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Compile Data Set for Download or QSAR

Found 987 hits with Last Name = 'scholz' and Initial = 'a'   
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
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180827
PNG
(US9133171, 32)
Show SMILES COc1cc(CS(C)(=O)=NC#N)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
Show InChI InChI=1S/C21H19F2N5O3S/c1-30-16-7-13(11-32(3,29)26-12-24)6-15(9-16)27-21-25-10-18(23)20(28-21)17-5-4-14(22)8-19(17)31-2/h4-10H,11H2,1-3H3,(H,25,27,28)
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n/an/a 1n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
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
Show InChI InChI=1S/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
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM187124
PNG
(US9670161, 5 N-{6-(Difluoromethyl)-4-[(methylsulfo...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)F)ncc1F
Show InChI InChI=1S/C20H17F4N3O3S/c1-30-17-7-12(21)3-4-13(17)14-8-18(25-9-15(14)22)27-19-6-11(10-31(2,28)29)5-16(26-19)20(23)24/h3-9,20H,10H2,1-2H3,(H,25,26,27)
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n/an/a 1n/an/an/an/a8.0n/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9670161 (2017)


BindingDB Entry DOI: 10.7270/Q29G5K05
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
Show InChI InChI=1S/C21H20FN5O2S2/c1-11-7-26-21(31-11)13-3-2-12(6-14(13)22)8-24-19-20-25-9-15(27(20)5-4-23-19)18-17(29)16(28)10-30-18/h2-7,9,16-18,28-29H,8,10H2,1H3,(H,23,24)/t16-,17-,18+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



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 US9730929 (2017)

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
Show InChI InChI=1S/C20H19FN6O3S/c1-10-25-26-20(30-10)12-3-2-11(6-13(12)21)7-23-18-19-24-8-14(27(19)5-4-22-18)17-16(29)15(28)9-31-17/h2-6,8,15-17,28-29H,7,9H2,1H3,(H,22,23)/t15-,16-,17+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



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 US9730929 (2017)

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)


Article DOI: 10.1016/j.bmcl.2015.11.004
BindingDB Entry DOI: 10.7270/Q26M38NN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180836
PNG
(US9133171, 41)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=N)=O)cc(c2)C(F)(F)F)ncc1F
Show InChI InChI=1S/C20H17F5N4O2S/c1-31-17-8-13(21)3-4-15(17)18-16(22)9-27-19(29-18)28-14-6-11(10-32(2,26)30)5-12(7-14)20(23,24)25/h3-9,26H,10H2,1-2H3,(H,27,28,29)
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n/an/a 2n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180837
PNG
(US9133171, 42)
Show SMILES CCS(=O)(Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1)=NC#N
Show InChI InChI=1S/C21H18F3N5O2S/c1-3-32(30,27-12-25)11-13-6-15(23)8-16(7-13)28-21-26-10-18(24)20(29-21)17-5-4-14(22)9-19(17)31-2/h4-10H,3,11H2,1-2H3,(H,26,28,29)
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n/an/a 2n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180843
PNG
(US9133171, 48)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cccc(CS(=O)(=NC#N)C3CC3)c2)ncc1F
Show InChI InChI=1S/C22H19F2N5O2S/c1-31-20-10-15(23)5-8-18(20)21-19(24)11-26-22(29-21)28-16-4-2-3-14(9-16)12-32(30,27-13-25)17-6-7-17/h2-5,8-11,17H,6-7,12H2,1H3,(H,26,28,29)
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n/an/a 2n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180815
PNG
(US9133171, 20)
Show SMILES CCS(=O)(Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1)=NC#N
Show InChI InChI=1S/C21H19F2N5O2S/c1-3-31(29,26-13-24)12-14-5-4-6-16(9-14)27-21-25-11-18(23)20(28-21)17-8-7-15(22)10-19(17)30-2/h4-11H,3,12H2,1-2H3,(H,25,27,28)
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n/an/a 2n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180819
PNG
(US9133171, 24)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(F)c(F)c(CS(C)(=O)=NC#N)c2)ncc1F
Show InChI InChI=1S/C20H15F4N5O2S/c1-31-17-6-12(21)3-4-14(17)19-16(23)8-26-20(29-19)28-13-5-11(18(24)15(22)7-13)9-32(2,30)27-10-25/h3-8H,9H2,1-2H3,(H,26,28,29)
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n/an/a 2n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180824
PNG
(US9133171, 29 | US9133171, 30 | US9133171, 31)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=N)=O)c2)ncc1F
Show InChI InChI=1S/C19H17BrF2N4O2S/c1-28-17-8-13(21)3-4-15(17)18-16(22)9-24-19(26-18)25-14-6-11(5-12(20)7-14)10-29(2,23)27/h3-9,23H,10H2,1-2H3,(H,24,25,26)
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n/an/a 2n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180799
PNG
(US9133171, 13 | US9133171, 14 | US9133171, 4)
Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OCc2ccccc2)c1
Show InChI InChI=1S/C25H22F2N4O2S/c1-34(28,32)16-18-8-5-9-20(12-18)30-25-29-14-22(27)24(31-25)21-11-10-19(26)13-23(21)33-15-17-6-3-2-4-7-17/h2-14,28H,15-16H2,1H3,(H,29,30,31)
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n/an/a 2n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180823
PNG
(US9133171, 28)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=O)=NC#N)c2)ncc1F
Show InChI InChI=1S/C20H16BrF2N5O2S/c1-30-18-8-14(22)3-4-16(18)19-17(23)9-25-20(28-19)27-15-6-12(5-13(21)7-15)10-31(2,29)26-11-24/h3-9H,10H2,1-2H3,(H,25,27,28)
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n/an/a 2n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180824
PNG
(US9133171, 29 | US9133171, 30 | US9133171, 31)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=N)=O)c2)ncc1F
Show InChI InChI=1S/C19H17BrF2N4O2S/c1-28-17-8-13(21)3-4-15(17)18-16(22)9-24-19(26-18)25-14-6-11(5-12(20)7-14)10-29(2,23)27/h3-9,23H,10H2,1-2H3,(H,24,25,26)
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n/an/a 2n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180824
PNG
(US9133171, 29 | US9133171, 30 | US9133171, 31)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=N)=O)c2)ncc1F
Show InChI InChI=1S/C19H17BrF2N4O2S/c1-28-17-8-13(21)3-4-15(17)18-16(22)9-24-19(26-18)25-14-6-11(5-12(20)7-14)10-29(2,23)27/h3-9,23H,10H2,1-2H3,(H,24,25,26)
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n/an/a 2n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180851
PNG
(US9133171, 56)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Cl)cc(CS(C)(=O)=NC#N)c2)ncc1F
Show InChI InChI=1S/C20H16ClF2N5O2S/c1-30-18-8-14(22)3-4-16(18)19-17(23)9-25-20(28-19)27-15-6-12(5-13(21)7-15)10-31(2,29)26-11-24/h3-9H,10H2,1-2H3,(H,25,27,28)
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n/an/a 2n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180853
PNG
(US9133171, 58)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(C)cc(CS(C)(=O)=NC#N)c2)ncc1F
Show InChI InChI=1S/C21H19F2N5O2S/c1-13-6-14(11-31(3,29)26-12-24)8-16(7-13)27-21-25-10-18(23)20(28-21)17-5-4-15(22)9-19(17)30-2/h4-10H,11H2,1-3H3,(H,25,27,28)
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n/an/a 2n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
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
Show InChI InChI=1S/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
Show InChI InChI=1S/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
Show InChI InChI=1S/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=1S/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=1S/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=1S/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=1S/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))
BDBM187120
PNG
(US9670161, 1 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)ccn2)ncc1F
Show InChI InChI=1S/C19H17F2N3O3S/c1-27-17-8-13(20)3-4-14(17)15-9-19(23-10-16(15)21)24-18-7-12(5-6-22-18)11-28(2,25)26/h3-10H,11H2,1-2H3,(H,22,23,24)
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n/an/a 2n/an/an/an/a8.0n/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9670161 (2017)


BindingDB Entry DOI: 10.7270/Q29G5K05
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM187120
PNG
(US9670161, 1 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)ccn2)ncc1F
Show InChI InChI=1S/C19H17F2N3O3S/c1-27-17-8-13(20)3-4-14(17)15-9-19(23-10-16(15)21)24-18-7-12(5-6-22-18)11-28(2,25)26/h3-10H,11H2,1-2H3,(H,22,23,24)
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n/an/a 2n/an/an/an/a8.0n/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9670161 (2017)


BindingDB Entry DOI: 10.7270/Q29G5K05
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=1S/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
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM187121
PNG
(US9670161, 2 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(C)n2)ncc1F
Show InChI InChI=1S/C20H19F2N3O3S/c1-12-6-13(11-29(3,26)27)7-20(24-12)25-19-9-16(17(22)10-23-19)15-5-4-14(21)8-18(15)28-2/h4-10H,11H2,1-3H3,(H,23,24,25)
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n/an/a 2n/an/an/an/a8.0n/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9670161 (2017)


BindingDB Entry DOI: 10.7270/Q29G5K05
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM187122
PNG
(US9670161, 3 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(F)n2)ncc1F
Show InChI InChI=1S/C19H16F3N3O3S/c1-28-16-7-12(20)3-4-13(16)14-8-18(23-9-15(14)21)25-19-6-11(5-17(22)24-19)10-29(2,26)27/h3-9H,10H2,1-2H3,(H,23,24,25)
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n/an/a 2n/an/an/an/a8.0n/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9670161 (2017)


BindingDB Entry DOI: 10.7270/Q29G5K05
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM187124
PNG
(US9670161, 5 N-{6-(Difluoromethyl)-4-[(methylsulfo...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)F)ncc1F
Show InChI InChI=1S/C20H17F4N3O3S/c1-30-17-7-12(21)3-4-13(17)14-8-18(25-9-15(14)22)27-19-6-11(10-31(2,28)29)5-16(26-19)20(23)24/h3-9,20H,10H2,1-2H3,(H,25,26,27)
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n/an/a 2n/an/an/an/a8.0n/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9670161 (2017)


BindingDB Entry DOI: 10.7270/Q29G5K05
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
Show InChI InChI=1S/C18H18F2N4O2S/c19-11-2-1-10(12(20)7-11)3-4-21-17-18-23-8-13(24(18)6-5-22-17)16-15(26)14(25)9-27-16/h1-2,5-8,14-16,25-26H,3-4,9H2,(H,21,22)/t14-,15-,16+/m1/s1
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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 US9730929 (2017)

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
Show InChI InChI=1S/C17H16ClFN4O2S/c18-10-3-9(4-11(19)5-10)6-21-16-17-22-7-12(23(17)2-1-20-16)15-14(25)13(24)8-26-15/h1-5,7,13-15,24-25H,6,8H2,(H,20,21)/t13-,14-,15+/m1/s1
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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 US9730929 (2017)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180828
PNG
(US9133171, 33 | US9133171, 34 | US9133171, 35)
Show SMILES COc1cc(CS(C)(=N)=O)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
Show InChI InChI=1S/C20H20F2N4O3S/c1-28-15-7-12(11-30(3,23)27)6-14(9-15)25-20-24-10-17(22)19(26-20)16-5-4-13(21)8-18(16)29-2/h4-10,23H,11H2,1-3H3,(H,24,25,26)
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n/an/a 3n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180853
PNG
(US9133171, 58)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(C)cc(CS(C)(=O)=NC#N)c2)ncc1F
Show InChI InChI=1S/C21H19F2N5O2S/c1-13-6-14(11-31(3,29)26-12-24)8-16(7-13)27-21-25-10-18(23)20(28-21)17-5-4-15(22)9-19(17)30-2/h4-10H,11H2,1-3H3,(H,25,27,28)
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Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180856
PNG
(US9133171, 61 | US9133171, 62 | US9133171, 63)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=N)=O)cc(c2)S(F)(F)(F)(F)F)ncc1F
Show InChI InChI=1S/C19H17F7N4O2S2/c1-32-17-7-12(20)3-4-15(17)18-16(21)9-28-19(30-18)29-13-5-11(10-33(2,27)31)6-14(8-13)34(22,23,24,25)26/h3-9,27H,10H2,1-2H3,(H,28,29,30)
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Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180859
PNG
(US9133171, 64)
Show SMILES COCCOC(=O)N=S(C)(=O)Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
Show InChI InChI=1S/C23H23F3N4O5S/c1-33-6-7-35-23(31)30-36(3,32)13-14-8-16(25)10-17(9-14)28-22-27-12-19(26)21(29-22)18-5-4-15(24)11-20(18)34-2/h4-5,8-12H,6-7,13H2,1-3H3,(H,27,28,29)
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Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180812
PNG
(US9133171, 17 | US9133171, 18 | US9133171, 19)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cccc(CS(C)(=O)=NC#N)c2)ncc1F
Show InChI InChI=1S/C20H17F2N5O2S/c1-29-18-9-14(21)6-7-16(18)19-17(22)10-24-20(27-19)26-15-5-3-4-13(8-15)11-30(2,28)25-12-23/h3-10H,11H2,1-2H3,(H,24,26,27)
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Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180824
PNG
(US9133171, 29 | US9133171, 30 | US9133171, 31)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=N)=O)c2)ncc1F
Show InChI InChI=1S/C19H17BrF2N4O2S/c1-28-17-8-13(21)3-4-15(17)18-16(22)9-24-19(26-18)25-14-6-11(5-12(20)7-14)10-29(2,23)27/h3-9,23H,10H2,1-2H3,(H,24,25,26)
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n/an/a 3n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180819
PNG
(US9133171, 24)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(F)c(F)c(CS(C)(=O)=NC#N)c2)ncc1F
Show InChI InChI=1S/C20H15F4N5O2S/c1-31-17-6-12(21)3-4-14(17)19-16(23)8-26-20(29-19)28-13-5-11(18(24)15(22)7-13)9-32(2,30)27-10-25/h3-8H,9H2,1-2H3,(H,26,28,29)
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n/an/a 3n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180824
PNG
(US9133171, 29 | US9133171, 30 | US9133171, 31)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=N)=O)c2)ncc1F
Show InChI InChI=1S/C19H17BrF2N4O2S/c1-28-17-8-13(21)3-4-15(17)18-16(22)9-24-19(26-18)25-14-6-11(5-12(20)7-14)10-29(2,23)27/h3-9,23H,10H2,1-2H3,(H,24,25,26)
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n/an/a 3n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180836
PNG
(US9133171, 41)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=N)=O)cc(c2)C(F)(F)F)ncc1F
Show InChI InChI=1S/C20H17F5N4O2S/c1-31-17-8-13(21)3-4-15(17)18-16(22)9-27-19(29-18)28-14-6-11(10-32(2,26)30)5-12(7-14)20(23,24)25/h3-9,26H,10H2,1-2H3,(H,27,28,29)
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n/an/a 3n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180856
PNG
(US9133171, 61 | US9133171, 62 | US9133171, 63)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=N)=O)cc(c2)S(F)(F)(F)(F)F)ncc1F
Show InChI InChI=1S/C19H17F7N4O2S2/c1-32-17-7-12(20)3-4-15(17)18-16(21)9-28-19(30-18)29-13-5-11(10-33(2,27)31)6-14(8-13)34(22,23,24,25)26/h3-9,27H,10H2,1-2H3,(H,28,29,30)
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n/an/a 3n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180859
PNG
(US9133171, 64)
Show SMILES COCCOC(=O)N=S(C)(=O)Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
Show InChI InChI=1S/C23H23F3N4O5S/c1-33-6-7-35-23(31)30-36(3,32)13-14-8-16(25)10-17(9-14)28-22-27-12-19(26)21(29-22)18-5-4-15(24)11-20(18)34-2/h4-5,8-12H,6-7,13H2,1-3H3,(H,27,28,29)
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n/an/a 3n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
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=1S/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
Show InChI InChI=1S/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
Show InChI InChI=1S/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))
BDBM258868
PNG
(US9499492, 20)
Show SMILES COc1cc(CS(C)(=O)=NC#N)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
Show InChI InChI=1S/C20H16F3N5O2S/c1-30-15-6-12(10-31(2,29)26-11-24)5-14(8-15)27-20-25-9-18(23)19(28-20)16-4-3-13(21)7-17(16)22/h3-9H,10H2,1-2H3,(H,25,27,28)
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n/an/a 3n/an/an/an/a8.022



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 1a: Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were pu...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
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