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Patent code US9951086

Compile Data Set for Download or QSAR

Found 310 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390177
PNG
(US9951086, Example 66)
Show SMILES CCOc1cc2nn(CC(=O)N3CCC(CC3)N(C)C)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C25H29F3N6O3/c1-4-37-21-13-19-16(12-20(21)30-24(36)18-6-5-7-22(29-18)25(26,27)28)14-34(31-19)15-23(35)33-10-8-17(9-11-33)32(2)3/h5-7,12-14,17H,4,8-11,15H2,1-3H3,(H,30,36)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390155
PNG
(US9951086, Example 47)
Show SMILES FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCC1CC1
Show InChI InChI=1S/C24H24F3N5O4/c25-24(26,27)21-3-1-2-17(28-21)23(34)29-19-10-16-12-32(13-22(33)31-6-8-35-9-7-31)30-18(16)11-20(19)36-14-15-4-5-15/h1-3,10-12,15H,4-9,13-14H2,(H,29,34)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390154
PNG
(US9951086, Example 46)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(OCC3CC3)cc2n1
Show InChI InChI=1S/C25H27F3N6O3/c1-32-7-9-33(10-8-32)23(35)14-34-13-17-11-20(21(12-19(17)31-34)37-15-16-5-6-16)30-24(36)18-3-2-4-22(29-18)25(26,27)28/h2-4,11-13,16H,5-10,14-15H2,1H3,(H,30,36)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390413
PNG
(US9951086, Example 300)
Show SMILES OCCCOc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N5O5/c24-23(25,26)20-4-1-3-16(27-20)22(34)28-18-11-15-13-31(14-21(33)30-5-9-35-10-6-30)29-17(15)12-19(18)36-8-2-7-32/h1,3-4,11-13,32H,2,5-10,14H2,(H,28,34)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390332
PNG
(US9951086, Example 219)
Show SMILES CC(C)Oc1cc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2cc1NC(=O)c1cccc(C)n1
Show InChI InChI=1S/C30H32N6O4/c1-20(2)40-27-17-25-23(16-26(27)32-29(38)24-11-7-8-21(3)31-24)18-36(33-25)19-28(37)34-12-14-35(15-13-34)30(39)22-9-5-4-6-10-22/h4-11,16-18,20H,12-15,19H2,1-3H3,(H,32,38)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390178
PNG
(US9951086, Example 67)
Show SMILES CCOc1cc2nn(CC(=O)N3CCC(CC3)N3CCCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C27H31F3N6O3/c1-2-39-23-15-21-18(14-22(23)32-26(38)20-6-5-7-24(31-20)27(28,29)30)16-36(33-21)17-25(37)35-12-8-19(9-13-35)34-10-3-4-11-34/h5-7,14-16,19H,2-4,8-13,17H2,1H3,(H,32,38)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390334
PNG
(US9951086, Example 221 | US9951086, Example 222)
Show SMILES CC(C)Oc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C24H27F3N6O3/c1-15(2)36-20-12-18-16(13-33(30-18)14-22(34)32-9-7-31(3)8-10-32)11-19(20)29-23(35)17-5-4-6-21(28-17)24(25,26)27/h4-6,11-13,15H,7-10,14H2,1-3H3,(H,29,35)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390334
PNG
(US9951086, Example 221 | US9951086, Example 222)
Show SMILES CC(C)Oc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C24H27F3N6O3/c1-15(2)36-20-12-18-16(13-33(30-18)14-22(34)32-9-7-31(3)8-10-32)11-19(20)29-23(35)17-5-4-6-21(28-17)24(25,26)27/h4-6,11-13,15H,7-10,14H2,1-3H3,(H,29,35)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390156
PNG
(US9951086, Example 48)
Show SMILES CC(C)(O)C1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(OCC3CC3)cc2n1
Show InChI InChI=1S/C28H32F3N5O4/c1-27(2,39)19-8-10-35(11-9-19)25(37)15-36-14-18-12-22(23(13-21(18)34-36)40-16-17-6-7-17)33-26(38)20-4-3-5-24(32-20)28(29,30)31/h3-5,12-14,17,19,39H,6-11,15-16H2,1-2H3,(H,33,38)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390179
PNG
(US9951086, Example 68)
Show SMILES CCOc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C23H25F3N6O3/c1-3-35-19-12-17-15(13-32(29-17)14-21(33)31-9-7-30(2)8-10-31)11-18(19)28-22(34)16-5-4-6-20(27-16)23(24,25)26/h4-6,11-13H,3,7-10,14H2,1-2H3,(H,28,34)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390330
PNG
(US9951086, Example 217)
Show SMILES CC(C)Oc1cc2nn(CC(=O)N3CCN(CC3)C(=O)C3CC3)cc2cc1NC(=O)c1cccc(C)n1
Show InChI InChI=1S/C27H32N6O4/c1-17(2)37-24-14-22-20(13-23(24)29-26(35)21-6-4-5-18(3)28-21)15-33(30-22)16-25(34)31-9-11-32(12-10-31)27(36)19-7-8-19/h4-6,13-15,17,19H,7-12,16H2,1-3H3,(H,29,35)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390180
PNG
(US9951086, Example 69)
Show SMILES CCOc1cc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C29H27F3N6O4/c1-2-42-24-16-22-20(15-23(24)34-27(40)21-9-6-10-25(33-21)29(30,31)32)17-38(35-22)18-26(39)36-11-13-37(14-12-36)28(41)19-7-4-3-5-8-19/h3-10,15-17H,2,11-14,18H2,1H3,(H,34,40)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390406
PNG
(US9951086, Example 293)
Show SMILES FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OC1CCCC1
Show InChI InChI=1S/C25H26F3N5O4/c26-25(27,28)22-7-3-6-18(29-22)24(35)30-20-12-16-14-33(15-23(34)32-8-10-36-11-9-32)31-19(16)13-21(20)37-17-4-1-2-5-17/h3,6-7,12-14,17H,1-2,4-5,8-11,15H2,(H,30,35)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390119
PNG
(US9951086, Example 11)
Show SMILES COc1cc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2cc1NC(=O)c1cccc(n1)C(C)O
Show InChI InChI=1S/C29H30N6O5/c1-19(36)22-9-6-10-23(30-22)28(38)31-25-15-21-17-35(32-24(21)16-26(25)40-2)18-27(37)33-11-13-34(14-12-33)29(39)20-7-4-3-5-8-20/h3-10,15-17,19,36H,11-14,18H2,1-2H3,(H,31,38)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390351
PNG
(US9951086, Example 238)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(C)n3)c(OCc3ccccc3)cc2n1
Show InChI InChI=1S/C28H30N6O3/c1-20-7-6-10-23(29-20)28(36)30-25-15-22-17-34(18-27(35)33-13-11-32(2)12-14-33)31-24(22)16-26(25)37-19-21-8-4-3-5-9-21/h3-10,15-17H,11-14,18-19H2,1-2H3,(H,30,36)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390409
PNG
(US9951086, Example 296)
Show SMILES FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCC1CCC1
Show InChI InChI=1S/C25H26F3N5O4/c26-25(27,28)22-6-2-5-18(29-22)24(35)30-20-11-17-13-33(14-23(34)32-7-9-36-10-8-32)31-19(17)12-21(20)37-15-16-3-1-4-16/h2,5-6,11-13,16H,1,3-4,7-10,14-15H2,(H,30,35)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390331
PNG
(US9951086, Example 218)
Show SMILES CC(C)Oc1cc2nn(CC(=O)N3CCN(CC3)C(=O)C3CC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C27H29F3N6O4/c1-16(2)40-22-13-20-18(12-21(22)32-25(38)19-4-3-5-23(31-19)27(28,29)30)14-36(33-20)15-24(37)34-8-10-35(11-9-34)26(39)17-6-7-17/h3-5,12-14,16-17H,6-11,15H2,1-2H3,(H,32,38)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390368
PNG
(US9951086, Example 255)
Show SMILES COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)F
Show InChI InChI=1S/C21H21F2N5O4/c1-31-18-10-16-13(11-28(26-16)12-19(29)27-5-7-32-8-6-27)9-17(18)25-21(30)15-4-2-3-14(24-15)20(22)23/h2-4,9-11,20H,5-8,12H2,1H3,(H,25,30)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390385
PNG
(US9951086, Example 272 | US9951086, Example 273)
Show SMILES COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(O)C(F)(F)F
Show InChI InChI=1S/C22H22F3N5O5/c1-34-18-10-16-13(11-30(28-16)12-19(31)29-5-7-35-8-6-29)9-17(18)27-21(33)15-4-2-3-14(26-15)20(32)22(23,24)25/h2-4,9-11,20,32H,5-8,12H2,1H3,(H,27,33)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390402
PNG
(US9951086, Example 289)
Show SMILES FC(F)(F)COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C22H19F6N5O4/c23-21(24,25)12-37-17-9-15-13(10-33(31-15)11-19(34)32-4-6-36-7-5-32)8-16(17)30-20(35)14-2-1-3-18(29-14)22(26,27)28/h1-3,8-10H,4-7,11-12H2,(H,30,35)
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n/an/a 9n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390377
PNG
(Methyl 2-[2-(morpholin-4-yl)-2-oxoethyl]-5-({[6-(t...)
Show SMILES COC(=O)c1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C22H20F3N5O5/c1-34-21(33)14-10-16-13(11-30(28-16)12-19(31)29-5-7-35-8-6-29)9-17(14)27-20(32)15-3-2-4-18(26-15)22(23,24)25/h2-4,9-11H,5-8,12H2,1H3,(H,27,32)
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n/an/a 10n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390157
PNG
(US9951086, Example 49)
Show SMILES CN(CC1CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(OCC3CC3)cc2n1
Show InChI InChI=1S/C25H26F3N5O3/c1-32(11-15-5-6-15)23(34)13-33-12-17-9-20(21(10-19(17)31-33)36-14-16-7-8-16)30-24(35)18-3-2-4-22(29-18)25(26,27)28/h2-4,9-10,12,15-16H,5-8,11,13-14H2,1H3,(H,30,35)
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n/an/a 10n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390142
PNG
(US9951086, Example 34)
Show SMILES Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)nc2cc1F
Show InChI InChI=1S/C30H27FN8O3/c1-36-17-22(16-32-36)24-8-5-9-25(33-24)29(41)34-27-14-21-18-39(35-26(21)15-23(27)31)19-28(40)37-10-12-38(13-11-37)30(42)20-6-3-2-4-7-20/h2-9,14-18H,10-13,19H2,1H3,(H,34,41)
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n/an/a 11n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390320
PNG
(US9951086, Example 207)
Show SMILES CCOc1cc2nn(CC(=O)N(C)CC3CC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N5O3/c1-3-34-19-10-17-15(12-31(29-17)13-21(32)30(2)11-14-7-8-14)9-18(19)28-22(33)16-5-4-6-20(27-16)23(24,25)26/h4-6,9-10,12,14H,3,7-8,11,13H2,1-2H3,(H,28,33)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390175
PNG
(US9951086, Example 65)
Show SMILES COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H20F3N5O4/c1-32-17-10-15-13(11-29(27-15)12-19(30)28-5-7-33-8-6-28)9-16(17)26-20(31)14-3-2-4-18(25-14)21(22,23)24/h2-4,9-11H,5-8,12H2,1H3,(H,26,31)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390349
PNG
(US9951086, Example 236)
Show SMILES Cc1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCC(CC3)C(C)(C)O)nc2cc1OCc1ccccc1
Show InChI InChI=1S/C31H35N5O4/c1-21-8-7-11-25(32-21)30(38)33-27-16-23-18-36(19-29(37)35-14-12-24(13-15-35)31(2,3)39)34-26(23)17-28(27)40-20-22-9-5-4-6-10-22/h4-11,16-18,24,39H,12-15,19-20H2,1-3H3,(H,33,38)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390333
PNG
(US9951086, Example 220)
Show SMILES CC(C)Oc1cc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C30H29F3N6O4/c1-19(2)43-25-16-23-21(15-24(25)35-28(41)22-9-6-10-26(34-22)30(31,32)33)17-39(36-23)18-27(40)37-11-13-38(14-12-37)29(42)20-7-4-3-5-8-20/h3-10,15-17,19H,11-14,18H2,1-2H3,(H,35,41)
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n/an/a 13n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390182
PNG
(US9951086, Example 71)
Show SMILES CCOc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N5O4/c1-2-34-18-11-16-14(12-30(28-16)13-20(31)29-6-8-33-9-7-29)10-17(18)27-21(32)15-4-3-5-19(26-15)22(23,24)25/h3-5,10-12H,2,6-9,13H2,1H3,(H,27,32)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390414
PNG
(US9951086, Example 301)
Show SMILES CC(O)COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N5O5/c1-14(32)13-36-19-10-17-15(11-31(29-17)12-21(33)30-5-7-35-8-6-30)9-18(19)28-22(34)16-3-2-4-20(27-16)23(24,25)26/h2-4,9-11,14,32H,5-8,12-13H2,1H3,(H,28,34)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390405
PNG
(US9951086, Example 292)
Show SMILES FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCC1CCCO1
Show InChI InChI=1S/C25H26F3N5O5/c26-25(27,28)22-5-1-4-18(29-22)24(35)30-20-11-16-13-33(14-23(34)32-6-9-36-10-7-32)31-19(16)12-21(20)38-15-17-3-2-8-37-17/h1,4-5,11-13,17H,2-3,6-10,14-15H2,(H,30,35)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390401
PNG
(US9951086, Example 288)
Show SMILES FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCCCC#N
Show InChI InChI=1S/C24H23F3N6O4/c25-24(26,27)21-5-3-4-17(29-21)23(35)30-19-12-16-14-33(15-22(34)32-7-10-36-11-8-32)31-18(16)13-20(19)37-9-2-1-6-28/h3-5,12-14H,1-2,7-11,15H2,(H,30,35)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390374
PNG
(N-{6-(3-Hydroxy-2,2-dimethylpropoxy)-2-[2-(morphol...)
Show SMILES CC(C)(CO)COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C25H28F3N5O5/c1-24(2,14-34)15-38-20-11-18-16(12-33(31-18)13-22(35)32-6-8-37-9-7-32)10-19(20)30-23(36)17-4-3-5-21(29-17)25(26,27)28/h3-5,10-12,34H,6-9,13-15H2,1-2H3,(H,30,36)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390222
PNG
(US9951086, Example 109)
Show SMILES O=C(Cn1cc2cc(NC(=O)c3cccc(n3)-c3cn[nH]c3)ccc2n1)N1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H26N8O3/c38-27(35-11-13-36(14-12-35)29(40)20-5-2-1-3-6-20)19-37-18-21-15-23(9-10-25(21)34-37)32-28(39)26-8-4-7-24(33-26)22-16-30-31-17-22/h1-10,15-18H,11-14,19H2,(H,30,31)(H,32,39)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390415
PNG
(US9951086, Example 302)
Show SMILES OCCOc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N5O5/c23-22(24,25)19-3-1-2-15(26-19)21(33)27-17-10-14-12-30(13-20(32)29-4-7-34-8-5-29)28-16(14)11-18(17)35-9-6-31/h1-3,10-12,31H,4-9,13H2,(H,27,33)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390160
PNG
(US9951086, Example 52)
Show SMILES CC(C)(O)C1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(OCc3ccccn3)cc2n1
Show InChI InChI=1S/C30H31F3N6O4/c1-29(2,42)20-9-12-38(13-10-20)27(40)17-39-16-19-14-24(36-28(41)22-7-5-8-26(35-22)30(31,32)33)25(15-23(19)37-39)43-18-21-6-3-4-11-34-21/h3-8,11,14-16,20,42H,9-10,12-13,17-18H2,1-2H3,(H,36,41)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390144
PNG
(US9951086, Example 36)
Show SMILES Cn1cc(cn1)-c1nc(ccc1F)C(=O)Nc1cc2cn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)nc2cc1F
Show InChI InChI=1S/C30H26F2N8O3/c1-37-16-21(15-33-37)28-22(31)7-8-24(34-28)29(42)35-26-13-20-17-40(36-25(20)14-23(26)32)18-27(41)38-9-11-39(12-10-38)30(43)19-5-3-2-4-6-19/h2-8,13-17H,9-12,18H2,1H3,(H,35,42)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390404
PNG
(US9951086, Example 291)
Show SMILES CC(C)(C)COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C25H28F3N5O4/c1-24(2,3)15-37-20-12-18-16(13-33(31-18)14-22(34)32-7-9-36-10-8-32)11-19(20)30-23(35)17-5-4-6-21(29-17)25(26,27)28/h4-6,11-13H,7-10,14-15H2,1-3H3,(H,30,35)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390367
PNG
(US9951086, Example 254)
Show SMILES COc1cc2nn(CC(=O)N3CCC(F)(F)C3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H18F5N5O3/c1-34-16-8-14-12(9-31(29-14)10-18(32)30-6-5-20(22,23)11-30)7-15(16)28-19(33)13-3-2-4-17(27-13)21(24,25)26/h2-4,7-9H,5-6,10-11H2,1H3,(H,28,33)
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BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390158
PNG
(US9951086, Example 50)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(OCc3ccccn3)cc2n1
Show InChI InChI=1S/C27H26F3N7O3/c1-35-9-11-36(12-10-35)25(38)16-37-15-18-13-22(33-26(39)20-6-4-7-24(32-20)27(28,29)30)23(14-21(18)34-37)40-17-19-5-2-3-8-31-19/h2-8,13-15H,9-12,16-17H2,1H3,(H,33,39)
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n/an/a 19n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390361
PNG
(US9951086, Example 248)
Show SMILES COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(C)(C)O
Show InChI InChI=1S/C23H27N5O5/c1-23(2,31)20-6-4-5-16(24-20)22(30)25-18-11-15-13-28(26-17(15)12-19(18)32-3)14-21(29)27-7-9-33-10-8-27/h4-6,11-13,31H,7-10,14H2,1-3H3,(H,25,30)
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n/an/a 20n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390407
PNG
(US9951086, Example 294)
Show SMILES FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCC#N
Show InChI InChI=1S/C22H19F3N6O4/c23-22(24,25)19-3-1-2-15(27-19)21(33)28-17-10-14-12-31(13-20(32)30-5-8-34-9-6-30)29-16(14)11-18(17)35-7-4-26/h1-3,10-12H,5-9,13H2,(H,28,33)
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n/an/a 20n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390417
PNG
(US9951086, Example 304)
Show SMILES CCOC(=O)COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N5O6/c1-2-37-22(34)14-38-19-11-17-15(12-32(30-17)13-21(33)31-6-8-36-9-7-31)10-18(19)29-23(35)16-4-3-5-20(28-16)24(25,26)27/h3-5,10-12H,2,6-9,13-14H2,1H3,(H,29,35)
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n/an/a 20n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390161
PNG
(US9951086, Example 53)
Show SMILES CN(CC1CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(OCc3ccccn3)cc2n1
Show InChI InChI=1S/C27H25F3N6O3/c1-35(13-17-8-9-17)25(37)15-36-14-18-11-22(33-26(38)20-6-4-7-24(32-20)27(28,29)30)23(12-21(18)34-36)39-16-19-5-2-3-10-31-19/h2-7,10-12,14,17H,8-9,13,15-16H2,1H3,(H,33,38)
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n/an/a 20n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390226
PNG
(US9951086, Example 113)
Show SMILES FC(F)(F)c1n[nH]cc1-c1cccc(n1)C(=O)Nc1ccc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccccc3)cc2c1
Show InChI InChI=1S/C30H25F3N8O3/c31-30(32,33)27-22(16-34-37-27)24-7-4-8-25(36-24)28(43)35-21-9-10-23-20(15-21)17-41(38-23)18-26(42)39-11-13-40(14-12-39)29(44)19-5-2-1-3-6-19/h1-10,15-17H,11-14,18H2,(H,34,37)(H,35,43)
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n/an/a 20n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390390
PNG
(US9951086, Example 277)
Show SMILES COc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c1cccc(NCC(C)C)n1
Show InChI InChI=1S/C25H33N7O3/c1-17(2)14-26-23-7-5-6-19(27-23)25(34)28-21-12-18-15-32(29-20(18)13-22(21)35-4)16-24(33)31-10-8-30(3)9-11-31/h5-7,12-13,15,17H,8-11,14,16H2,1-4H3,(H,26,27)(H,28,34)
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n/an/a 20n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390181
PNG
(US9951086, Example 70)
Show SMILES CCOc1cc2nn(CC(=O)N3CCC(CC3)C(C)(C)O)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C26H30F3N5O4/c1-4-38-21-13-19-16(12-20(21)31-24(36)18-6-5-7-22(30-18)26(27,28)29)14-34(32-19)15-23(35)33-10-8-17(9-11-33)25(2,3)37/h5-7,12-14,17,37H,4,8-11,15H2,1-3H3,(H,31,36)
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n/an/a 21n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390366
PNG
(US9951086, Example 253)
Show SMILES COc1cc2nn(CC(=O)N3CCCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H20F3N5O3/c1-32-17-10-15-13(11-29(27-15)12-19(30)28-7-2-3-8-28)9-16(17)26-20(31)14-5-4-6-18(25-14)21(22,23)24/h4-6,9-11H,2-3,7-8,12H2,1H3,(H,26,31)
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n/an/a 24n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390141
PNG
(US9951086, Example 33)
Show SMILES Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCN(CC3)C(=O)C3CC3)nc2cc1F
Show InChI InChI=1S/C27H27FN8O3/c1-33-14-19(13-29-33)21-3-2-4-22(30-21)26(38)31-24-11-18-15-36(32-23(18)12-20(24)28)16-25(37)34-7-9-35(10-8-34)27(39)17-5-6-17/h2-4,11-15,17H,5-10,16H2,1H3,(H,31,38)
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n/an/a 25n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390400
PNG
(N-{6-Hydroxy-2-[2-(morpholin-4-yl)-2-oxoethyl]-2H-...)
Show SMILES Oc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C20H18F3N5O4/c21-20(22,23)17-3-1-2-13(24-17)19(31)25-15-8-12-10-28(26-14(12)9-16(15)29)11-18(30)27-4-6-32-7-5-27/h1-3,8-10,29H,4-7,11H2,(H,25,31)
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n/an/a 25n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM390422
PNG
(N-{6-(2-Hydroxypropan-2-yl)-2-[2-(morpholin-4-yl)-...)
Show SMILES CC(C)(O)c1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N5O4/c1-22(2,34)15-11-17-14(12-31(29-17)13-20(32)30-6-8-35-9-7-30)10-18(15)28-21(33)16-4-3-5-19(27-16)23(24,25)26/h3-5,10-12,34H,6-9,13H2,1-2H3,(H,28,33)
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n/an/a 25n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

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 US9951086 (2018)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%