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Compile Data Set for Download or QSAR

Found 681 hits with Last Name = 'gnoth' and Initial = 'mj'   
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
mknk1 high atp


(Homo sapiens (Human))
BDBM333401
PNG
(2-{[3-(Furo[2,3-c]pyridin-2-yl)imidazo[1,2-b]pyrid...)
Show SMILES CN(CC(O)c1ccccc1)c1ccc2ncc(-c3cc4ccncc4o3)n2n1 |w:3.3|
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n/an/a 1n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US9730929 (2017)


BindingDB Entry DOI: 10.7270/Q28S4S1H
More data for this
Ligand-Target Pair
mknk1 high atp


(Homo sapiens (Human))
BDBM333402
PNG
(2-{[3-(Furo[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyrid...)
Show SMILES CN(CC(O)c1ccccc1)c1ccc2ncc(-c3cc4cnccc4o3)n2n1 |w:3.3|
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n/an/a 1n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US9730929 (2017)


BindingDB Entry DOI: 10.7270/Q28S4S1H
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM223024
PNG
(US9320737, II.1)
Show SMILES COc1cccc2oc(cc12)-c1cnc2ccc(OCCCS(C)=O)nn12 |w:22.24|
Show InChI InChI=1/C19H19N3O4S/c1-24-15-5-3-6-16-13(15)11-17(26-16)14-12-20-18-7-8-19(21-22(14)18)25-9-4-10-27(2)23/h3,5-8,11-12H,4,9-10H2,1-2H3
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n/an/a 2n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 mL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM223030
PNG
(US9320737, III.3)
Show SMILES COc1cccc2oc(cc12)-c1cnc2ccc(OCCCS(C)(=O)=O)nn12
Show InChI InChI=1S/C19H19N3O5S/c1-25-15-5-3-6-16-13(15)11-17(27-16)14-12-20-18-7-8-19(21-22(14)18)26-9-4-10-28(2,23)24/h3,5-8,11-12H,4,9-10H2,1-2H3
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n/an/a 2n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 mL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM223043
PNG
(US9320737, IV.2)
Show SMILES COc1cccc2oc(cc12)-c1cnc2ccc(OCCCS(C)(=N)=O)nn12 |w:22.24|
Show InChI InChI=1/C19H20N4O4S/c1-25-15-5-3-6-16-13(15)11-17(27-16)14-12-21-18-7-8-19(22-23(14)18)26-9-4-10-28(2,20)24/h3,5-8,11-12,20H,4,9-10H2,1-2H3
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n/an/a 2n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 mL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
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
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM170515
PNG
(US9669034, 90 (rac)-4-{4-Fluoro-2-[(3-fluorobenzyl...)
Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cccc(F)c2)c1
Show InChI InChI=1/C24H21F2N5O2S/c1-34(27,32)14-17-5-3-7-20(11-17)30-24-29-15-28-23(31-24)21-9-8-19(26)12-22(21)33-13-16-4-2-6-18(25)10-16/h2-12,15,27H,13-14H2,1H3,(H,28,29,30,31)
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n/an/a 2n/an/an/an/a8.022



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9669034 (2017)


BindingDB Entry DOI: 10.7270/Q22Z13PG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM175041
PNG
(US9669034, 99 (rac)-4-{4-Fluoro-2-[(2-methylprop-2...)
Show SMILES CC(=C)COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1
Show InChI InChI=1/C21H22FN5O2S/c1-14(2)11-29-19-10-16(22)7-8-18(19)20-24-13-25-21(27-20)26-17-6-4-5-15(9-17)12-30(3,23)28/h4-10,13,23H,1,11-12H2,2-3H3,(H,24,25,26,27)
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n/an/a 2n/an/an/an/a8.022



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9669034 (2017)


BindingDB Entry DOI: 10.7270/Q22Z13PG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM176781
PNG
(US9669034, 104 (rac)-4-{4-Fluoro-2-[(3,4,5-trifluo...)
Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cc(F)c(F)c(F)c2)c1
Show InChI InChI=1/C24H19F4N5O2S/c1-36(29,34)12-14-3-2-4-17(7-14)32-24-31-13-30-23(33-24)18-6-5-16(25)10-21(18)35-11-15-8-19(26)22(28)20(27)9-15/h2-10,13,29H,11-12H2,1H3,(H,30,31,32,33)
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n/an/a 2n/an/an/an/a8.022



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9669034 (2017)


BindingDB Entry DOI: 10.7270/Q22Z13PG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM179848
PNG
(US9669034, 113 (rac)-[Cyclopropyl(3-{[4-(4-fluoro-...)
Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(=O)(=NC#N)C3CC3)c2)n1
Show InChI InChI=1/C21H19FN6O2S/c1-30-19-10-15(22)5-8-18(19)20-24-13-25-21(28-20)27-16-4-2-3-14(9-16)11-31(29,26-12-23)17-6-7-17/h2-5,8-10,13,17H,6-7,11H2,1H3,(H,24,25,27,28)
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n/an/a 2n/an/an/an/a8.022



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9669034 (2017)


BindingDB Entry DOI: 10.7270/Q22Z13PG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM170016
PNG
(US9669034, 82 (rac)-4-{4-Fluoro-2-[(2-fluoropyridi...)
Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccnc(F)c2)c1
Show InChI InChI=1/C23H20F2N6O2S/c1-34(26,32)13-16-3-2-4-18(9-16)30-23-29-14-28-22(31-23)19-6-5-17(24)11-20(19)33-12-15-7-8-27-21(25)10-15/h2-11,14,26H,12-13H2,1H3,(H,28,29,30,31)
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n/an/a 2n/an/an/an/a8.022



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9669034 (2017)


BindingDB Entry DOI: 10.7270/Q22Z13PG
More data for this
Ligand-Target Pair
mknk1 high atp


(Homo sapiens (Human))
BDBM333382
PNG
(3-[(1R)-1-{[3-(1- Benzofuran-2- yl)imidazo[1,2-b]p...)
Show SMILES CN(C[C@H](O)c1cccc(O)c1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US9730929 (2017)


BindingDB Entry DOI: 10.7270/Q28S4S1H
More data for this
Ligand-Target Pair
mknk1 high atp


(Homo sapiens (Human))
BDBM333390
PNG
(2-{[3-(1-Benzofuran-2-yl)imidazo[1,2-b]pyridazin-6...)
Show SMILES CN(CC(O)c1cccnc1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1 |w:3.3|
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n/an/a 2n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US9730929 (2017)


BindingDB Entry DOI: 10.7270/Q28S4S1H
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...)
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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...)
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n/an/a 2.60n/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))
BDBM378932
PNG
(2-[1-(6-chloro-2- fluoro-3- methoxybenzyl)- 1H-ind...)
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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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM97722
PNG
(US8476267, 19)
Show SMILES Nc1nc(NC2CCCN(C2)c2nc(cn3nc(cc23)C(O)=O)-c2ccc(Cl)cc2Cl)sc1C#N
Show InChI InChI=1S/C22H18Cl2N8O2S/c23-11-3-4-13(14(24)6-11)16-10-32-17(7-15(30-32)21(33)34)20(28-16)31-5-1-2-12(9-31)27-22-29-19(26)18(8-25)35-22/h3-4,6-7,10,12H,1-2,5,9,26H2,(H,27,29)(H,33,34)
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n/an/a 3n/an/an/an/an/a30



Bayer Intellectual Property GmbH

US Patent


Assay Description
The inhibitory activity of active substance is determined in a biochemical assay.


US Patent US8476267 (2013)


BindingDB Entry DOI: 10.7270/Q20863X0
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM168387
PNG
(US9669034, 6 (rac)-4-[2-(Benzyloxy)-4-fluorophenyl...)
Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccccc2)c1
Show InChI InChI=1/C24H22FN5O2S/c1-33(26,31)15-18-8-5-9-20(12-18)29-24-28-16-27-23(30-24)21-11-10-19(25)13-22(21)32-14-17-6-3-2-4-7-17/h2-13,16,26H,14-15H2,1H3,(H,27,28,29,30)
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n/an/a 3n/an/an/an/a8.022



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9669034 (2017)


BindingDB Entry DOI: 10.7270/Q22Z13PG
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
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM170016
PNG
(US9669034, 82 (rac)-4-{4-Fluoro-2-[(2-fluoropyridi...)
Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccnc(F)c2)c1
Show InChI InChI=1/C23H20F2N6O2S/c1-34(26,32)13-16-3-2-4-18(9-16)30-23-29-14-28-22(31-23)19-6-5-17(24)11-20(19)33-12-15-7-8-27-21(25)10-15/h2-11,14,26H,12-13H2,1H3,(H,28,29,30,31)
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n/an/a 3n/an/an/an/a8.022



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9669034 (2017)


BindingDB Entry DOI: 10.7270/Q22Z13PG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM170507
PNG
(US9669034, 87 (rac)-4-{2-[(4-Chlorobenzyl)oxy]-4-f...)
Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccc(Cl)cc2)c1
Show InChI InChI=1/C24H21ClFN5O2S/c1-34(27,32)14-17-3-2-4-20(11-17)30-24-29-15-28-23(31-24)21-10-9-19(26)12-22(21)33-13-16-5-7-18(25)8-6-16/h2-12,15,27H,13-14H2,1H3,(H,28,29,30,31)
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n/an/a 3n/an/an/an/a8.022



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9669034 (2017)


BindingDB Entry DOI: 10.7270/Q22Z13PG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM170520
PNG
(US9669034, 94 (rac)-4-{2-[(3-Chloro-5-fluorobenzyl...)
Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cc(F)cc(Cl)c2)c1
Show InChI InChI=1/C24H20ClF2N5O2S/c1-35(28,33)13-15-3-2-4-20(9-15)31-24-30-14-29-23(32-24)21-6-5-18(26)11-22(21)34-12-16-7-17(25)10-19(27)8-16/h2-11,14,28H,12-13H2,1H3,(H,29,30,31,32)
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n/an/a 3n/an/an/an/a8.022



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9669034 (2017)


BindingDB Entry DOI: 10.7270/Q22Z13PG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM174598
PNG
(US9669034, 96 (rac)-4-{4-Fluoro-2-[(4-fluoro-3-met...)
Show SMILES Cc1cc(COc2cc(F)ccc2-c2ncnc(Nc3cccc(CS(C)(=N)=O)c3)n2)ccc1F
Show InChI InChI=1/C25H23F2N5O2S/c1-16-10-17(6-9-22(16)27)13-34-23-12-19(26)7-8-21(23)24-29-15-30-25(32-24)31-20-5-3-4-18(11-20)14-35(2,28)33/h3-12,15,28H,13-14H2,1-2H3,(H,29,30,31,32)
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n/an/a 3n/an/an/an/a8.022



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9669034 (2017)


BindingDB Entry DOI: 10.7270/Q22Z13PG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM174850
PNG
(US9669034, 97 (rac)-4-{2-[(3-Chloro-4-fluorobenzyl...)
Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccc(F)c(Cl)c2)c1
Show InChI InChI=1/C24H20ClF2N5O2S/c1-35(28,33)13-16-3-2-4-18(9-16)31-24-30-14-29-23(32-24)19-7-6-17(26)11-22(19)34-12-15-5-8-21(27)20(25)10-15/h2-11,14,28H,12-13H2,1H3,(H,29,30,31,32)
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n/an/a 3n/an/an/an/a8.022



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9669034 (2017)


BindingDB Entry DOI: 10.7270/Q22Z13PG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM174971
PNG
(US9669034, 98 (rac)-3-({5-Fluoro-2-[4-({3-[(S-meth...)
Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cccc(c2)C#N)c1
Show InChI InChI=1/C25H21FN6O2S/c1-35(28,33)15-19-6-3-7-21(11-19)31-25-30-16-29-24(32-25)22-9-8-20(26)12-23(22)34-14-18-5-2-4-17(10-18)13-27/h2-12,16,28H,14-15H2,1H3,(H,29,30,31,32)
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n/an/a 3n/an/an/an/a8.022



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9669034 (2017)


BindingDB Entry DOI: 10.7270/Q22Z13PG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM179392
PNG
(US9669034, 105 (rac)-[(2,3-Difluoro-5-{[4-(4-fluor...)
Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cc(F)c(F)c(CS(C)(=O)=NC#N)c2)n1
Show InChI InChI=1/C19H15F3N6O2S/c1-30-16-6-12(20)3-4-14(16)18-24-10-25-19(28-18)27-13-5-11(17(22)15(21)7-13)8-31(2,29)26-9-23/h3-7,10H,8H2,1-2H3,(H,24,25,27,28)
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n/an/a 3n/an/an/an/a8.022



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9669034 (2017)


BindingDB Entry DOI: 10.7270/Q22Z13PG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM179686
PNG
(US9669034, 111 (rac)-[(3-{[4-(4-Fluoro-2-methoxyph...)
Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cc(C)cc(CS(C)(=O)=NC#N)c2)n1
Show InChI InChI=1/C20H19FN6O2S/c1-13-6-14(10-30(3,28)25-11-22)8-16(7-13)26-20-24-12-23-19(27-20)17-5-4-15(21)9-18(17)29-2/h4-9,12H,10H2,1-3H3,(H,23,24,26,27)
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n/an/a 3n/an/an/an/a8.022



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9669034 (2017)


BindingDB Entry DOI: 10.7270/Q22Z13PG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM169242
PNG
(US9669034, 73 (rac)-4-[2-(But-2-yn-1-yloxy)-4-fluo...)
Show SMILES CC#CCOc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1
Show InChI InChI=1/C21H20FN5O2S/c1-3-4-10-29-19-12-16(22)8-9-18(19)20-24-14-25-21(27-20)26-17-7-5-6-15(11-17)13-30(2,23)28/h5-9,11-12,14,23H,10,13H2,1-2H3,(H,24,25,26,27)
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n/an/a 3n/an/an/an/a8.022



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9669034 (2017)


BindingDB Entry DOI: 10.7270/Q22Z13PG
More data for this
Ligand-Target Pair
mknk1 high atp


(Homo sapiens (Human))
BDBM333403
PNG
(2-{[3-(4-Methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,...)
Show SMILES COc1nccc2oc(cc12)-c1cnc2ccc(nn12)N(C)CC(O)c1ccccc1 |w:23.27|
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US9730929 (2017)


BindingDB Entry DOI: 10.7270/Q28S4S1H
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-...)
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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...)
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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))
BDBM379042
PNG
(Preparation of 2-({2-[1-(4-ethoxy-2,6-difluorobenz...)
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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-...)
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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,...)
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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...)
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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
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM168386
PNG
(US9669034, 5 (rac)-Ethyl{[3-({4-[2-(benzyloxy)-4-f...)
Show SMILES CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccccc2)c1
Show InChI InChI=1/C27H26FN5O4S/c1-3-36-27(34)33-38(2,35)17-20-10-7-11-22(14-20)31-26-30-18-29-25(32-26)23-13-12-21(28)15-24(23)37-16-19-8-5-4-6-9-19/h4-15,18H,3,16-17H2,1-2H3,(H,29,30,31,32)
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n/an/a 4n/an/an/an/a8.022



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9669034 (2017)


BindingDB Entry DOI: 10.7270/Q22Z13PG
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM214639
PNG
(US9284319, 7)
Show SMILES OC[C@@H]1CCN(C1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
Show InChI InChI=1/C19H18N4O2/c24-12-13-7-8-22(11-13)19-6-5-18-20-10-15(23(18)21-19)17-9-14-3-1-2-4-16(14)25-17/h1-6,9-10,13,24H,7-8,11-12H2/t13-/s2
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n/an/a 4n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9284319 (2016)


BindingDB Entry DOI: 10.7270/Q2765D6D
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM223025
PNG
(US9320737, II.2)
Show SMILES CS(=O)CCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |w:1.0|
Show InChI InChI=1/C18H17N3O3S/c1-25(22)10-4-9-23-18-8-7-17-19-12-14(21(17)20-18)16-11-13-5-2-3-6-15(13)24-16/h2-3,5-8,11-12H,4,9-10H2,1H3
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n/an/a 4n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 mL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM223045
PNG
(US9320737, IV.4)
Show SMILES CS(=N)(=O)CCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |w:1.0|
Show InChI InChI=1/C18H18N4O3S/c1-26(19,23)10-4-9-24-18-8-7-17-20-12-14(22(17)21-18)16-11-13-5-2-3-6-15(13)25-16/h2-3,5-8,11-12,19H,4,9-10H2,1H3
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n/an/a 4n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 mL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
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
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM170513
PNG
(US9669034, 89 (rac)-4-(4-Fluoro-2-{[3-fluoro-5-(tr...)
Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cc(F)cc(c2)C(F)(F)F)c1
Show InChI InChI=1/C25H20F5N5O2S/c1-38(31,36)13-15-3-2-4-20(9-15)34-24-33-14-32-23(35-24)21-6-5-18(26)11-22(21)37-12-16-7-17(25(28,29)30)10-19(27)8-16/h2-11,14,31H,12-13H2,1H3,(H,32,33,34,35)
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n/an/a 4n/an/an/an/a8.022



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9669034 (2017)


BindingDB Entry DOI: 10.7270/Q22Z13PG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM170518
PNG
(US9669034, 92 (rac)-4-{2-[(3-Chlorobenzyl)oxy]-4-f...)
Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cccc(Cl)c2)c1
Show InChI InChI=1/C24H21ClFN5O2S/c1-34(27,32)14-17-5-3-7-20(11-17)30-24-29-15-28-23(31-24)21-9-8-19(26)12-22(21)33-13-16-4-2-6-18(25)10-16/h2-12,15,27H,13-14H2,1H3,(H,28,29,30,31)
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n/an/a 4n/an/an/an/a8.022



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9669034 (2017)


BindingDB Entry DOI: 10.7270/Q22Z13PG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM175884
PNG
(US9669034, 101 (rac)-4-{4-Fluoro-2-[(2,3,5-trifluo...)
Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cc(F)cc(F)c2F)c1
Show InChI InChI=1/C24H19F4N5O2S/c1-36(29,34)12-14-3-2-4-18(7-14)32-24-31-13-30-23(33-24)19-6-5-16(25)10-21(19)35-11-15-8-17(26)9-20(27)22(15)28/h2-10,13,29H,11-12H2,1H3,(H,30,31,32,33)
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n/an/a 4n/an/an/an/a8.022



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9669034 (2017)


BindingDB Entry DOI: 10.7270/Q22Z13PG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM179656
PNG
(US9669034, 107 (rac)-[Ethyl(3-{[4-(4-fluoro-2-meth...)
Show SMILES CCS(=O)(Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OC)c1)=NC#N
Show InChI InChI=1/C20H19FN6O2S/c1-3-30(28,25-12-22)11-14-5-4-6-16(9-14)26-20-24-13-23-19(27-20)17-8-7-15(21)10-18(17)29-2/h4-10,13H,3,11H2,1-2H3,(H,23,24,26,27)
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n/an/a 4n/an/an/an/a8.022



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9669034 (2017)


BindingDB Entry DOI: 10.7270/Q22Z13PG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM179847
PNG
(US9669034, 112 (rac)-2-({5-Fluoro-2-[4-({3-[(S-met...)
Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCC(=C)CO)c1
Show InChI InChI=1/C21H22FN5O3S/c1-14(10-28)11-30-19-9-16(22)6-7-18(19)20-24-13-25-21(27-20)26-17-5-3-4-15(8-17)12-31(2,23)29/h3-9,13,23,28H,1,10-12H2,2H3,(H,24,25,26,27)
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n/an/a 4n/an/an/an/a8.022



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9669034 (2017)


BindingDB Entry DOI: 10.7270/Q22Z13PG
More data for this
Ligand-Target Pair
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