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61 similar compounds to monomer 116944

Compile data set for download or QSAR
Wt: 426.4
BDBM116919
Wt: 411.4
BDBM116922
Wt: 411.4
BDBM116924
Wt: 454.4
BDBM116930
Wt: 476.3
BDBM116933
Wt: 431.8
BDBM116934
Wt: 422.4
BDBM116943
Wt: 413.4
BDBM116760
Wt: 433.4
BDBM116948
Wt: 468.5
BDBM116950
Wt: 422.4
BDBM116951
Wt: 509.6
BDBM116952
Wt: 499.8
BDBM116954
Wt: 495.5
BDBM116955
Wt: 427.4
BDBM116771
Displayed 1 to 15 (of 61 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 116919,116922,116924,116930,116933,116934,116943,116760,116948,116950,116951,116952,116954,116955,116771   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116760
PNG
(US8637532, 474)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cncnc2)c1
Show InChI InChI=1S/C22H19N7O2/c1-13(28-21-18-7-3-6-17(20(23)30)19(18)26-12-27-21)14-4-2-5-16(8-14)29-22(31)15-9-24-11-25-10-15/h2-13H,1H3,(H2,23,30)(H,29,31)(H,26,27,28)/t13-/m1/s1
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n/an/a 59n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM116955
PNG
(US8637532, 682)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C28H29N7O2/c1-34-12-14-35(15-13-34)22-10-8-20(9-11-22)28(37)33-21-5-2-4-19(16-21)17-30-27-24-7-3-6-23(26(29)36)25(24)31-18-32-27/h2-11,16,18H,12-15,17H2,1H3,(H2,29,36)(H,33,37)(H,30,31,32)
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n/an/a 34n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116950
PNG
(US8637532, 677)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(CN(C)C)cc2)c1
Show InChI InChI=1S/C27H28N6O2/c1-17(31-26-23-9-5-8-22(25(28)34)24(23)29-16-30-26)20-6-4-7-21(14-20)32-27(35)19-12-10-18(11-13-19)15-33(2)3/h4-14,16-17H,15H2,1-3H3,(H2,28,34)(H,32,35)(H,29,30,31)
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n/an/a 550n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116952
PNG
(US8637532, 679)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)CC1
Show InChI InChI=1S/C29H31N7O2/c1-35-12-14-36(15-13-35)18-20-8-10-22(11-9-20)29(38)34-23-5-2-4-21(16-23)17-31-28-25-7-3-6-24(27(30)37)26(25)32-19-33-28/h2-11,16,19H,12-15,17-18H2,1H3,(H2,30,37)(H,34,38)(H,31,32,33)
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n/an/a 120n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM116760
PNG
(US8637532, 474)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cncnc2)c1
Show InChI InChI=1S/C22H19N7O2/c1-13(28-21-18-7-3-6-17(20(23)30)19(18)26-12-27-21)14-4-2-5-16(8-14)29-22(31)15-9-24-11-25-10-15/h2-13H,1H3,(H2,23,30)(H,29,31)(H,26,27,28)/t13-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM116771
PNG
(US8637532, 488)
Show SMILES CNc1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C23H21N7O2/c1-25-19-9-8-15(12-26-19)23(32)30-16-5-2-4-14(10-16)11-27-22-18-7-3-6-17(21(24)31)20(18)28-13-29-22/h2-10,12-13H,11H2,1H3,(H2,24,31)(H,25,26)(H,30,32)(H,27,28,29)
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n/an/a 0.690n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM116919
PNG
(US8637532, 646)
Show SMILES CNc1cccc(c1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H22N6O2/c1-26-17-7-3-6-16(12-17)24(32)30-18-8-2-5-15(11-18)13-27-23-20-10-4-9-19(22(25)31)21(20)28-14-29-23/h2-12,14,26H,13H2,1H3,(H2,25,31)(H,30,32)(H,27,28,29)
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n/an/a 10n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM116922
PNG
(US8637532, 649)
Show SMILES Cc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H21N5O2/c1-15-6-2-3-9-18(15)24(31)29-17-8-4-7-16(12-17)13-26-23-20-11-5-10-19(22(25)30)21(20)27-14-28-23/h2-12,14H,13H2,1H3,(H2,25,30)(H,29,31)(H,26,27,28)
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n/an/a 0.100n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM116924
PNG
(US8637532, 651)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H21N5O2/c1-15-5-2-7-17(11-15)24(31)29-18-8-3-6-16(12-18)13-26-23-20-10-4-9-19(22(25)30)21(20)27-14-28-23/h2-12,14H,13H2,1H3,(H2,25,30)(H,29,31)(H,26,27,28)
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n/an/a 0.170n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM116930
PNG
(US8637532, 657)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H22N6O3/c1-15(32)30-18-10-8-17(9-11-18)25(34)31-19-5-2-4-16(12-19)13-27-24-21-7-3-6-20(23(26)33)22(21)28-14-29-24/h2-12,14H,13H2,1H3,(H2,26,33)(H,30,32)(H,31,34)(H,27,28,29)
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n/an/a 0.650n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM116933
PNG
(US8637532, 660)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(Br)c4)c3)ncnc12
Show InChI InChI=1S/C23H18BrN5O2/c24-16-6-2-5-15(11-16)23(31)29-17-7-1-4-14(10-17)12-26-22-19-9-3-8-18(21(25)30)20(19)27-13-28-22/h1-11,13H,12H2,(H2,25,30)(H,29,31)(H,26,27,28)
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n/an/a 0.540n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM116934
PNG
(US8637532, 661)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(Cl)c4)c3)ncnc12
Show InChI InChI=1S/C23H18ClN5O2/c24-16-6-2-5-15(11-16)23(31)29-17-7-1-4-14(10-17)12-26-22-19-9-3-8-18(21(25)30)20(19)27-13-28-22/h1-11,13H,12H2,(H2,25,30)(H,29,31)(H,26,27,28)
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n/an/a 0.170n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM116943
PNG
(US8637532, 670)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(cc4)C#N)c3)ncnc12
Show InChI InChI=1S/C24H18N6O2/c25-12-15-7-9-17(10-8-15)24(32)30-18-4-1-3-16(11-18)13-27-23-20-6-2-5-19(22(26)31)21(20)28-14-29-23/h1-11,14H,13H2,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 0.630n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM116948
PNG
(US8637532, 675)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4c(F)cccc4F)c3)ncnc12
Show InChI InChI=1S/C23H17F2N5O2/c24-17-8-3-9-18(25)19(17)23(32)30-14-5-1-4-13(10-14)11-27-22-16-7-2-6-15(21(26)31)20(16)28-12-29-22/h1-10,12H,11H2,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 0.310n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM116950
PNG
(US8637532, 677)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(CN(C)C)cc2)c1
Show InChI InChI=1S/C27H28N6O2/c1-17(31-26-23-9-5-8-22(25(28)34)24(23)29-16-30-26)20-6-4-7-21(14-20)32-27(35)19-12-10-18(11-13-19)15-33(2)3/h4-14,16-17H,15H2,1-3H3,(H2,28,34)(H,32,35)(H,29,30,31)
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n/an/a 3.10n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM116951
PNG
(US8637532, 678)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4C#N)c3)ncnc12
Show InChI InChI=1S/C24H18N6O2/c25-12-16-6-1-2-8-18(16)24(32)30-17-7-3-5-15(11-17)13-27-23-20-10-4-9-19(22(26)31)21(20)28-14-29-23/h1-11,14H,13H2,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 7.80n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM116952
PNG
(US8637532, 679)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)CC1
Show InChI InChI=1S/C29H31N7O2/c1-35-12-14-36(15-13-35)18-20-8-10-22(11-9-20)29(38)34-23-5-2-4-21(16-23)17-31-28-25-7-3-6-24(27(30)37)26(25)32-19-33-28/h2-11,16,19H,12-15,17-18H2,1H3,(H2,30,37)(H,34,38)(H,31,32,33)
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n/an/a 7.30n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM116954
PNG
(US8637532, 681)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)c(c4)C(F)(F)F)c3)ncnc12
Show InChI InChI=1S/C24H17ClF3N5O2/c25-19-8-7-14(10-18(19)24(26,27)28)23(35)33-15-4-1-3-13(9-15)11-30-22-17-6-2-5-16(21(29)34)20(17)31-12-32-22/h1-10,12H,11H2,(H2,29,34)(H,33,35)(H,30,31,32)
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n/an/a 0.0800n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM116955
PNG
(US8637532, 682)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C28H29N7O2/c1-34-12-14-35(15-13-34)22-10-8-20(9-11-22)28(37)33-21-5-2-4-19(16-21)17-30-27-24-7-3-6-23(26(29)36)25(24)31-18-32-27/h2-11,16,18H,12-15,17H2,1H3,(H2,29,36)(H,33,37)(H,30,31,32)
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n/an/a 12n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM116771
PNG
(US8637532, 488)
Show SMILES CNc1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C23H21N7O2/c1-25-19-9-8-15(12-26-19)23(32)30-16-5-2-4-14(10-16)11-27-22-18-7-3-6-17(21(24)31)20(18)28-13-29-22/h2-10,12-13H,11H2,1H3,(H2,24,31)(H,25,26)(H,30,32)(H,27,28,29)
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n/an/a 0.260n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM116919
PNG
(US8637532, 646)
Show SMILES CNc1cccc(c1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H22N6O2/c1-26-17-7-3-6-16(12-17)24(32)30-18-8-2-5-15(11-18)13-27-23-20-10-4-9-19(22(25)31)21(20)28-14-29-23/h2-12,14,26H,13H2,1H3,(H2,25,31)(H,30,32)(H,27,28,29)
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n/an/a 15n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM116922
PNG
(US8637532, 649)
Show SMILES Cc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H21N5O2/c1-15-6-2-3-9-18(15)24(31)29-17-8-4-7-16(12-17)13-26-23-20-11-5-10-19(22(25)30)21(20)27-14-28-23/h2-12,14H,13H2,1H3,(H2,25,30)(H,29,31)(H,26,27,28)
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n/an/a 1.20n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM116924
PNG
(US8637532, 651)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H21N5O2/c1-15-5-2-7-17(11-15)24(31)29-18-8-3-6-16(12-18)13-26-23-20-10-4-9-19(22(25)30)21(20)27-14-28-23/h2-12,14H,13H2,1H3,(H2,25,30)(H,29,31)(H,26,27,28)
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n/an/a 0.0610n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM116930
PNG
(US8637532, 657)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H22N6O3/c1-15(32)30-18-10-8-17(9-11-18)25(34)31-19-5-2-4-16(12-19)13-27-24-21-7-3-6-20(23(26)33)22(21)28-14-29-24/h2-12,14H,13H2,1H3,(H2,26,33)(H,30,32)(H,31,34)(H,27,28,29)
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n/an/a 0.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM116933
PNG
(US8637532, 660)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(Br)c4)c3)ncnc12
Show InChI InChI=1S/C23H18BrN5O2/c24-16-6-2-5-15(11-16)23(31)29-17-7-1-4-14(10-17)12-26-22-19-9-3-8-18(21(25)30)20(19)27-13-28-22/h1-11,13H,12H2,(H2,25,30)(H,29,31)(H,26,27,28)
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n/an/a 0.790n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM116934
PNG
(US8637532, 661)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(Cl)c4)c3)ncnc12
Show InChI InChI=1S/C23H18ClN5O2/c24-16-6-2-5-15(11-16)23(31)29-17-7-1-4-14(10-17)12-26-22-19-9-3-8-18(21(25)30)20(19)27-13-28-22/h1-11,13H,12H2,(H2,25,30)(H,29,31)(H,26,27,28)
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n/an/a 0.380n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM116943
PNG
(US8637532, 670)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(cc4)C#N)c3)ncnc12
Show InChI InChI=1S/C24H18N6O2/c25-12-15-7-9-17(10-8-15)24(32)30-18-4-1-3-16(11-18)13-27-23-20-6-2-5-19(22(26)31)21(20)28-14-29-23/h1-11,14H,13H2,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 2.40n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM116948
PNG
(US8637532, 675)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4c(F)cccc4F)c3)ncnc12
Show InChI InChI=1S/C23H17F2N5O2/c24-17-8-3-9-18(25)19(17)23(32)30-14-5-1-4-13(10-14)11-27-22-16-7-2-6-15(21(26)31)20(16)28-12-29-22/h1-10,12H,11H2,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 0.880n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM116950
PNG
(US8637532, 677)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(CN(C)C)cc2)c1
Show InChI InChI=1S/C27H28N6O2/c1-17(31-26-23-9-5-8-22(25(28)34)24(23)29-16-30-26)20-6-4-7-21(14-20)32-27(35)19-12-10-18(11-13-19)15-33(2)3/h4-14,16-17H,15H2,1-3H3,(H2,28,34)(H,32,35)(H,29,30,31)
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n/an/a 0.620n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM116951
PNG
(US8637532, 678)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4C#N)c3)ncnc12
Show InChI InChI=1S/C24H18N6O2/c25-12-16-6-1-2-8-18(16)24(32)30-17-7-3-5-15(11-17)13-27-23-20-10-4-9-19(22(26)31)21(20)28-14-29-23/h1-11,14H,13H2,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 130n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM116952
PNG
(US8637532, 679)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)CC1
Show InChI InChI=1S/C29H31N7O2/c1-35-12-14-36(15-13-35)18-20-8-10-22(11-9-20)29(38)34-23-5-2-4-21(16-23)17-31-28-25-7-3-6-24(27(30)37)26(25)32-19-33-28/h2-11,16,19H,12-15,17-18H2,1H3,(H2,30,37)(H,34,38)(H,31,32,33)
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n/an/a 33n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM116954
PNG
(US8637532, 681)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)c(c4)C(F)(F)F)c3)ncnc12
Show InChI InChI=1S/C24H17ClF3N5O2/c25-19-8-7-14(10-18(19)24(26,27)28)23(35)33-15-4-1-3-13(9-15)11-30-22-17-6-2-5-16(21(29)34)20(17)31-12-32-22/h1-10,12H,11H2,(H2,29,34)(H,33,35)(H,30,31,32)
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n/an/a 0.520n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116771
PNG
(US8637532, 488)
Show SMILES CNc1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C23H21N7O2/c1-25-19-9-8-15(12-26-19)23(32)30-16-5-2-4-14(10-16)11-27-22-18-7-3-6-17(21(24)31)20(18)28-13-29-22/h2-10,12-13H,11H2,1H3,(H2,24,31)(H,25,26)(H,30,32)(H,27,28,29)
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n/an/a 66n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair