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Compile Data Set for Download or QSAR

Found 228 hits Enz. Inhib. hit(s) with Target = 'interleukin-1 receptor-associated kinase 1'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM?mit=repeat
Kd
nM
EC50/IC50
nM?mit=repeat
koff
s-1
kon
M-1s-1
pHTemp
°C
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206097
PNG
(US9255110, 10)
Show SMILES COc1cc2nc(NCCO)ccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C19H17N5O3S/c1-27-15-7-13-11(2-3-17(23-13)21-4-5-25)6-14(15)24-19(26)12-9-28-16-8-20-10-22-18(12)16/h2-3,6-10,25H,4-5H2,1H3,(H,21,23)(H,24,26)
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n/an/a 200n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206098
PNG
(US9255110, 11)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCCN)nc12
Show InChI InChI=1S/C19H18N6O2S/c1-27-15-8-13-11(3-2-5-21-13)7-14(15)24-18(26)12-10-28-16-9-23-19(22-6-4-20)25-17(12)16/h2-3,5,7-10H,4,6,20H2,1H3,(H,24,26)(H,22,23,25)
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n/an/a 712n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206099
PNG
(US9255110, 12)
Show SMILES O[C@H]1CC[C@@H](CC1)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C22H20N4O3S/c27-14-3-5-15(6-4-14)29-19-9-17-13(2-1-7-24-17)8-18(19)26-22(28)16-11-30-20-10-23-12-25-21(16)20/h1-2,7-12,14-15,27H,3-6H2,(H,26,28)/t14-,15-
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n/an/a 168n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206101
PNG
(US9255110, 14)
Show SMILES NCC1CCN(CC1)c1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C22H22N6OS/c23-10-14-3-6-28(7-4-14)19-9-17-15(2-1-5-25-17)8-18(19)27-22(29)16-12-30-20-11-24-13-26-21(16)20/h1-2,5,8-9,11-14H,3-4,6-7,10,23H2,(H,27,29)
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n/an/a 850n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206102
PNG
(US9255110, 15)
Show SMILES O[C@@H]1CC[C@H](C1)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C21H18N4O3S/c26-13-3-4-14(7-13)28-18-8-16-12(2-1-5-23-16)6-17(18)25-21(27)15-10-29-19-9-22-11-24-20(15)19/h1-2,5-6,8-11,13-14,26H,3-4,7H2,(H,25,27)/t13-,14-/m1/s1
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n/an/a 246n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206103
PNG
(US9255110, 16)
Show SMILES OCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cc(O)cnc12
Show InChI InChI=1S/C19H20ClN5O3/c20-13-1-2-17(24-5-3-12(11-26)4-6-24)16(7-13)23-19(28)15-9-22-25-10-14(27)8-21-18(15)25/h1-2,7-10,12,26-27H,3-6,11H2,(H,23,28)
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n/an/a 836n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206105
PNG
(US9255110, 18)
Show SMILES OC1CCC(CC1)Oc1ccc(Cl)cc1NC(=O)c1cnn2cc(O)cnc12
Show InChI InChI=1S/C19H19ClN4O4/c20-11-1-6-17(28-14-4-2-12(25)3-5-14)16(7-11)23-19(27)15-9-22-24-10-13(26)8-21-18(15)24/h1,6-10,12,14,25-26H,2-5H2,(H,23,27)
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n/an/a 163n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206106
PNG
(US9255110, 19)
Show SMILES OC1CCC(CC1)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C22H20N4O3S/c27-14-3-5-15(6-4-14)29-19-9-17-13(2-1-7-24-17)8-18(19)26-22(28)16-11-30-20-10-23-12-25-21(16)20/h1-2,7-12,14-15,27H,3-6H2,(H,26,28)
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n/an/a 123n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206107
PNG
(US9255110, 20)
Show SMILES Oc1cnc2c(cnn2n1)C(=O)Nc1cc(Cl)ccc1N1CCCCC1
Show InChI InChI=1S/C17H17ClN6O2/c18-11-4-5-14(23-6-2-1-3-7-23)13(8-11)21-17(26)12-9-20-24-16(12)19-10-15(25)22-24/h4-5,8-10H,1-3,6-7H2,(H,21,26)(H,22,25)
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n/an/a 644n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206108
PNG
(US9255110, 21)
Show SMILES CC(O)CC(C)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C21H20N4O3S/c1-12(26)6-13(2)28-18-8-16-14(4-3-5-23-16)7-17(18)25-21(27)15-10-29-19-9-22-11-24-20(15)19/h3-5,7-13,26H,6H2,1-2H3,(H,25,27)
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n/an/a 760n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206111
PNG
(US9255110, 24)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cnc(nc12)N(C)CCO
Show InChI InChI=1S/C20H19N5O3S/c1-25(6-7-26)20-22-10-17-18(24-20)13(11-29-17)19(27)23-15-8-12-4-3-5-21-14(12)9-16(15)28-2/h3-5,8-11,26H,6-7H2,1-2H3,(H,23,27)
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n/an/a 300n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206112
PNG
(US9255110, 25 | US9255110, 26 | US9255110, 27 | US...)
Show SMILES NCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C19H21ClN6O/c20-14-2-3-17(25-8-4-13(11-21)5-9-25)16(10-14)24-19(27)15-12-23-26-7-1-6-22-18(15)26/h1-3,6-7,10,12-13H,4-5,8-9,11,21H2,(H,24,27)
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n/an/a 920n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206112
PNG
(US9255110, 25 | US9255110, 26 | US9255110, 27 | US...)
Show SMILES NCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C19H21ClN6O/c20-14-2-3-17(25-8-4-13(11-21)5-9-25)16(10-14)24-19(27)15-12-23-26-7-1-6-22-18(15)26/h1-3,6-7,10,12-13H,4-5,8-9,11,21H2,(H,24,27)
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n/an/a 463n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206122
PNG
(US9255110, 35)
Show SMILES CC(C)(CCO)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C21H20N4O3S/c1-21(2,5-7-26)28-17-9-15-13(4-3-6-23-15)8-16(17)25-20(27)14-11-29-18-10-22-12-24-19(14)18/h3-4,6,8-12,26H,5,7H2,1-2H3,(H,25,27)
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n/an/a 364n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206124
PNG
(US9255110, 37)
Show SMILES CN(C)CC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cc(O)cnc12
Show InChI InChI=1S/C21H25ClN6O2/c1-26(2)12-14-5-7-27(8-6-14)19-4-3-15(22)9-18(19)25-21(30)17-11-24-28-13-16(29)10-23-20(17)28/h3-4,9-11,13-14,29H,5-8,12H2,1-2H3,(H,25,30)
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n/an/a 307n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206130
PNG
(US9255110, 43)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NC3CC3)nc12
Show InChI InChI=1S/C20H17N5O2S/c1-27-16-8-14-11(3-2-6-21-14)7-15(16)24-19(26)13-10-28-17-9-22-20(25-18(13)17)23-12-4-5-12/h2-3,6-10,12H,4-5H2,1H3,(H,24,26)(H,22,23,25)
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n/an/a 575n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206131
PNG
(US9255110, 44)
Show SMILES CC(O)C1CCN(C1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C19H20ClN5O2/c1-12(26)13-5-8-24(11-13)17-4-3-14(20)9-16(17)23-19(27)15-10-22-25-7-2-6-21-18(15)25/h2-4,6-7,9-10,12-13,26H,5,8,11H2,1H3,(H,23,27)
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n/an/a 897n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206134
PNG
(US9255110, 47)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCC(O)CO)nc12
Show InChI InChI=1S/C20H19N5O4S/c1-29-16-6-14-11(3-2-4-21-14)5-15(16)24-19(28)13-10-30-17-8-23-20(25-18(13)17)22-7-12(27)9-26/h2-6,8,10,12,26-27H,7,9H2,1H3,(H,24,28)(H,22,23,25)
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n/an/a 608n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206136
PNG
(US9255110, 49)
Show SMILES OCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C19H19ClN4O2S/c20-13-1-2-16(24-5-3-12(9-25)4-6-24)15(7-13)23-19(26)14-10-27-17-8-21-11-22-18(14)17/h1-2,7-8,10-12,25H,3-6,9H2,(H,23,26)
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n/an/a 700n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206138
PNG
(US9255110, 51)
Show SMILES NCCCOc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C19H17N5O2S/c20-4-2-6-26-16-8-14-12(3-1-5-22-14)7-15(16)24-19(25)13-10-27-17-9-21-11-23-18(13)17/h1,3,5,7-11H,2,4,6,20H2,(H,24,25)
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n/an/a 529n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206140
PNG
(US9255110, 53)
Show SMILES COc1ccc(Cl)cc1NC(=O)c1csc2cnc(NCCN)nc12
Show InChI InChI=1S/C16H16ClN5O2S/c1-24-12-3-2-9(17)6-11(12)21-15(23)10-8-25-13-7-20-16(19-5-4-18)22-14(10)13/h2-3,6-8H,4-5,18H2,1H3,(H,21,23)(H,19,20,22)
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n/an/a 813n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206142
PNG
(US9255110, 55)
Show SMILES OC1CCC(CC1)Oc1cc2ccccc2cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C23H22N4O3/c28-17-6-8-18(9-7-17)30-21-13-16-5-2-1-4-15(16)12-20(21)26-23(29)19-14-25-27-11-3-10-24-22(19)27/h1-5,10-14,17-18,28H,6-9H2,(H,26,29)
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n/an/a 817n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206149
PNG
(US9255110, 62)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1ccc(Cl)cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C19H18ClN3O3S/c20-11-1-6-16(26-13-4-2-12(24)3-5-13)15(7-11)23-19(25)14-9-27-17-8-21-10-22-18(14)17/h1,6-10,12-13,24H,2-5H2,(H,23,25)/t12-,13+
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n/an/a 126n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206151
PNG
(US9255110, 64)
Show SMILES NCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C19H20ClN5OS/c20-13-1-2-16(25-5-3-12(8-21)4-6-25)15(7-13)24-19(26)14-10-27-17-9-22-11-23-18(14)17/h1-2,7,9-12H,3-6,8,21H2,(H,24,26)
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n/an/a 800n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206168
PNG
(US9255110, 81)
Show SMILES O[C@H]1CC[C@@H](CC1)Oc1ccc(Cl)cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C19H18ClN3O3S/c20-11-1-6-16(26-13-4-2-12(24)3-5-13)15(7-11)23-19(25)14-9-27-17-8-21-10-22-18(14)17/h1,6-10,12-13,24H,2-5H2,(H,23,25)/t12-,13-
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n/an/a 600n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM206180
PNG
(US9255110, 93)
Show SMILES Clc1ccc(OC2CCNCC2)c(NC(=O)c2csc3cccnc23)c1
Show InChI InChI=1S/C19H18ClN3O2S/c20-12-3-4-16(25-13-5-8-21-9-6-13)15(10-12)23-19(24)14-11-26-17-2-1-7-22-18(14)17/h1-4,7,10-11,13,21H,5-6,8-9H2,(H,23,24)
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n/an/a 930n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))
BDBM225230
PNG
(EED226)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research



Assay Description
All HMT reactions were performed as described previously [Nasveschuk et al., ACS Med. Chem. Lett., 5:378-383].


Nat Chem Biol 13: 381-388 (2017)


Article DOI: 10.1038/nchembio.2304
BindingDB Entry DOI: 10.7270/Q2S75F64
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50308060
PNG
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)
Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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n/an/an/a 6.10n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to IRAK1


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50326053
PNG
(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to IRAK1


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/an/a 40n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for IRAK1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50026612
PNG
(BIBF-1120 | NINTEDANIB | Nintedanib | Vargatef)
Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-
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n/an/an/a 120n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for IRAK1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50308060
PNG
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)
Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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n/an/an/a 6.10n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for IRAK1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50326053
PNG
(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for IRAK1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50040727
PNG
(CHEMBL3353220 | US9255110, 7)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cnc(nc12)N(C)CCN
Show InChI InChI=1S/C20H20N6O2S/c1-26(7-5-21)20-23-10-17-18(25-20)13(11-29-17)19(27)24-15-8-12-4-3-6-22-14(12)9-16(15)28-2/h3-4,6,8-11H,5,7,21H2,1-2H3,(H,24,27)
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n/an/a 983n/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK1 (unknown origin)


J Med Chem 58: 96-110 (2015)


Article DOI: 10.1021/jm5016044
BindingDB Entry DOI: 10.7270/Q2P84DHS
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50040728
PNG
(CHEMBL3353219 | US9255110, 1)
Show SMILES NCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cc(O)cnc12
Show InChI InChI=1S/C19H21ClN6O2/c20-13-1-2-17(25-5-3-12(8-21)4-6-25)16(7-13)24-19(28)15-10-23-26-11-14(27)9-22-18(15)26/h1-2,7,9-12,27H,3-6,8,21H2,(H,24,28)
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n/an/a 55n/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK1 (unknown origin)


J Med Chem 58: 96-110 (2015)


Article DOI: 10.1021/jm5016044
BindingDB Entry DOI: 10.7270/Q2P84DHS
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50040732
PNG
(CHEMBL3353216 | US10064861, Compound 14)
Show SMILES O=C1Nc2nc3ccccc3n2CCn2cc(cn2)-c2ccc(=O)n(Cc3cccc1c3)n2
Show InChI InChI=1S/C24H19N7O2/c32-22-9-8-19-18-13-25-29(15-18)10-11-30-21-7-2-1-6-20(21)26-24(30)27-23(33)17-5-3-4-16(12-17)14-31(22)28-19/h1-9,12-13,15H,10-11,14H2,(H,26,27,33)
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n/an/a<100n/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK1 (unknown origin) by radiochemical assay


J Med Chem 58: 96-110 (2015)


Article DOI: 10.1021/jm5016044
BindingDB Entry DOI: 10.7270/Q2P84DHS
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50040733
PNG
(CHEMBL3353215 | US10064861, Compound 20)
Show SMILES Oc1ccc-2cc1Cn1c(NC(=O)c3cccc(Cn4nc-2ccc4=O)c3)nc2ccccc12
Show InChI InChI=1S/C26H19N5O3/c32-23-10-8-17-13-19(23)15-30-22-7-2-1-6-21(22)27-26(30)28-25(34)18-5-3-4-16(12-18)14-31-24(33)11-9-20(17)29-31/h1-13,32H,14-15H2,(H,27,28,34)
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n/an/a<100n/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK1 (unknown origin) by radiochemical assay


J Med Chem 58: 96-110 (2015)


Article DOI: 10.1021/jm5016044
BindingDB Entry DOI: 10.7270/Q2P84DHS
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50040734
PNG
(CHEMBL3353214)
Show SMILES CN(C)C(=O)Cc1ccc2nc(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)[nH]c2c1
Show InChI InChI=1S/C28H25N7O3/c1-34(2)26(37)15-18-8-9-23-24(14-18)31-28(30-23)32-27(38)20-6-3-5-19(13-20)17-35-25(36)11-10-22(33-35)21-7-4-12-29-16-21/h3-14,16H,15,17H2,1-2H3,(H2,30,31,32,38)
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n/an/a<100n/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK1 (unknown origin) by radiochemical assay


J Med Chem 58: 96-110 (2015)


Article DOI: 10.1021/jm5016044
BindingDB Entry DOI: 10.7270/Q2P84DHS
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50040744
PNG
(CHEMBL3353213)
Show SMILES OCc1ccc2nc(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)[nH]c2c1
Show InChI InChI=1S/C25H20N6O3/c32-15-17-6-7-21-22(12-17)28-25(27-21)29-24(34)18-4-1-3-16(11-18)14-31-23(33)9-8-20(30-31)19-5-2-10-26-13-19/h1-13,32H,14-15H2,(H2,27,28,29,34)
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Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK1 (unknown origin) by radiochemical assay


J Med Chem 58: 96-110 (2015)


Article DOI: 10.1021/jm5016044
BindingDB Entry DOI: 10.7270/Q2P84DHS
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50076185
PNG
(CHEMBL3416026 | US9290481, 1.1)
Show SMILES N[C@H]1CCCC[C@H]1Nc1nnc(C(N)=O)c(Nc2cccc3cc[nH]c23)n1
Show InChI InChI=1S/C18H22N8O/c19-11-5-1-2-6-12(11)23-18-24-17(15(16(20)27)25-26-18)22-13-7-3-4-10-8-9-21-14(10)13/h3-4,7-9,11-12,21H,1-2,5-6,19H2,(H2,20,27)(H2,22,23,24,26)/t11-,12+/m0/s1
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n/an/an/a 67n/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Competitive binding affinity to human IRAK1


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50184695
PNG
(CHEMBL210194 | ethyl 2-(2-(3-nitrobenzamido)-1H-be...)
Show SMILES CCOC(=O)Cn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
Show InChI InChI=1S/C18H16N4O5/c1-2-27-16(23)11-21-15-9-4-3-8-14(15)19-18(21)20-17(24)12-6-5-7-13(10-12)22(25)26/h3-10H,2,11H2,1H3,(H,19,20,24)
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n/an/a 750n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK1


Bioorg Med Chem Lett 16: 2842-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.020
BindingDB Entry DOI: 10.7270/Q2JM297D
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50184706
PNG
(CHEMBL379787 | N-(1-(2-morpholinoethyl)-1H-benzo[d...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C20H21N5O4/c26-19(15-4-3-5-16(14-15)25(27)28)22-20-21-17-6-1-2-7-18(17)24(20)9-8-23-10-12-29-13-11-23/h1-7,14H,8-13H2,(H,21,22,26)
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n/an/a 300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK1


Bioorg Med Chem Lett 16: 2842-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.020
BindingDB Entry DOI: 10.7270/Q2JM297D
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50096279
PNG
(CHEMBL3577124)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+
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n/an/a 390n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive binding affinity to IRAK1 in human A375 cells after 15 mins in presence of ATP analogue


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50102661
PNG
(CHEMBL3343033)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1O
Show InChI InChI=1S/C22H18N4O3/c1-29-20-11-17-18(12-19(20)27)23-13-24-21(17)25-15-7-9-16(10-8-15)26-22(28)14-5-3-2-4-6-14/h2-13,27H,1H3,(H,26,28)(H,23,24,25)
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human IRAK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50102662
PNG
(CHEMBL3343034)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(C)nc2cc1O
Show InChI InChI=1S/C23H20N4O3/c1-14-24-19-13-20(28)21(30-2)12-18(19)22(25-14)26-16-8-10-17(11-9-16)27-23(29)15-6-4-3-5-7-15/h3-13,28H,1-2H3,(H,27,29)(H,24,25,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human IRAK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50102663
PNG
(CHEMBL3343037)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCO
Show InChI InChI=1S/C24H22N4O4/c1-31-21-13-19-20(14-22(21)32-12-11-29)25-15-26-23(19)27-17-7-9-18(10-8-17)28-24(30)16-5-3-2-4-6-16/h2-10,13-15,29H,11-12H2,1H3,(H,28,30)(H,25,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human IRAK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50102664
PNG
(CHEMBL3343038)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(O)=O
Show InChI InChI=1S/C24H20N4O5/c1-32-20-11-18-19(12-21(20)33-13-22(29)30)25-14-26-23(18)27-16-7-9-17(10-8-16)28-24(31)15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,28,31)(H,29,30)(H,25,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human IRAK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50102665
PNG
(CHEMBL3343039)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(N)=O
Show InChI InChI=1S/C24H21N5O4/c1-32-20-11-18-19(12-21(20)33-13-22(25)30)26-14-27-23(18)28-16-7-9-17(10-8-16)29-24(31)15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H2,25,30)(H,29,31)(H,26,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human IRAK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50102666
PNG
(CHEMBL3343040)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(N)nc2cc1O
Show InChI InChI=1S/C22H19N5O3/c1-30-19-11-16-17(12-18(19)28)26-22(23)27-20(16)24-14-7-9-15(10-8-14)25-21(29)13-5-3-2-4-6-13/h2-12,28H,1H3,(H,25,29)(H3,23,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human IRAK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50102667
PNG
(CHEMBL3343042)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(NCCc3ccccn3)nc2cc1O
Show InChI InChI=1S/C29H26N6O3/c1-38-26-17-23-24(18-25(26)36)34-29(31-16-14-20-9-5-6-15-30-20)35-27(23)32-21-10-12-22(13-11-21)33-28(37)19-7-3-2-4-8-19/h2-13,15,17-18,36H,14,16H2,1H3,(H,33,37)(H2,31,32,34,35)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human IRAK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
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