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Compile Data Set for Download or QSAR

Found 110 hits Enz. Inhib. hit(s) with all data for entry = 8566   
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
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259295
PNG
(US9499547, 36)
Show SMILES N[C@H]1C[C@@H](C1)Oc1ccc2ncc(-c3cc4c(F)cccc4o3)n2n1 |r,wU:1.0,wD:3.5,(-6.7,4.12,;-5.37,3.35,;-3.88,3.75,;-3.48,2.26,;-4.97,1.87,;-2.15,1.49,;-.81,2.26,;-.81,3.8,;.52,4.57,;1.85,3.8,;3.32,4.28,;4.22,3.03,;3.32,1.79,;4.09,.45,;3.18,-.79,;4.09,-2.04,;3.77,-3.54,;2.31,-4.02,;4.92,-4.57,;6.38,-4.1,;6.7,-2.59,;5.55,-1.56,;5.55,-.02,;1.85,2.26,;.52,1.49,)|
Show InChI InChI=1/C18H15FN4O2/c19-13-2-1-3-15-12(13)8-16(25-15)14-9-21-17-4-5-18(22-23(14)17)24-11-6-10(20)7-11/h1-5,8-11H,6-7,20H2/t10-,11-
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n/an/a 1n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259295
PNG
(US9499547, 36)
Show SMILES N[C@H]1C[C@@H](C1)Oc1ccc2ncc(-c3cc4c(F)cccc4o3)n2n1 |r,wU:1.0,wD:3.5,(-6.7,4.12,;-5.37,3.35,;-3.88,3.75,;-3.48,2.26,;-4.97,1.87,;-2.15,1.49,;-.81,2.26,;-.81,3.8,;.52,4.57,;1.85,3.8,;3.32,4.28,;4.22,3.03,;3.32,1.79,;4.09,.45,;3.18,-.79,;4.09,-2.04,;3.77,-3.54,;2.31,-4.02,;4.92,-4.57,;6.38,-4.1,;6.7,-2.59,;5.55,-1.56,;5.55,-.02,;1.85,2.26,;.52,1.49,)|
Show InChI InChI=1/C18H15FN4O2/c19-13-2-1-3-15-12(13)8-16(25-15)14-9-21-17-4-5-18(22-23(14)17)24-11-6-10(20)7-11/h1-5,8-11H,6-7,20H2/t10-,11-
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n/an/a 2n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259297
PNG
(US9499547, 38)
Show SMILES COc1ccc2oc(cc2c1)-c1cnc2ccc(O[C@H]3C[C@H](N)C3)nn12 |r,wU:21.23,wD:19.20,(5.74,-5.84,;4.6,-4.81,;4.92,-3.31,;6.38,-2.83,;6.7,-1.32,;5.55,-.29,;5.55,1.25,;4.09,1.72,;3.18,.48,;4.09,-.77,;3.77,-2.28,;3.32,3.06,;4.22,4.3,;3.32,5.55,;1.85,5.07,;.52,5.84,;-.81,5.07,;-.81,3.53,;-2.15,2.76,;-3.48,3.53,;-3.88,5.02,;-5.37,4.62,;-6.7,5.39,;-4.97,3.13,;.52,2.76,;1.85,3.53,)|
Show InChI InChI=1/C19H18N4O3/c1-24-13-2-3-16-11(6-13)7-17(26-16)15-10-21-18-4-5-19(22-23(15)18)25-14-8-12(20)9-14/h2-7,10,12,14H,8-9,20H2,1H3/t12-,14-
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n/an/a 3n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259298
PNG
(US9499547, 39)
Show SMILES N[C@H]1C[C@@H](C1)Oc1ccc2ncc(-c3cc4cc(F)ccc4o3)n2n1 |r,wU:1.0,wD:3.5,(-6.7,4.88,;-5.37,4.11,;-3.88,4.5,;-3.48,3.02,;-4.97,2.62,;-2.15,2.25,;-.81,3.02,;-.81,4.56,;.52,5.33,;1.85,4.56,;3.32,5.03,;4.22,3.79,;3.32,2.54,;4.09,1.21,;3.18,-.04,;4.09,-1.28,;3.77,-2.79,;4.92,-3.82,;4.6,-5.33,;6.38,-3.34,;6.7,-1.84,;5.55,-.81,;5.55,.73,;1.85,3.02,;.52,2.25,)|
Show InChI InChI=1/C18H15FN4O2/c19-11-1-2-15-10(5-11)6-16(25-15)14-9-21-17-3-4-18(22-23(14)17)24-13-7-12(20)8-13/h1-6,9,12-13H,7-8,20H2/t12-,13-
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n/an/a 3n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259260
PNG
(US9499547, 1)
Show SMILES COc1cccc2oc(cc12)-c1cnc2ccc(OCCCCN)nn12
Show InChI InChI=1S/C19H20N4O3/c1-24-15-5-4-6-16-13(15)11-17(26-16)14-12-21-18-7-8-19(22-23(14)18)25-10-3-2-9-20/h4-8,11-12H,2-3,9-10,20H2,1H3
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n/an/a 3n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259262
PNG
(US9499547, 3)
Show SMILES N[C@H]1C[C@H](C1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r,wU:3.5,1.0,(-6.7,4.12,;-5.37,3.35,;-3.88,3.75,;-3.48,2.26,;-4.97,1.87,;-2.15,1.49,;-.81,2.26,;-.81,3.8,;.52,4.57,;1.86,3.8,;3.32,4.28,;4.23,3.03,;3.32,1.79,;4.09,.45,;3.18,-.79,;4.09,-2.04,;3.77,-3.54,;4.91,-4.57,;6.38,-4.1,;6.7,-2.59,;5.55,-1.56,;5.55,-.02,;1.86,2.26,;.52,1.49,)|
Show InChI InChI=1/C18H16N4O2/c19-12-8-13(9-12)23-18-6-5-17-20-10-14(22(17)21-18)16-7-11-3-1-2-4-15(11)24-16/h1-7,10,12-13H,8-9,19H2/t12-,13+
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n/an/a 4n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259296
PNG
(US9499547, 37)
Show SMILES N[C@H]1C[C@@H](C1)Oc1ccc2ncc(-c3cc4cc(Cl)ccc4o3)n2n1 |r,wU:1.0,wD:3.5,(-6.7,4.88,;-5.37,4.11,;-3.88,4.5,;-3.48,3.02,;-4.97,2.62,;-2.15,2.25,;-.81,3.02,;-.81,4.56,;.52,5.33,;1.85,4.56,;3.32,5.03,;4.22,3.79,;3.32,2.54,;4.09,1.21,;3.18,-.04,;4.09,-1.28,;3.77,-2.79,;4.92,-3.82,;4.6,-5.33,;6.38,-3.34,;6.7,-1.84,;5.55,-.81,;5.55,.73,;1.85,3.02,;.52,2.25,)|
Show InChI InChI=1/C18H15ClN4O2/c19-11-1-2-15-10(5-11)6-16(25-15)14-9-21-17-3-4-18(22-23(14)17)24-13-7-12(20)8-13/h1-6,9,12-13H,7-8,20H2/t12-,13-
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n/an/a 4n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259279
PNG
(US9499547, 20)
Show SMILES NC[C@H]1CC(C1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r,wU:2.1,(-6.51,5.2,;-6.51,3.66,;-5.18,2.89,;-3.69,3.28,;-3.29,1.8,;-4.78,1.4,;-1.96,1.03,;-.63,1.8,;-.63,3.34,;.71,4.11,;2.04,3.34,;3.51,3.81,;4.41,2.57,;3.51,1.32,;3.9,-.17,;3,-1.41,;3.9,-2.66,;3.58,-4.17,;4.73,-5.2,;6.19,-4.72,;6.51,-3.21,;5.37,-2.18,;5.37,-.64,;2.04,1.8,;.71,1.03,)|
Show InChI InChI=1/C19H18N4O2/c20-10-12-7-14(8-12)24-19-6-5-18-21-11-15(23(18)22-19)17-9-13-3-1-2-4-16(13)25-17/h1-6,9,11-12,14H,7-8,10,20H2/t12-,14?
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n/an/a 4n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259263
PNG
(US9499547, 4)
Show SMILES COc1cccc2oc(cc12)-c1cnc2ccc(OCCCN)nn12
Show InChI InChI=1S/C18H18N4O3/c1-23-14-4-2-5-15-12(14)10-16(25-15)13-11-20-17-6-7-18(21-22(13)17)24-9-3-8-19/h2,4-7,10-11H,3,8-9,19H2,1H3
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n/an/a 5n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259260
PNG
(US9499547, 1)
Show SMILES COc1cccc2oc(cc12)-c1cnc2ccc(OCCCCN)nn12
Show InChI InChI=1S/C19H20N4O3/c1-24-15-5-4-6-16-13(15)11-17(26-16)14-12-21-18-7-8-19(22-23(14)18)25-10-3-2-9-20/h4-8,11-12H,2-3,9-10,20H2,1H3
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n/an/a 5n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259261
PNG
(US9499547, 2)
Show SMILES N[C@H]1C[C@@H](C1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r,wU:1.0,wD:3.5,(-6.7,4.12,;-5.37,3.35,;-3.88,3.75,;-3.48,2.26,;-4.97,1.87,;-2.15,1.49,;-.81,2.26,;-.81,3.8,;.52,4.57,;1.86,3.8,;3.32,4.28,;4.23,3.03,;3.32,1.79,;4.09,.45,;3.18,-.79,;4.09,-2.04,;3.77,-3.54,;4.91,-4.57,;6.38,-4.1,;6.7,-2.59,;5.55,-1.56,;5.55,-.02,;1.86,2.26,;.52,1.49,)|
Show InChI InChI=1/C18H16N4O2/c19-12-8-13(9-12)23-18-6-5-17-20-10-14(22(17)21-18)16-7-11-3-1-2-4-15(11)24-16/h1-7,10,12-13H,8-9,19H2/t12-,13-
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n/an/a 5n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259296
PNG
(US9499547, 37)
Show SMILES N[C@H]1C[C@@H](C1)Oc1ccc2ncc(-c3cc4cc(Cl)ccc4o3)n2n1 |r,wU:1.0,wD:3.5,(-6.7,4.88,;-5.37,4.11,;-3.88,4.5,;-3.48,3.02,;-4.97,2.62,;-2.15,2.25,;-.81,3.02,;-.81,4.56,;.52,5.33,;1.85,4.56,;3.32,5.03,;4.22,3.79,;3.32,2.54,;4.09,1.21,;3.18,-.04,;4.09,-1.28,;3.77,-2.79,;4.92,-3.82,;4.6,-5.33,;6.38,-3.34,;6.7,-1.84,;5.55,-.81,;5.55,.73,;1.85,3.02,;.52,2.25,)|
Show InChI InChI=1/C18H15ClN4O2/c19-11-1-2-15-10(5-11)6-16(25-15)14-9-21-17-3-4-18(22-23(14)17)24-13-7-12(20)8-13/h1-6,9,12-13H,7-8,20H2/t12-,13-
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n/an/a 5n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259265
PNG
(US9499547, 6)
Show SMILES COc1ccc2oc(cc2c1)-c1cnc2ccc(OCCN)nn12
Show InChI InChI=1S/C17H16N4O3/c1-22-12-2-3-14-11(8-12)9-15(24-14)13-10-19-16-4-5-17(20-21(13)16)23-7-6-18/h2-5,8-10H,6-7,18H2,1H3
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n/an/a 6n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259264
PNG
(US9499547, 5)
Show SMILES COc1cccc2oc(cc12)-c1cnc2ccc(OCCN)nn12
Show InChI InChI=1S/C17H16N4O3/c1-22-13-3-2-4-14-11(13)9-15(24-14)12-10-19-16-5-6-17(20-21(12)16)23-8-7-18/h2-6,9-10H,7-8,18H2,1H3
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n/an/a 6n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259279
PNG
(US9499547, 20)
Show SMILES NC[C@H]1CC(C1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r,wU:2.1,(-6.51,5.2,;-6.51,3.66,;-5.18,2.89,;-3.69,3.28,;-3.29,1.8,;-4.78,1.4,;-1.96,1.03,;-.63,1.8,;-.63,3.34,;.71,4.11,;2.04,3.34,;3.51,3.81,;4.41,2.57,;3.51,1.32,;3.9,-.17,;3,-1.41,;3.9,-2.66,;3.58,-4.17,;4.73,-5.2,;6.19,-4.72,;6.51,-3.21,;5.37,-2.18,;5.37,-.64,;2.04,1.8,;.71,1.03,)|
Show InChI InChI=1/C19H18N4O2/c20-10-12-7-14(8-12)24-19-6-5-18-21-11-15(23(18)22-19)17-9-13-3-1-2-4-16(13)25-17/h1-6,9,11-12,14H,7-8,10,20H2/t12-,14?
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n/an/a 6n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259276
PNG
(US9499547, 17)
Show SMILES N[C@H](COc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccccc1 |r|
Show InChI InChI=1/C22H18N4O2/c23-17(15-6-2-1-3-7-15)14-27-22-11-10-21-24-13-18(26(21)25-22)20-12-16-8-4-5-9-19(16)28-20/h1-13,17H,14,23H2/t17-/s2
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n/an/a 6n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259281
PNG
(US9499547, 22)
Show SMILES N[C@H]1C[C@H](COc2ccc3ncc(-c4cc5ccccc5o4)n3n2)C1 |r,wU:3.3,wD:1.0,(-7.18,-.29,;-5.85,.48,;-4.36,.08,;-3.96,1.57,;-2.63,2.34,;-1.29,1.57,;.04,2.34,;.04,3.88,;1.37,4.65,;2.71,3.88,;4.17,4.36,;5.08,3.11,;4.17,1.87,;4.57,.38,;3.67,-.87,;4.57,-2.11,;4.25,-3.62,;5.4,-4.65,;6.86,-4.18,;7.18,-2.67,;6.04,-1.64,;6.04,-.1,;2.71,2.34,;1.37,1.57,;-5.45,1.97,)|
Show InChI InChI=1/C19H18N4O2/c20-14-7-12(8-14)11-24-19-6-5-18-21-10-15(23(18)22-19)17-9-13-3-1-2-4-16(13)25-17/h1-6,9-10,12,14H,7-8,11,20H2/t12-,14-
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n/an/a 6n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259298
PNG
(US9499547, 39)
Show SMILES N[C@H]1C[C@@H](C1)Oc1ccc2ncc(-c3cc4cc(F)ccc4o3)n2n1 |r,wU:1.0,wD:3.5,(-6.7,4.88,;-5.37,4.11,;-3.88,4.5,;-3.48,3.02,;-4.97,2.62,;-2.15,2.25,;-.81,3.02,;-.81,4.56,;.52,5.33,;1.85,4.56,;3.32,5.03,;4.22,3.79,;3.32,2.54,;4.09,1.21,;3.18,-.04,;4.09,-1.28,;3.77,-2.79,;4.92,-3.82,;4.6,-5.33,;6.38,-3.34,;6.7,-1.84,;5.55,-.81,;5.55,.73,;1.85,3.02,;.52,2.25,)|
Show InChI InChI=1/C18H15FN4O2/c19-11-1-2-15-10(5-11)6-16(25-15)14-9-21-17-3-4-18(22-23(14)17)24-13-7-12(20)8-13/h1-6,9,12-13H,7-8,20H2/t12-,13-
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n/an/a 6n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259261
PNG
(US9499547, 2)
Show SMILES N[C@H]1C[C@@H](C1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r,wU:1.0,wD:3.5,(-6.7,4.12,;-5.37,3.35,;-3.88,3.75,;-3.48,2.26,;-4.97,1.87,;-2.15,1.49,;-.81,2.26,;-.81,3.8,;.52,4.57,;1.86,3.8,;3.32,4.28,;4.23,3.03,;3.32,1.79,;4.09,.45,;3.18,-.79,;4.09,-2.04,;3.77,-3.54,;4.91,-4.57,;6.38,-4.1,;6.7,-2.59,;5.55,-1.56,;5.55,-.02,;1.86,2.26,;.52,1.49,)|
Show InChI InChI=1/C18H16N4O2/c19-12-8-13(9-12)23-18-6-5-17-20-10-14(22(17)21-18)16-7-11-3-1-2-4-15(11)24-16/h1-7,10,12-13H,8-9,19H2/t12-,13-
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n/an/a 6n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259297
PNG
(US9499547, 38)
Show SMILES COc1ccc2oc(cc2c1)-c1cnc2ccc(O[C@H]3C[C@H](N)C3)nn12 |r,wU:21.23,wD:19.20,(5.74,-5.84,;4.6,-4.81,;4.92,-3.31,;6.38,-2.83,;6.7,-1.32,;5.55,-.29,;5.55,1.25,;4.09,1.72,;3.18,.48,;4.09,-.77,;3.77,-2.28,;3.32,3.06,;4.22,4.3,;3.32,5.55,;1.85,5.07,;.52,5.84,;-.81,5.07,;-.81,3.53,;-2.15,2.76,;-3.48,3.53,;-3.88,5.02,;-5.37,4.62,;-6.7,5.39,;-4.97,3.13,;.52,2.76,;1.85,3.53,)|
Show InChI InChI=1/C19H18N4O3/c1-24-13-2-3-16-11(6-13)7-17(26-16)15-10-21-18-4-5-19(22-23(15)18)25-14-8-12(20)9-14/h2-7,10,12,14H,8-9,20H2,1H3/t12-,14-
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n/an/a 6n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259266
PNG
(US9499547, 7)
Show SMILES C[C@H](N)COc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
Show InChI InChI=1/C17H16N4O2/c1-11(18)10-22-17-7-6-16-19-9-13(21(16)20-17)15-8-12-4-2-3-5-14(12)23-15/h2-9,11H,10,18H2,1H3/t11-/s2
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n/an/a 7n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259284
PNG
(US9499547, 25)
Show SMILES N[C@H]1CCC[C@H]1Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
Show InChI InChI=1/C19H18N4O2/c20-13-5-3-7-16(13)25-19-9-8-18-21-11-14(23(18)22-19)17-10-12-4-1-2-6-15(12)24-17/h1-2,4,6,8-11,13,16H,3,5,7,20H2/t13-,16+/s2
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n/an/a 7n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259268
PNG
(US9499547, 9)
Show SMILES COc1ccc2oc(cc2c1)-c1cnc2ccc(OCCCN)nn12
Show InChI InChI=1S/C18H18N4O3/c1-23-13-3-4-15-12(9-13)10-16(25-15)14-11-20-17-5-6-18(21-22(14)17)24-8-2-7-19/h3-6,9-11H,2,7-8,19H2,1H3
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n/an/a 7n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259267
PNG
(US9499547, 8)
Show SMILES NCCCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C18H18N4O2/c19-9-3-4-10-23-18-8-7-17-20-12-14(22(17)21-18)16-11-13-5-1-2-6-15(13)24-16/h1-2,5-8,11-12H,3-4,9-10,19H2
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n/an/a 7n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259270
PNG
(US9499547, 11)
Show SMILES NCCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C17H16N4O2/c18-8-3-9-22-17-7-6-16-19-11-13(21(16)20-17)15-10-12-4-1-2-5-14(12)23-15/h1-2,4-7,10-11H,3,8-9,18H2
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n/an/a 8n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259269
PNG
(US9499547, 10)
Show SMILES CC(C)(CCN)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C19H20N4O2/c1-19(2,9-10-20)25-18-8-7-17-21-12-14(23(17)22-18)16-11-13-5-3-4-6-15(13)24-16/h3-8,11-12H,9-10,20H2,1-2H3
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n/an/a 8n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259299
PNG
(US9499547, 40)
Show SMILES CC(CN)COc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |w:1.0|
Show InChI InChI=1/C18H18N4O2/c1-12(9-19)11-23-18-7-6-17-20-10-14(22(17)21-18)16-8-13-4-2-3-5-15(13)24-16/h2-8,10,12H,9,11,19H2,1H3
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n/an/a 9n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259276
PNG
(US9499547, 17)
Show SMILES N[C@H](COc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccccc1 |r|
Show InChI InChI=1/C22H18N4O2/c23-17(15-6-2-1-3-7-15)14-27-22-11-10-21-24-13-18(26(21)25-22)20-12-16-8-4-5-9-19(16)28-20/h1-13,17H,14,23H2/t17-/s2
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n/an/a 10n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259283
PNG
(US9499547, 24)
Show SMILES N[C@H]1CCC[C@@H]1Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
Show InChI InChI=1/C19H18N4O2/c20-13-5-3-7-16(13)25-19-9-8-18-21-11-14(23(18)22-19)17-10-12-4-1-2-6-15(12)24-17/h1-2,4,6,8-11,13,16H,3,5,7,20H2/t13-,16-/s2
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n/an/a 10n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259271
PNG
(US9499547, 12)
Show SMILES NCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C16H14N4O2/c17-7-8-21-16-6-5-15-18-10-12(20(15)19-16)14-9-11-3-1-2-4-13(11)22-14/h1-6,9-10H,7-8,17H2
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n/an/a 10n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259300
PNG
(US9499547, 41)
Show SMILES COc1cccc2oc(cc12)-c1cnc2ccc(OCC(N)C3CC3)nn12 |w:20.22|
Show InChI InChI=1/C20H20N4O3/c1-25-16-3-2-4-17-13(16)9-18(27-17)15-10-22-19-7-8-20(23-24(15)19)26-11-14(21)12-5-6-12/h2-4,7-10,12,14H,5-6,11,21H2,1H3
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n/an/a 12n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259265
PNG
(US9499547, 6)
Show SMILES COc1ccc2oc(cc2c1)-c1cnc2ccc(OCCN)nn12
Show InChI InChI=1S/C17H16N4O3/c1-22-12-2-3-14-11(8-12)9-15(24-14)13-10-19-16-4-5-17(20-21(13)16)23-7-6-18/h2-5,8-10H,6-7,18H2,1H3
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n/an/a 13n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259280
PNG
(US9499547, 21)
Show SMILES NCCOCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C18H18N4O3/c19-7-8-23-9-10-24-18-6-5-17-20-12-14(22(17)21-18)16-11-13-3-1-2-4-15(13)25-16/h1-6,11-12H,7-10,19H2
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n/an/a 14n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259272
PNG
(US9499547, 13)
Show SMILES C[C@H](CN)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
Show InChI InChI=1/C17H16N4O2/c1-11(9-18)22-17-7-6-16-19-10-13(21(16)20-17)15-8-12-4-2-3-5-14(12)23-15/h2-8,10-11H,9,18H2,1H3/t11-/s2
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n/an/a 14n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259285
PNG
(US9499547, 26)
Show SMILES NCC(Cc1ccccc1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |w:2.2|
Show InChI InChI=1/C23H20N4O2/c24-14-18(12-16-6-2-1-3-7-16)28-23-11-10-22-25-15-19(27(22)26-23)21-13-17-8-4-5-9-20(17)29-21/h1-11,13,15,18H,12,14,24H2
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n/an/a 15n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259301
PNG
(US9499547, 42)
Show SMILES C[C@@H](N)COc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
Show InChI InChI=1/C17H16N4O2/c1-11(18)10-22-17-7-6-16-19-9-13(21(16)20-17)15-8-12-4-2-3-5-14(12)23-15/h2-9,11H,10,18H2,1H3/t11-/s2
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n/an/a 15n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259263
PNG
(US9499547, 4)
Show SMILES COc1cccc2oc(cc12)-c1cnc2ccc(OCCCN)nn12
Show InChI InChI=1S/C18H18N4O3/c1-23-14-4-2-5-15-12(14)10-16(25-15)13-11-20-17-6-7-18(21-22(13)17)24-9-3-8-19/h2,4-7,10-11H,3,8-9,19H2,1H3
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n/an/a 15n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259314
PNG
(US9499547, 55)
Show SMILES NC[C@H](Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1cccnc1 |r|
Show InChI InChI=1/C21H17N5O2/c22-11-19(15-5-3-9-23-12-15)28-21-8-7-20-24-13-16(26(20)25-21)18-10-14-4-1-2-6-17(14)27-18/h1-10,12-13,19H,11,22H2/t19-/s2
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n/an/a 16n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259311
PNG
(US9499547, 52)
Show SMILES NCC(COc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccccc1 |w:2.1|
Show InChI InChI=1/C23H20N4O2/c24-13-18(16-6-2-1-3-7-16)15-28-23-11-10-22-25-14-19(27(22)26-23)21-12-17-8-4-5-9-20(17)29-21/h1-12,14,18H,13,15,24H2
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n/an/a 17n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259288
PNG
(US9499547, 29)
Show SMILES CC(C)(N)COc1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C18H18N4O2/c1-18(2,19)11-23-17-8-7-16-20-10-13(22(16)21-17)15-9-12-5-3-4-6-14(12)24-15/h3-10H,11,19H2,1-2H3
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n/an/a 17n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259267
PNG
(US9499547, 8)
Show SMILES NCCCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C18H18N4O2/c19-9-3-4-10-23-18-8-7-17-20-12-14(22(17)21-18)16-11-13-5-1-2-6-15(13)24-16/h1-2,5-8,11-12H,3-4,9-10,19H2
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n/an/a 17n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259304
PNG
(US9499547, 45)
Show SMILES C[C@H](N)COc1ccc2ncc(-c3cc4c(F)cccc4o3)n2n1 |r|
Show InChI InChI=1/C17H15FN4O2/c1-10(19)9-23-17-6-5-16-20-8-13(22(16)21-17)15-7-11-12(18)3-2-4-14(11)24-15/h2-8,10H,9,19H2,1H3/t10-/s2
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n/an/a 17n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259281
PNG
(US9499547, 22)
Show SMILES N[C@H]1C[C@H](COc2ccc3ncc(-c4cc5ccccc5o4)n3n2)C1 |r,wU:3.3,wD:1.0,(-7.18,-.29,;-5.85,.48,;-4.36,.08,;-3.96,1.57,;-2.63,2.34,;-1.29,1.57,;.04,2.34,;.04,3.88,;1.37,4.65,;2.71,3.88,;4.17,4.36,;5.08,3.11,;4.17,1.87,;4.57,.38,;3.67,-.87,;4.57,-2.11,;4.25,-3.62,;5.4,-4.65,;6.86,-4.18,;7.18,-2.67,;6.04,-1.64,;6.04,-.1,;2.71,2.34,;1.37,1.57,;-5.45,1.97,)|
Show InChI InChI=1/C19H18N4O2/c20-14-7-12(8-14)11-24-19-6-5-18-21-10-15(23(18)22-19)17-9-13-3-1-2-4-16(13)25-17/h1-6,9-10,12,14H,7-8,11,20H2/t12-,14-
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n/an/a 17n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259262
PNG
(US9499547, 3)
Show SMILES N[C@H]1C[C@H](C1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r,wU:3.5,1.0,(-6.7,4.12,;-5.37,3.35,;-3.88,3.75,;-3.48,2.26,;-4.97,1.87,;-2.15,1.49,;-.81,2.26,;-.81,3.8,;.52,4.57,;1.86,3.8,;3.32,4.28,;4.23,3.03,;3.32,1.79,;4.09,.45,;3.18,-.79,;4.09,-2.04,;3.77,-3.54,;4.91,-4.57,;6.38,-4.1,;6.7,-2.59,;5.55,-1.56,;5.55,-.02,;1.86,2.26,;.52,1.49,)|
Show InChI InChI=1/C18H16N4O2/c19-12-8-13(9-12)23-18-6-5-17-20-10-14(22(17)21-18)16-7-11-3-1-2-4-15(11)24-16/h1-7,10,12-13H,8-9,19H2/t12-,13+
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n/an/a 17n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259299
PNG
(US9499547, 40)
Show SMILES CC(CN)COc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |w:1.0|
Show InChI InChI=1/C18H18N4O2/c1-12(9-19)11-23-18-7-6-17-20-10-14(22(17)21-18)16-8-13-4-2-3-5-15(13)24-16/h2-8,10,12H,9,11,19H2,1H3
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n/an/a 18n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259264
PNG
(US9499547, 5)
Show SMILES COc1cccc2oc(cc12)-c1cnc2ccc(OCCN)nn12
Show InChI InChI=1S/C17H16N4O3/c1-22-13-3-2-4-14-11(13)9-15(24-14)12-10-19-16-5-6-17(20-21(12)16)23-8-7-18/h2-6,9-10H,7-8,18H2,1H3
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n/an/a 18n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259282
PNG
(US9499547, 23)
Show SMILES N[C@@H]1CCCC[C@H]1Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
Show InChI InChI=1/C20H20N4O2/c21-14-6-2-4-8-17(14)26-20-10-9-19-22-12-15(24(19)23-20)18-11-13-5-1-3-7-16(13)25-18/h1,3,5,7,9-12,14,17H,2,4,6,8,21H2/t14-,17-/s2
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n/an/a 18n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259266
PNG
(US9499547, 7)
Show SMILES C[C@H](N)COc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
Show InChI InChI=1/C17H16N4O2/c1-11(18)10-22-17-7-6-16-19-9-13(21(16)20-17)15-8-12-4-2-3-5-14(12)23-15/h2-9,11H,10,18H2,1H3/t11-/s2
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n/an/a 18n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259283
PNG
(US9499547, 24)
Show SMILES N[C@H]1CCC[C@@H]1Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
Show InChI InChI=1/C19H18N4O2/c20-13-5-3-7-16(13)25-19-9-8-18-21-11-14(23(18)22-19)17-10-12-4-1-2-6-15(12)24-17/h1-2,4,6,8-11,13,16H,3,5,7,20H2/t13-,16-/s2
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n/an/a 19n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259313
PNG
(US9499547, 54)
Show SMILES NCC(Cc1ccncc1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |w:2.2|
Show InChI InChI=1/C22H19N5O2/c23-13-17(11-15-7-9-24-10-8-15)28-22-6-5-21-25-14-18(27(21)26-22)20-12-16-3-1-2-4-19(16)29-20/h1-10,12,14,17H,11,13,23H2
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n/an/a 19n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
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