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USPatent US8716296

Compile data set for download or QSAR
Found 11 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


(Homo sapiens (Human))
BDBM120943
PNG
(US8716296, 89)
Show SMILES COc1ccc(F)cc1-c1cc(NC(=O)COc2ccc(Cl)cn2)ncn1
Show InChI InChI=1S/C18H14ClFN4O3/c1-26-15-4-3-12(20)6-13(15)14-7-16(23-10-22-14)24-17(25)9-27-18-5-2-11(19)8-21-18/h2-8,10H,9H2,1H3,(H,22,23,24,25)
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US Patent
n/an/a 0.00500n/an/an/an/a7.5n/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)


BindingDB Entry DOI: 10.7270/Q2PN949G
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM120941
PNG
(US8716296, 82)
Show SMILES COc1ccc(F)cc1-c1cc(NC(=O)Cc2cccnc2)ncn1
Show InChI InChI=1S/C18H15FN4O2/c1-25-16-5-4-13(19)8-14(16)15-9-17(22-11-21-15)23-18(24)7-12-3-2-6-20-10-12/h2-6,8-11H,7H2,1H3,(H,21,22,23,24)
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US Patent
n/an/a 0.0150n/an/an/an/a7.5n/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)


BindingDB Entry DOI: 10.7270/Q2PN949G
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM120934
PNG
(US8716296, 2)
Show SMILES COc1ccc(F)cc1-c1cc(NC(=O)C2CCCNC2)ncn1
Show InChI InChI=1S/C17H19FN4O2/c1-24-15-5-4-12(18)7-13(15)14-8-16(21-10-20-14)22-17(23)11-3-2-6-19-9-11/h4-5,7-8,10-11,19H,2-3,6,9H2,1H3,(H,20,21,22,23)
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n/an/a 0.0180n/an/an/an/a7.5n/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)


BindingDB Entry DOI: 10.7270/Q2PN949G
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM120936
PNG
(US8716296, 5 | US8716296, 6)
Show SMILES COc1ccccc1-c1cc(NC(=O)C2CCC(=O)NC2)ncn1
Show InChI InChI=1S/C17H18N4O3/c1-24-14-5-3-2-4-12(14)13-8-15(20-10-19-13)21-17(23)11-6-7-16(22)18-9-11/h2-5,8,10-11H,6-7,9H2,1H3,(H,18,22)(H,19,20,21,23)
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n/an/a 0.0190n/an/an/an/a7.5n/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)


BindingDB Entry DOI: 10.7270/Q2PN949G
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM120942
PNG
(US8716296, 83)
Show SMILES COc1ccc(F)cc1-c1cc(NC(=O)Cc2ccncc2)ncn1
Show InChI InChI=1S/C18H15FN4O2/c1-25-16-3-2-13(19)9-14(16)15-10-17(22-11-21-15)23-18(24)8-12-4-6-20-7-5-12/h2-7,9-11H,8H2,1H3,(H,21,22,23,24)
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US Patent
n/an/a 0.0290n/an/an/an/a7.5n/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)


BindingDB Entry DOI: 10.7270/Q2PN949G
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM120935
PNG
(US8716296, 3)
Show SMILES COc1cccc(F)c1-c1cc(NC(=O)C2CCCNC2)ncn1
Show InChI InChI=1S/C17H19FN4O2/c1-24-14-6-2-5-12(18)16(14)13-8-15(21-10-20-13)22-17(23)11-4-3-7-19-9-11/h2,5-6,8,10-11,19H,3-4,7,9H2,1H3,(H,20,21,22,23)
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n/an/a 0.0390n/an/an/an/a7.5n/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)


BindingDB Entry DOI: 10.7270/Q2PN949G
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM120939
PNG
(US8716296, 52)
Show SMILES COc1ccccc1-c1cc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)ncn1
Show InChI InChI=1S/C20H20N4O4S/c1-13-8-9-14(10-16(13)24-29(3,26)27)20(25)23-19-11-17(21-12-22-19)15-6-4-5-7-18(15)28-2/h4-12,24H,1-3H3,(H,21,22,23,25)
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US Patent
n/an/a 0.116n/an/an/an/a7.5n/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)


BindingDB Entry DOI: 10.7270/Q2PN949G
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM120936
PNG
(US8716296, 5 | US8716296, 6)
Show SMILES COc1ccccc1-c1cc(NC(=O)C2CCC(=O)NC2)ncn1
Show InChI InChI=1S/C17H18N4O3/c1-24-14-5-3-2-4-12(14)13-8-15(20-10-19-13)21-17(23)11-6-7-16(22)18-9-11/h2-5,8,10-11H,6-7,9H2,1H3,(H,18,22)(H,19,20,21,23)
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n/an/a 0.173n/an/an/an/a7.5n/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)


BindingDB Entry DOI: 10.7270/Q2PN949G
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM120940
PNG
(US8716296, 53)
Show SMILES COc1ccccc1-c1cc(NC(=O)c2cccc(NS(C)(=O)=O)c2)ncn1
Show InChI InChI=1S/C19H18N4O4S/c1-27-17-9-4-3-8-15(17)16-11-18(21-12-20-16)22-19(24)13-6-5-7-14(10-13)23-28(2,25)26/h3-12,23H,1-2H3,(H,20,21,22,24)
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n/an/a 1.08n/an/an/an/a7.5n/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)


BindingDB Entry DOI: 10.7270/Q2PN949G
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM120938
PNG
(US8716296, 51)
Show SMILES COc1ccccc1-c1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)ncn1
Show InChI InChI=1S/C19H18N4O4S/c1-27-17-6-4-3-5-15(17)16-11-18(21-12-20-16)22-19(24)13-7-9-14(10-8-13)23-28(2,25)26/h3-12,23H,1-2H3,(H,20,21,22,24)
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n/an/a 1.25n/an/an/an/a7.5n/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)


BindingDB Entry DOI: 10.7270/Q2PN949G
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM120933
PNG
(US8716296, 1)
Show SMILES COc1ccccc1-c1cc(ncn1)N(C)C(=O)[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C18H22N4O2/c1-22(18(23)13-6-5-9-19-11-13)17-10-15(20-12-21-17)14-7-3-4-8-16(14)24-2/h3-4,7-8,10,12-13,19H,5-6,9,11H2,1-2H3/t13-/m1/s1
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n/an/a 10n/an/an/an/a7.5n/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)


BindingDB Entry DOI: 10.7270/Q2PN949G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%