n/an/a 1.16E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377155
PNG
(CHEMBL256513)
Show SMILES NCCCNc1cccc(n1)-c1cnc2ccccn12
Show InChI InChI=1S/C15H17N5/c16-8-4-9-17-14-6-3-5-12(19-14)13-11-18-15-7-1-2-10-20(13)15/h1-3,5-7,10-11H,4,8-9,16H2,(H,17,19)
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n/an/a 1.30E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377185
PNG
(CHEMBL402079)
Show SMILES NC1CCN(CC1)c1cccc(n1)-c1cnc2ccccn12
Show InChI InChI=1S/C17H19N5/c18-13-7-10-21(11-8-13)17-6-3-4-14(20-17)15-12-19-16-5-1-2-9-22(15)16/h1-6,9,12-13H,7-8,10-11,18H2
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n/an/a 1.88E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377153
PNG
(CHEMBL255439)
Show SMILES C(Nc1cccc(n1)-c1cnc2ccccn12)C1CCNCC1
Show InChI InChI=1S/C18H21N5/c1-2-11-23-16(13-21-18(23)6-1)15-4-3-5-17(22-15)20-12-14-7-9-19-10-8-14/h1-6,11,13-14,19H,7-10,12H2,(H,20,22)
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n/an/a 3.03E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377156
PNG
(CHEMBL258025)
Show SMILES CN(C)CCCNc1cccc(n1)-c1cnc2ccccn12
Show InChI InChI=1S/C17H21N5/c1-21(2)11-6-10-18-16-8-5-7-14(20-16)15-13-19-17-9-3-4-12-22(15)17/h3-5,7-9,12-13H,6,10-11H2,1-2H3,(H,18,20)
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n/an/a 8.10E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50377180
PNG
(CHEMBL401633)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNC4)n3)n2c1 |w:14.13|
Show InChI InChI=1S/C16H16ClN5/c17-11-4-5-16-19-9-14(22(16)10-11)13-2-1-3-15(21-13)20-12-6-7-18-8-12/h1-5,9-10,12,18H,6-8H2,(H,20,21)
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n/an/a 2.30E+4n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK1


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50377168
PNG
(CHEMBL255873)
Show SMILES N#Cc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C18H18N6/c19-10-13-4-5-18-21-11-16(24(18)12-13)15-2-1-3-17(23-15)22-14-6-8-20-9-7-14/h1-5,11-12,14,20H,6-9H2,(H,22,23)
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n/an/a 9.60E+4n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK1


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50377179
PNG
(CHEMBL256961)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCCNC4)n3)n2c1 |w:14.13|
Show InChI InChI=1S/C17H18ClN5/c18-12-6-7-17-20-10-15(23(17)11-12)14-4-1-5-16(22-14)21-13-3-2-8-19-9-13/h1,4-7,10-11,13,19H,2-3,8-9H2,(H,21,22)
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n/an/a 1.75E+5n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK1


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50377181
PNG
(CHEMBL256963 | US11254667, Compound I-15 | US11542...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CNC4)n3)n2c1
Show InChI InChI=1S/C15H14ClN5/c16-10-4-5-15-18-8-13(21(15)9-10)12-2-1-3-14(20-12)19-11-6-17-7-11/h1-5,8-9,11,17H,6-7H2,(H,19,20)
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n/an/a 1.95E+5n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK1


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50377169
PNG
(CHEMBL402629)
Show SMILES COc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C18H21N5O/c1-24-14-5-6-18-20-11-16(23(18)12-14)15-3-2-4-17(22-15)21-13-7-9-19-10-8-13/h2-6,11-13,19H,7-10H2,1H3,(H,21,22)
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n/an/a 2.93E+5n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK1


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair