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Compile Data Set for Download or QSAR

Found 432 hits with Last Name = 'hitchcock' and Initial = 'm'   
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
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50134989
PNG
(CHEMBL3746640)
Show SMILES NC(=O)c1c(Oc2cccc(CNS(N)(=O)=O)c2)cc(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C20H16F3IN4O4S/c21-13-7-11(24)4-5-15(13)28-19-17(20(25)29)16(8-14(22)18(19)23)32-12-3-1-2-10(6-12)9-27-33(26,30)31/h1-8,27-28H,9H2,(H2,25,29)(H2,26,30,31)
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n/an/a 1.80n/an/an/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of MEK1 in human HeLa-MaTu matched pair cells assessed as reduction in ERK phosphorylation


Bioorg Med Chem Lett 26: 186-93 (2015)


BindingDB Entry DOI: 10.7270/Q26M38NN
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
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM378995
PNG
(Preparation of {3-[({2-[1-(4-ethoxy-2,6-difluorobe...)
PDB
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n/an/a 2.40n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM378915
PNG
(2-[1-(6-chloro-2-fluoro-3-methylbenzyl)-1H-indazol...)
PDB
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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM378932
PNG
(2-[1-(6-chloro-2- fluoro-3- methoxybenzyl)- 1H-ind...)
PDB
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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
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
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379026
PNG
(Preparation of 1-[3,5-difluoro-4-({3-[5-methoxy-4-...)
PDB
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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379006
PNG
(US10266548, Example 4-2-1 | {3[({2-[1-(2- fluorobe...)
PDB
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n/an/a 3.30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379042
PNG
(Preparation of 2-({2-[1-(4-ethoxy-2,6-difluorobenz...)
PDB
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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379108
PNG
(2-[1-(4-ethoxy-2,6- difluorobenzyl)-1H- indazol-3-...)
PDB
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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379107
PNG
(Preparation of 5-(2-aminoethoxy)-2-[1-(4-ethoxy-2,...)
PDB
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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379024
PNG
(Preparation of 2-[1-(4-cyclopropyl-2,6-difluoroben...)
PDB
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n/an/a 3.90n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
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))
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))
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
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM378946
PNG
(2-[1-(2-chloro- 4,5- dimethylbenzyl)- 1H-indazol-3...)
PDB
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n/an/a 4.40n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM378960
PNG
(2-[1-(2,6- difluoro-3- methoxybenzyl)- 1H-indazol-...)
PDB
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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379040
PNG
(Preparation of (2R)-3-({2-[1-(2-fluorobenzyl)-1H-i...)
PDB
MMDB

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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379040
PNG
(Preparation of (2R)-3-({2-[1-(2-fluorobenzyl)-1H-i...)
PDB
MMDB

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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM378973
PNG
(2-[1-(4-ethoxy- 2,6- difluorobenzyl)- 1H-indazol-3...)
PDB
MMDB

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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM378991
PNG
(Preparation of 2-[1-(4-ethoxy-2,6-difluorobenzyl)-...)
PDB
MMDB

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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM341151
PNG
(4-({2-[4-chloro-5-cyclopropyl-1-(4-ethoxy-2,6-difl...)
Show SMILES CCOc1cc(F)c(Cn2nc(c(Cl)c2C2CC2)-c2nccc(Nc3ccncc3C(=O)NC)n2)c(F)c1
PDB
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n/an/a 4.70n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent




US Patent US9765058 (2017)


BindingDB Entry DOI: 10.7270/Q2JQ1347
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379045
PNG
(4-({2-[1-(2- fluorobenzyl)- 1H-indazol-3-yl]- 5-(2...)
PDB
MMDB

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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM378980
PNG
(2-[1-(2-chloro-4- methoxybenzyl)- 1H-indazol-3-yl]...)
PDB
MMDB

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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379041
PNG
((2S)-3-({2-[1-(2- fluorobenzyl)- 1H-indazol-3-yl]-...)
PDB
MMDB

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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM378982
PNG
(2-[1-(2,6- difluorobenzyl)- 1H-indazol-3-yl]- 5-me...)
PDB
MMDB

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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379103
PNG
(Preparation of 2-[1-(4-ethoxy-2,6-difluorobenzyl)-...)
PDB
MMDB

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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
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))
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))
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
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379085
PNG
(4-({2-[1-(2,6- difluoro-4- hydroxybenzyl)-1H- inda...)
PDB
MMDB

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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379021
PNG
(Preparation of 2-[1-(4-ethoxy-2,6-difluorobenzyl)-...)
PDB
MMDB

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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379049
PNG
(Preparation of 2-[1-(4-ethoxy-2,6-difluorobenzyl)-...)
PDB
MMDB

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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379019
PNG
(1-({2-[1-(4- ethoxy-2,6- difluorobenzyl)- 1H-indaz...)
PDB
MMDB

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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379083
PNG
(4-({5-methoxy-2-[1- (4-propylbenzyl)- 1H-indazol-3...)
PDB
MMDB

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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM378971
PNG
(2-[1-(2,6- difluoro-3- methylbenzyl)- 1H-indazol-3...)
PDB
MMDB

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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379041
PNG
((2S)-3-({2-[1-(2- fluorobenzyl)- 1H-indazol-3-yl]-...)
PDB
MMDB

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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM378958
PNG
(2-{1-[4- (difluoro- methoxy)-2,6- difluorobenzyl]-...)
PDB
MMDB

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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM341153
PNG
(2-[4-chloro-5-cyclopropyl-1-(4-ethoxy-2,6-difluoro...)
Show SMILES CCOc1cc(F)c(Cn2nc(c(Cl)c2C2CC2)-c2nccc(Nc3ccncc3)n2)c(F)c1
PDB
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Bayer Pharma Aktiengesellschaft

US Patent




US Patent US9765058 (2017)


BindingDB Entry DOI: 10.7270/Q2JQ1347
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379042
PNG
(Preparation of 2-({2-[1-(4-ethoxy-2,6-difluorobenz...)
PDB
MMDB

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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379106
PNG
(Preparation of 2-[1-(4-ethoxy-2,6-difluorobenzyl)-...)
PDB
MMDB

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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379004
PNG
(US10266548, Example 4-18 | US10266548, Example 4-2...)
PDB
MMDB

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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379004
PNG
(US10266548, Example 4-18 | US10266548, Example 4-2...)
PDB
MMDB

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Johnson & Johnson Pharmaceutical





J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
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))
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))
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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US Patent
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
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Ligand-Target Pair
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