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Compile Data Set for Download or QSAR

Found 342 hits with Last Name = 'talamas' and Initial = 'fx'   
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))
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 1n/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 4


(Homo sapiens (Human))
BDBM206090
PNG
(US9255110, 2)
Show SMILES NCC1CCN(CC1)c1cc2ncccc2cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C22H23N7O/c23-13-15-4-9-28(10-5-15)20-12-18-16(3-1-6-24-18)11-19(20)27-22(30)17-14-26-29-8-2-7-25-21(17)29/h1-3,6-8,11-12,14-15H,4-5,9-10,13,23H2,(H,27,30)
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n/an/a 2n/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
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM206091
PNG
(US9255110, 3)
Show SMILES COc1cc2nc(NCCO)ccc2cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C19H18N6O3/c1-28-16-10-14-12(3-4-17(23-14)20-6-8-26)9-15(16)24-19(27)13-11-22-25-7-2-5-21-18(13)25/h2-5,7,9-11,26H,6,8H2,1H3,(H,20,23)(H,24,27)
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n/an/a 3n/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 4


(Homo sapiens (Human))
BDBM206092
PNG
(US9255110, 4)
Show SMILES NCC1CCN(CC1)c1cc(ccc1NC(=O)c1cnn2cccnc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H27N7O2/c27-16-18-9-13-32(14-10-18)23-15-19(25(34)30-20-5-2-1-3-6-20)7-8-22(23)31-26(35)21-17-29-33-12-4-11-28-24(21)33/h1-8,11-12,15,17-18H,9-10,13-14,16,27H2,(H,30,34)(H,31,35)
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n/an/a 4n/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 4


(Homo sapiens (Human))
BDBM206093
PNG
(US9255110, 5)
Show SMILES CC(O)C1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C20H22ClN5O2/c1-13(27)14-5-9-25(10-6-14)18-4-3-15(21)11-17(18)24-20(28)16-12-23-26-8-2-7-22-19(16)26/h2-4,7-8,11-14,27H,5-6,9-10H2,1H3,(H,24,28)
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n/an/a 5n/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 4


(Homo sapiens (Human))
BDBM206094
PNG
(US9255110, 6)
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 7n/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 4


(Homo sapiens (Human))
BDBM206095
PNG
(US9255110, 8)
Show SMILES O=C(Nc1cc2cccnc2cc1N1CCCCC1)c1cnn2ccccc12
Show InChI InChI=1S/C22H21N5O/c28-22(17-15-24-27-12-5-2-8-20(17)27)25-19-13-16-7-6-9-23-18(16)14-21(19)26-10-3-1-4-11-26/h2,5-9,12-15H,1,3-4,10-11H2,(H,25,28)
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n/an/a 8n/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 4


(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 8n/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
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054042
PNG
((E)-6-(4-Hydroxy-7-methyl-3-oxo-6-vinyl-1,3-dihydr...)
Show SMILES C\C(CCC(O)=O)=C/Cc1c(O)c2C(=O)OCc2c(C)c1C=C
Show InChI InChI=1S/C18H20O5/c1-4-12-11(3)14-9-23-18(22)16(14)17(21)13(12)7-5-10(2)6-8-15(19)20/h4-5,21H,1,6-9H2,2-3H3,(H,19,20)/b10-5+
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n/an/a 8.51n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM206096
PNG
(US9255110, 9)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1cnn2cc(O)cnc12
Show InChI InChI=1S/C17H13N5O3/c1-25-15-6-13-10(3-2-4-18-13)5-14(15)21-17(24)12-8-20-22-9-11(23)7-19-16(12)22/h2-9,23H,1H3,(H,21,24)
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n/an/a 9n/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 4


(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 10n/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 4


(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 10n/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 4


(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 11n/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 4


(Homo sapiens (Human))
BDBM206100
PNG
(US9255110, 13)
Show SMILES O=C(Nc1cc2cccnc2cc1N1CCCCC1)c1csc2cncnc12
Show InChI InChI=1S/C21H19N5OS/c27-21(15-12-28-19-11-22-13-24-20(15)19)25-17-9-14-5-4-6-23-16(14)10-18(17)26-7-2-1-3-8-26/h4-6,9-13H,1-3,7-8H2,(H,25,27)
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n/an/a 12n/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 4


(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 12n/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
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054021
PNG
((E)-6-(6-Ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dihydr...)
Show SMILES CCc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C18H22O5/c1-4-12-11(3)14-9-23-18(22)16(14)17(21)13(12)7-5-10(2)6-8-15(19)20/h5,21H,4,6-9H2,1-3H3,(H,19,20)/b10-5+
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n/an/a 12.6n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(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 15n/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
Tyrosine-protein kinase SYK


(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 17n/an/an/an/a7.225



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
SYK activity is measured by phosphorylation of a peptide substrate (Biotin-EPEGDYEEVLE) with [gamma-33P] ATP. The enzyme reaction was conducted at 20...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(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 18n/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 4


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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n/an/a 18n/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
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054019
PNG
((E)-6-(4-Hydroxy-6,7-dimethyl-3-oxo-1,3-dihydro-is...)
Show SMILES C\C(CCC(O)=O)=C/Cc1c(C)c(C)c2COC(=O)c2c1O
Show InChI InChI=1S/C17H20O5/c1-9(5-7-14(18)19)4-6-12-10(2)11(3)13-8-22-17(21)15(13)16(12)20/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
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n/an/a 18.6n/an/an/an/a8.0n/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase. at pH 8.0


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(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 23n/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 4


(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 24n/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 4


(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 24n/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 4


(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 24n/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
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM19264
PNG
((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
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n/an/a 24.8n/an/an/an/a8.0n/a



Syntex Research

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase at pH 8.0


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM19264
PNG
((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
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n/an/a 25n/an/an/an/a8.0n/a



Syntex Research

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase at pH 8.0


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM206109
PNG
(US9255110, 22)
Show SMILES OCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2nc(O)cnc12
Show InChI InChI=1S/C18H19ClN6O3/c19-12-1-2-15(24-5-3-11(10-26)4-6-24)14(7-12)22-18(28)13-8-21-25-17(13)20-9-16(27)23-25/h1-2,7-9,11,26H,3-6,10H2,(H,22,28)(H,23,27)
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n/an/a 28n/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 4


(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 29n/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 4


(Homo sapiens (Human))
BDBM206110
PNG
(US9255110, 23)
Show SMILES OC1CCC(CC1)Oc1cc2ncccc2cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C22H21N5O3/c28-15-4-6-16(7-5-15)30-20-12-18-14(3-1-8-23-18)11-19(20)26-22(29)17-13-25-27-10-2-9-24-21(17)27/h1-3,8-13,15-16,28H,4-7H2,(H,26,29)
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n/an/a 29n/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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13531
PNG
(4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridy...)
Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
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n/an/a 30n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...


J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(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 31n/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 4


(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 31n/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 4


(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 31n/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 4


(Homo sapiens (Human))
BDBM206116
PNG
(US9255110, 29)
Show SMILES COc1cnc2c(cnn2c1)C(=O)Nc1cc(Cl)ccc1N1CCC(CO)CC1
Show InChI InChI=1S/C20H22ClN5O3/c1-29-15-9-22-19-16(10-23-26(19)11-15)20(28)24-17-8-14(21)2-3-18(17)25-6-4-13(12-27)5-7-25/h2-3,8-11,13,27H,4-7,12H2,1H3,(H,24,28)
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n/an/a 33n/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 4


(Homo sapiens (Human))
BDBM206115
PNG
(US9255110, 28)
Show SMILES CC(O)CCOc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C20H18N4O3S/c1-12(25)4-6-27-17-8-15-13(3-2-5-22-15)7-16(17)24-20(26)14-10-28-18-9-21-11-23-19(14)18/h2-3,5,7-12,25H,4,6H2,1H3,(H,24,26)
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n/an/a 33n/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
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50053997
PNG
((E)-6-(3-Chloro-2-hydroxy-6-methoxy-4,5-dimethyl-p...)
Show SMILES COc1c(C)c(C)c(Cl)c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C16H21ClO4/c1-9(6-8-13(18)19)5-7-12-15(20)14(17)10(2)11(3)16(12)21-4/h5,20H,6-8H2,1-4H3,(H,18,19)/b9-5+
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n/an/a 33.5n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM206117
PNG
(US9255110, 30)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cc(CO)cnc12
Show InChI InChI=1S/C19H15N3O3S/c1-25-16-7-14-12(3-2-4-20-14)6-15(16)22-19(24)13-10-26-17-5-11(9-23)8-21-18(13)17/h2-8,10,23H,9H2,1H3,(H,22,24)
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n/an/a 35n/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
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054004
PNG
((E)-6-(3-Bromo-2-hydroxy-6-methoxy-4,5-dimethyl-ph...)
Show SMILES COc1c(C)c(C)c(Br)c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C16H21BrO4/c1-9(6-8-13(18)19)5-7-12-15(20)14(17)10(2)11(3)16(12)21-4/h5,20H,6-8H2,1-4H3,(H,18,19)/b9-5+
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n/an/a 36.7n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(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 37n/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 4


(Homo sapiens (Human))
BDBM206119
PNG
(US9255110, 32)
Show SMILES O=C(Nc1cc2cccnc2cc1OC1CCNCC1)c1cnn2cccnc12
Show InChI InChI=1S/C21H20N6O2/c28-21(16-13-25-27-10-2-7-24-20(16)27)26-18-11-14-3-1-6-23-17(14)12-19(18)29-15-4-8-22-9-5-15/h1-3,6-7,10-13,15,22H,4-5,8-9H2,(H,26,28)
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n/an/a 40n/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 4


(Homo sapiens (Human))
BDBM206120
PNG
(US9255110, 33)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H13N5O2/c1-24-15-9-13-11(4-2-5-18-13)8-14(15)21-17(23)12-10-20-22-7-3-6-19-16(12)22/h2-10H,1H3,(H,21,23)
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n/an/a 43n/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 4


(Homo sapiens (Human))
BDBM206121
PNG
(US9255110, 34)
Show SMILES OCC1CCN(CC1)c1cc2CC(=O)Nc2cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C21H22N6O3/c28-12-13-2-6-26(7-3-13)18-8-14-9-19(29)24-16(14)10-17(18)25-21(30)15-11-23-27-5-1-4-22-20(15)27/h1,4-5,8,10-11,13,28H,2-3,6-7,9,12H2,(H,24,29)(H,25,30)
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n/an/a 49n/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 4


(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 49n/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
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054002
PNG
((E)-6-(6-Cyclopropyl-4-hydroxy-7-methyl-3-oxo-1,3-...)
Show SMILES C\C(CCC(O)=O)=C/Cc1c(O)c2C(=O)OCc2c(C)c1C1CC1
Show InChI InChI=1S/C19H22O5/c1-10(4-8-15(20)21)3-7-13-16(12-5-6-12)11(2)14-9-24-19(23)17(14)18(13)22/h3,12,22H,4-9H2,1-2H3,(H,20,21)/b10-3+
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Article
PubMed
n/an/a 50.7n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM206123
PNG
(US9255110, 36)
Show SMILES Cc1cc2cc(c(NC(=O)c3cnn4cccnc34)cc2[nH]1)-c1ccc(CO)cc1
Show InChI InChI=1S/C23H19N5O2/c1-14-9-17-10-18(16-5-3-15(13-29)4-6-16)21(11-20(17)26-14)27-23(30)19-12-25-28-8-2-7-24-22(19)28/h2-12,26,29H,13H2,1H3,(H,27,30)
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n/an/a 52n/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 4


(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 53n/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 4


(Homo sapiens (Human))
BDBM206125
PNG
(US9255110, 38)
Show SMILES NC(O)C1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C19H21ClN6O2/c20-13-2-3-16(25-8-4-12(5-9-25)17(21)27)15(10-13)24-19(28)14-11-23-26-7-1-6-22-18(14)26/h1-3,6-7,10-12,17,27H,4-5,8-9,21H2,(H,24,28)
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n/an/a 53n/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))
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



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 4


(Homo sapiens (Human))
BDBM206126
PNG
(US9255110, 39)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cnc(N[C@H](C)CO)nc12
Show InChI InChI=1S/C20H19N5O3S/c1-11(9-26)23-20-22-8-17-18(25-20)13(10-29-17)19(27)24-15-6-12-4-3-5-21-14(12)7-16(15)28-2/h3-8,10-11,26H,9H2,1-2H3,(H,24,27)(H,22,23,25)/t11-/m1/s1
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n/an/a 63n/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
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