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Patent code US10435396

Compile Data Set for Download or QSAR
Found 47 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414423
PNG
(N-[6-Methoxy-2-(1-methylpiperidin-4-yl)-2H-indazol...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(C)CC1
Show InChI InChI=1S/C21H22F3N5O2/c1-28-8-6-14(7-9-28)29-12-13-10-17(18(31-2)11-16(13)27-29)26-20(30)15-4-3-5-19(25-15)21(22,23)24/h3-5,10-12,14H,6-9H2,1-2H3,(H,26,30)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414476
PNG
(N-{2-[1-(3-Hydroxy-3-methylbutyl)piperidin-4-yl]-6...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CCC(C)(C)O)CC1
Show InChI InChI=1S/C25H30F3N5O3/c1-24(2,35)9-12-32-10-7-17(8-11-32)33-15-16-13-20(21(36-3)14-19(16)31-33)30-23(34)18-5-4-6-22(29-18)25(26,27)28/h4-6,13-15,17,35H,7-12H2,1-3H3,(H,30,34)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414479
PNG
(Methyl 2-(1-methylpiperidin-4-yl)-5-({[6-(trifluor...)
Show SMILES COC(=O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(C)CC1
Show InChI InChI=1S/C22H22F3N5O3/c1-29-8-6-14(7-9-29)30-12-13-10-18(15(21(32)33-2)11-17(13)28-30)27-20(31)16-4-3-5-19(26-16)22(23,24)25/h3-5,10-12,14H,6-9H2,1-2H3,(H,27,31)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414421
PNG
(N-[6-Methoxy-2-(piperidin-4-yl)-2H-indazol-5-yl]-6...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C20H20F3N5O2/c1-30-17-10-15-12(11-28(27-15)13-5-7-24-8-6-13)9-16(17)26-19(29)14-3-2-4-18(25-14)20(21,22)23/h2-4,9-11,13,24H,5-8H2,1H3,(H,26,29)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414444
PNG
(6-(Difluoromethyl)-N-[6-methoxy-2-(tetrahydro-2H-p...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)F)C1CCOCC1
Show InChI InChI=1S/C20H20F2N4O3/c1-28-18-10-16-12(11-26(25-16)13-5-7-29-8-6-13)9-17(18)24-20(27)15-4-2-3-14(23-15)19(21)22/h2-4,9-11,13,19H,5-8H2,1H3,(H,24,27)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414436
PNG
(N-{2-[1-(2-Hydroxyethyl)piperidin-4-yl]-6-methoxy-...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CCO)CC1
Show InChI InChI=1S/C22H24F3N5O3/c1-33-19-12-17-14(13-30(28-17)15-5-7-29(8-6-15)9-10-31)11-18(19)27-21(32)16-3-2-4-20(26-16)22(23,24)25/h2-4,11-13,15,31H,5-10H2,1H3,(H,27,32)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414477
PNG
(2-(Piperidin-4-yl)-5-({[6-(trifluoromethyl)pyridin...)
Show SMILES NC(=O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C20H19F3N6O2/c21-20(22,23)17-3-1-2-14(26-17)19(31)27-16-8-11-10-29(12-4-6-25-7-5-12)28-15(11)9-13(16)18(24)30/h1-3,8-10,12,25H,4-7H2,(H2,24,30)(H,27,31)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414432
PNG
(N-(2-{1-[2-(Dimethylamino)ethyl]piperidin-4-yl}-6-...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CCN(C)C)CC1
Show InChI InChI=1S/C24H29F3N6O2/c1-31(2)11-12-32-9-7-17(8-10-32)33-15-16-13-20(21(35-3)14-19(16)30-33)29-23(34)18-5-4-6-22(28-18)24(25,26)27/h4-6,13-15,17H,7-12H2,1-3H3,(H,29,34)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414428
PNG
(N-[6-Methoxy-2-(1′-methyl-1,4′-bipiper...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CC1)C1CCN(C)CC1
Show InChI InChI=1S/C26H31F3N6O2/c1-33-10-6-18(7-11-33)34-12-8-19(9-13-34)35-16-17-14-22(23(37-2)15-21(17)32-35)31-25(36)20-4-3-5-24(30-20)26(27,28)29/h3-5,14-16,18-19H,6-13H2,1-2H3,(H,31,36)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414482
PNG
(N-{6-Methoxy-2-[1-(2-methoxyethyl)piperidin-4-yl]-...)
Show SMILES COCCN1CCC(CC1)n1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(OC)cc2n1
Show InChI InChI=1S/C23H26F3N5O3/c1-33-11-10-30-8-6-16(7-9-30)31-14-15-12-19(20(34-2)13-18(15)29-31)28-22(32)17-4-3-5-21(27-17)23(24,25)26/h3-5,12-14,16H,6-11H2,1-2H3,(H,28,32)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414445
PNG
(N-[6-Methoxy-2-(tetrahydro-2H-pyran-4-yl)-2H-indaz...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)N1CCOCC1)C1CCOCC1
Show InChI InChI=1S/C23H27N5O4/c1-30-21-14-19-16(15-28(26-19)17-5-9-31-10-6-17)13-20(21)25-23(29)18-3-2-4-22(24-18)27-7-11-32-12-8-27/h2-4,13-15,17H,5-12H2,1H3,(H,25,29)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414424
PNG
(N-[2-(1-Glycoloylpiperidin-4-yl)-6-methoxy-2H-inda...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CC1)C(=O)CO
Show InChI InChI=1S/C22H22F3N5O4/c1-34-18-10-16-13(11-30(28-16)14-5-7-29(8-6-14)20(32)12-31)9-17(18)27-21(33)15-3-2-4-19(26-15)22(23,24)25/h2-4,9-11,14,31H,5-8,12H2,1H3,(H,27,33)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414435
PNG
(US10435396, Example 12 | rac-N-[6-Methoxy-2-(1-oxi...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCS(=O)CC1
Show InChI InChI=1S/C20H19F3N4O3S/c1-30-17-10-15-12(11-27(26-15)13-5-7-31(29)8-6-13)9-16(17)25-19(28)14-3-2-4-18(24-14)20(21,22)23/h2-4,9-11,13H,5-8H2,1H3,(H,25,28)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414439
PNG
(US10435396, Example 18 | rel-N-{6-Methoxy-2-[(1S,4...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)[C@@H]1C[C@@H]2C[C@H]1CN2C
Show InChI InChI=1S/C22H22F3N5O2/c1-29-10-13-6-14(29)8-18(13)30-11-12-7-17(19(32-2)9-16(12)28-30)27-21(31)15-4-3-5-20(26-15)22(23,24)25/h3-5,7,9,11,13-14,18H,6,8,10H2,1-2H3,(H,27,31)/t13-,14-,18+/m0/s1
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414481
PNG
(2-(1-Methylpiperidin-4-yl)-5-({[6-(trifluoromethyl...)
Show SMILES CN1CCC(CC1)n1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(N)=O
Show InChI InChI=1S/C21H21F3N6O2/c1-29-7-5-13(6-8-29)30-11-12-9-17(14(19(25)31)10-16(12)28-30)27-20(32)15-3-2-4-18(26-15)21(22,23)24/h2-4,9-11,13H,5-8H2,1H3,(H2,25,31)(H,27,32)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414433
PNG
(N-{6-Methoxy-2-[1-(oxetan-3-yl)piperidin-4-yl]-2H-...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CC1)C1COC1
Show InChI InChI=1S/C23H24F3N5O3/c1-33-20-10-18-14(11-31(29-18)15-5-7-30(8-6-15)16-12-34-13-16)9-19(20)28-22(32)17-3-2-4-21(27-17)23(24,25)26/h2-4,9-11,15-16H,5-8,12-13H2,1H3,(H,28,32)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414469
PNG
(N-[6-(2-Hydroxypropan-2-yl)-2-(piperidin-4-yl)-2H-...)
Show SMILES CC(C)(O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C22H24F3N5O2/c1-21(2,32)15-11-17-13(12-30(29-17)14-6-8-26-9-7-14)10-18(15)28-20(31)16-4-3-5-19(27-16)22(23,24)25/h3-5,10-12,14,26,32H,6-9H2,1-2H3,(H,28,31)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414434
PNG
(N-[2-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)-6-m...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCS(=O)(=O)CC1
Show InChI InChI=1S/C20H19F3N4O4S/c1-31-17-10-15-12(11-27(26-15)13-5-7-32(29,30)8-6-13)9-16(17)25-19(28)14-3-2-4-18(24-14)20(21,22)23/h2-4,9-11,13H,5-8H2,1H3,(H,25,28)
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US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414442
PNG
(N-[2-(1-Imino-1-oxidohexahydro-1λ4-thiopyran-...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)[C@H]1CCS(=N)(=O)CC1
Show InChI InChI=1S/C20H20F3N5O3S/c1-31-17-10-15-12(11-28(27-15)13-5-7-32(24,30)8-6-13)9-16(17)26-19(29)14-3-2-4-18(25-14)20(21,22)23/h2-4,9-11,13,24H,5-8H2,1H3,(H,26,29)/t13-,32?
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414457
PNG
(6-(2-Hydroxypropan-2-yl)-N-[6-methoxy-2-(tetrahydr...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(C)(C)O)C1CCOCC1
Show InChI InChI=1S/C22H26N4O4/c1-22(2,28)20-6-4-5-16(23-20)21(27)24-18-11-14-13-26(15-7-9-30-10-8-15)25-17(14)12-19(18)29-3/h4-6,11-13,15,28H,7-10H2,1-3H3,(H,24,27)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414419
PNG
(N-[6-Methoxy-2-(tetrahydro-2H-pyran-4-yl)-2H-indaz...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCOCC1
Show InChI InChI=1S/C20H19F3N4O3/c1-29-17-10-15-12(11-27(26-15)13-5-7-30-8-6-13)9-16(17)25-19(28)14-3-2-4-18(24-14)20(21,22)23/h2-4,9-11,13H,5-8H2,1H3,(H,25,28)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414441
PNG
(US10435396, Example 20)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCS(=N)(=O)CC1
Show InChI InChI=1S/C20H20F3N5O3S/c1-31-17-10-15-12(11-28(27-15)13-5-7-32(24,30)8-6-13)9-16(17)26-19(29)14-3-2-4-18(25-14)20(21,22)23/h2-4,9-11,13,24H,5-8H2,1H3,(H,26,29)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414480
PNG
(2-[1-(3-Hydroxy-3-methylbutyl)piperidin-4-yl]-5-({...)
Show SMILES CC(C)(O)CCN1CCC(CC1)n1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(N)=O
Show InChI InChI=1S/C25H29F3N6O3/c1-24(2,37)8-11-33-9-6-16(7-10-33)34-14-15-12-20(17(22(29)35)13-19(15)32-34)31-23(36)18-4-3-5-21(30-18)25(26,27)28/h3-5,12-14,16,37H,6-11H2,1-2H3,(H2,29,35)(H,31,36)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414468
PNG
(N-[2-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)-6-(...)
Show SMILES CC(C)(O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCS(=O)(=O)CC1
Show InChI InChI=1S/C22H23F3N4O4S/c1-21(2,31)15-11-17-13(12-29(28-17)14-6-8-34(32,33)9-7-14)10-18(15)27-20(30)16-4-3-5-19(26-16)22(23,24)25/h3-5,10-12,14,31H,6-9H2,1-2H3,(H,27,30)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414447
PNG
(6-Amino-N-[6-methoxy-2-(tetrahydro-2H-pyran-4-yl)-...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(N)n1)C1CCOCC1
Show InChI InChI=1S/C19H21N5O3/c1-26-17-10-15-12(11-24(23-15)13-5-7-27-8-6-13)9-16(17)22-19(25)14-3-2-4-18(20)21-14/h2-4,9-11,13H,5-8H2,1H3,(H2,20,21)(H,22,25)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414475
PNG
(1-(Difluoromethyl)-N-[6-methoxy-2-(tetrahydro-2H-p...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1ccn(n1)C(F)F)C1CCOCC1
Show InChI InChI=1S/C18H19F2N5O3/c1-27-16-9-14-11(10-25(23-14)12-3-6-28-7-4-12)8-15(16)21-17(26)13-2-5-24(22-13)18(19)20/h2,5,8-10,12,18H,3-4,6-7H2,1H3,(H,21,26)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414464
PNG
(N-[6-(2-Hydroxypropan-2-yl)-2-(tetrahydro-2H-pyran...)
Show SMILES CC(C)(O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCOCC1
Show InChI InChI=1S/C22H23F3N4O3/c1-21(2,31)15-11-17-13(12-29(28-17)14-6-8-32-9-7-14)10-18(15)27-20(30)16-4-3-5-19(26-16)22(23,24)25/h3-5,10-12,14,31H,6-9H2,1-2H3,(H,27,30)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414422
PNG
(N-{6-Methoxy-2-[1-(2,2,2-trifluoroethyl)piperidin-...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CC(F)(F)F)CC1
Show InChI InChI=1S/C22H21F6N5O2/c1-35-18-10-16-13(11-33(31-16)14-5-7-32(8-6-14)12-21(23,24)25)9-17(18)30-20(34)15-3-2-4-19(29-15)22(26,27)28/h2-4,9-11,14H,5-8,12H2,1H3,(H,30,34)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414429
PNG
(N-{2-[1-(Acetylsulphamoyl)piperidin-4-yl]-6-methox...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CC1)S(=O)(=O)NC(C)=O
Show InChI InChI=1S/C22H23F3N6O5S/c1-13(32)29-37(34,35)30-8-6-15(7-9-30)31-12-14-10-18(19(36-2)11-17(14)28-31)27-21(33)16-4-3-5-20(26-16)22(23,24)25/h3-5,10-12,15H,6-9H2,1-2H3,(H,27,33)(H,29,32)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414440
PNG
(US10435396, Example 19 | rel-N-{6-Methoxy-2-[(1S,4...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)[C@H]1C[C@@H]2C[C@H]1CN2C
Show InChI InChI=1S/C22H22F3N5O2/c1-29-10-13-6-14(29)8-18(13)30-11-12-7-17(19(32-2)9-16(12)28-30)27-21(31)15-4-3-5-20(26-15)22(23,24)25/h3-5,7,9,11,13-14,18H,6,8,10H2,1-2H3,(H,27,31)/t13-,14-,18-/m0/s1
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414446
PNG
(N-[6-Methoxy-2-(tetrahydro-2H-pyran-4-yl)-2H-indaz...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1csc(C)n1)C1CCOCC1
Show InChI InChI=1S/C18H20N4O3S/c1-11-19-16(10-26-11)18(23)20-15-7-12-9-22(13-3-5-25-6-4-13)21-14(12)8-17(15)24-2/h7-10,13H,3-6H2,1-2H3,(H,20,23)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414458
PNG
(N-[6-Methoxy-2-(tetrahydrofuran-3-yl)-2H-indazol-5...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCOC1
Show InChI InChI=1S/C19H17F3N4O3/c1-28-16-8-14-11(9-26(25-14)12-5-6-29-10-12)7-15(16)24-18(27)13-3-2-4-17(23-13)19(20,21)22/h2-4,7-9,12H,5-6,10H2,1H3,(H,24,27)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414463
PNG
(Methyl 2-(tetrahydro-2H-pyran-4-yl)-5-({[6-(triflu...)
Show SMILES COC(=O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCOCC1
Show InChI InChI=1S/C21H19F3N4O4/c1-31-20(30)14-10-16-12(11-28(27-16)13-5-7-32-8-6-13)9-17(14)26-19(29)15-3-2-4-18(25-15)21(22,23)24/h2-4,9-11,13H,5-8H2,1H3,(H,26,29)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414443
PNG
(N-[6-Methoxy-2-(5-oxopyrrolidin-3-yl)-2H-indazol-5...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CNC(=O)C1
Show InChI InChI=1S/C19H16F3N5O3/c1-30-15-7-13-10(9-27(26-13)11-6-17(28)23-8-11)5-14(15)25-18(29)12-3-2-4-16(24-12)19(20,21)22/h2-5,7,9,11H,6,8H2,1H3,(H,23,28)(H,25,29)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414467
PNG
(N-{2-[(3S)-1,1-Dioxidotetrahydrothiophen-3-yl]-6-(...)
Show SMILES CC(C)(O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1
Show InChI InChI=1S/C21H21F3N4O4S/c1-20(2,30)14-9-16-12(10-28(27-16)13-6-7-33(31,32)11-13)8-17(14)26-19(29)15-4-3-5-18(25-15)21(22,23)24/h3-5,8-10,13,30H,6-7,11H2,1-2H3,(H,26,29)/t13-/m0/s1
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414437
PNG
(N-[6-(Cyclopropylmethoxy)-2-(1,1-dioxidotetrahydro...)
Show SMILES FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1OCC1CC1)C1CCS(=O)(=O)CC1
Show InChI InChI=1S/C23H23F3N4O4S/c24-23(25,26)21-3-1-2-17(27-21)22(31)28-19-10-15-12-30(16-6-8-35(32,33)9-7-16)29-18(15)11-20(19)34-13-14-4-5-14/h1-3,10-12,14,16H,4-9,13H2,(H,28,31)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414461
PNG
(N-[6-Chloro-2-(tetrahydro-2H-pyran-4-yl)-2H-indazo...)
Show SMILES FC(F)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1Cl)C1CCOCC1
Show InChI InChI=1S/C19H17ClF2N4O2/c20-13-9-16-11(10-26(25-16)12-4-6-28-7-5-12)8-17(13)24-19(27)15-3-1-2-14(23-15)18(21)22/h1-3,8-10,12,18H,4-7H2,(H,24,27)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414465
PNG
(N-{6-(2-Hydroxypropan-2-yl)-2-[(3S)-tetrahydrofura...)
Show SMILES CC(C)(O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)[C@H]1CCOC1
Show InChI InChI=1S/C21H21F3N4O3/c1-20(2,30)14-9-16-12(10-28(27-16)13-6-7-31-11-13)8-17(14)26-19(29)15-4-3-5-18(25-15)21(22,23)24/h3-5,8-10,13,30H,6-7,11H2,1-2H3,(H,26,29)/t13-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414466
PNG
(N-{6-(2-Hydroxypropan-2-yl)-2-[(3R)-tetrahydrofura...)
Show SMILES CC(C)(O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)[C@@H]1CCOC1
Show InChI InChI=1S/C21H21F3N4O3/c1-20(2,30)14-9-16-12(10-28(27-16)13-6-7-31-11-13)8-17(14)26-19(29)15-4-3-5-18(25-15)21(22,23)24/h3-5,8-10,13,30H,6-7,11H2,1-2H3,(H,26,29)/t13-/m1/s1
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414462
PNG
(N-[6-Chloro-2-(1,1-dioxidotetrahydro-2H-thiopyran-...)
Show SMILES CC(C)(O)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1Cl)C1CCS(=O)(=O)CC1
Show InChI InChI=1S/C21H23ClN4O4S/c1-21(2,28)19-5-3-4-16(23-19)20(27)24-18-10-13-12-26(25-17(13)11-15(18)22)14-6-8-31(29,30)9-7-14/h3-5,10-12,14,28H,6-9H2,1-2H3,(H,24,27)
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n/an/a 34n/an/an/an/an/an/a



Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414459
PNG
(N-[6-Chloro-2-(tetrahydro-2H-pyran-4-yl)-2H-indazo...)
Show SMILES FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1Cl)C1CCOCC1
Show InChI InChI=1S/C19H16ClF3N4O2/c20-13-9-15-11(10-27(26-15)12-4-6-29-7-5-12)8-16(13)25-18(28)14-2-1-3-17(24-14)19(21,22)23/h1-3,8-10,12H,4-7H2,(H,25,28)
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n/an/a 47n/an/an/an/an/an/a



Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414470
PNG
(N-[6-Methoxy-2-(tetrahydro-2H-pyran-4-yl)-2H-indaz...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1nc(cs1)C(F)(F)F)C1CCOCC1
Show InChI InChI=1S/C18H17F3N4O3S/c1-27-14-7-12-10(8-25(24-12)11-2-4-28-5-3-11)6-13(14)22-16(26)17-23-15(9-29-17)18(19,20)21/h6-9,11H,2-5H2,1H3,(H,22,26)
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n/an/a 65n/an/an/an/an/an/a



Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414478
PNG
(2-(Piperidin-4-yl)-5-({[6-(trifluoromethyl)pyridin...)
Show SMILES OC(=O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C20H18F3N5O3/c21-20(22,23)17-3-1-2-14(25-17)18(29)26-16-8-11-10-28(12-4-6-24-7-5-12)27-15(11)9-13(16)19(30)31/h1-3,8-10,12,24H,4-7H2,(H,26,29)(H,30,31)
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n/an/a 75n/an/an/an/an/an/a



Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414456
PNG
(2-Isopropyl-N-[6-methoxy-2-(tetrahydro-2H-pyran-4-...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1ccnc(n1)C(C)C)C1CCOCC1
Show InChI InChI=1S/C21H25N5O3/c1-13(2)20-22-7-4-16(23-20)21(27)24-18-10-14-12-26(15-5-8-29-9-6-15)25-17(14)11-19(18)28-3/h4,7,10-13,15H,5-6,8-9H2,1-3H3,(H,24,27)
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n/an/a 111n/an/an/an/an/an/a



Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414474
PNG
(N-[6-Chloro-2-(tetrahydro-2H-pyran-4-yl)-2H-indazo...)
Show SMILES FC(F)(F)c1csc(n1)C(=O)Nc1cc2cn(nc2cc1Cl)C1CCOCC1
Show InChI InChI=1S/C17H14ClF3N4O2S/c18-11-6-12-9(7-25(24-12)10-1-3-27-4-2-10)5-13(11)22-15(26)16-23-14(8-28-16)17(19,20)21/h5-8,10H,1-4H2,(H,22,26)
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Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414471
PNG
(N-[6-Methoxy-2-(tetrahydro-2H-pyran-4-yl)-2H-indaz...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1nc(no1)-c1ccncc1)C1CCOCC1
Show InChI InChI=1S/C21H20N6O4/c1-29-18-11-16-14(12-27(25-16)15-4-8-30-9-5-15)10-17(18)23-20(28)21-24-19(26-31-21)13-2-6-22-7-3-13/h2-3,6-7,10-12,15H,4-5,8-9H2,1H3,(H,23,28)
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n/an/a 691n/an/an/an/an/an/a



Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM414472
PNG
(N-[6-Methoxy-2-(tetrahydro-2H-pyran-4-yl)-2H-indaz...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1nc(C)no1)C1CCOCC1
Show InChI InChI=1S/C17H19N5O4/c1-10-18-17(26-21-10)16(23)19-14-7-11-9-22(12-3-5-25-6-4-12)20-13(11)8-15(14)24-2/h7-9,12H,3-6H2,1-2H3,(H,19,23)
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n/an/a 3.78E+3n/an/an/an/an/an/a



Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....


US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%