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Patent code US9670161

Compile Data Set for Download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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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...


Citation and Details
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/an/an/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...


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
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/an/an/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...


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM187123
PNG
(US9670161, 4 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)(F)F)ncc1F
Show InChI InChI=1S/C20H16F5N3O3S/c1-31-16-7-12(21)3-4-13(16)14-8-18(26-9-15(14)22)28-19-6-11(10-32(2,29)30)5-17(27-19)20(23,24)25/h3-9H,10H2,1-2H3,(H,26,27,28)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM187123
PNG
(US9670161, 4 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)(F)F)ncc1F
Show InChI InChI=1S/C20H16F5N3O3S/c1-31-16-7-12(21)3-4-13(16)14-8-18(26-9-15(14)22)28-19-6-11(10-32(2,29)30)5-17(27-19)20(23,24)25/h3-9H,10H2,1-2H3,(H,26,27,28)
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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...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(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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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM187123
PNG
(US9670161, 4 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)(F)F)ncc1F
Show InChI InChI=1S/C20H16F5N3O3S/c1-31-16-7-12(21)3-4-13(16)14-8-18(26-9-15(14)22)28-19-6-11(10-32(2,29)30)5-17(27-19)20(23,24)25/h3-9H,10H2,1-2H3,(H,26,27,28)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(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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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(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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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(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 103n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM187123
PNG
(US9670161, 4 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)(F)F)ncc1F
Show InChI InChI=1S/C20H16F5N3O3S/c1-31-16-7-12(21)3-4-13(16)14-8-18(26-9-15(14)22)28-19-6-11(10-32(2,29)30)5-17(27-19)20(23,24)25/h3-9H,10H2,1-2H3,(H,26,27,28)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(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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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(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 625n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(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 787n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(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 2.18E+3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...


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