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12 similar compounds to monomer 116814

Compile data set for download or QSAR
Wt: 420.4
BDBM116904
Wt: 398.4
BDBM116915
Wt: 477.4
BDBM116957
Wt: 452.4
BDBM116804
Wt: 370.4
BDBM116813
Wt: 395.4
BDBM116823
Wt: 384.4
BDBM116843
Wt: 409.4
BDBM116848
Wt: 452.4
BDBM116863
Wt: 409.4
BDBM116868
Wt: 434.4
BDBM116876
Wt: 438.4
BDBM116877

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 116904,116915,116957,116804,116813,116823,116843,116848,116863,116868,116876,116877   
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))
BDBM116804
PNG
(US8637532, 526)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Nc2cc(ccn2)C(F)(F)F)c1
Show InChI InChI=1S/C23H19F3N6O/c1-13(31-22-18-7-3-6-17(21(27)33)20(18)29-12-30-22)14-4-2-5-16(10-14)32-19-11-15(8-9-28-19)23(24,25)26/h2-13H,1H3,(H2,27,33)(H,28,32)(H,29,30,31)
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n/an/a 100n/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))
BDBM116957
PNG
(US8637532, 684)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(Nc4nc5ccc(cc5[nH]4)C(F)(F)F)c3)ncnc12
Show InChI InChI=1S/C24H18F3N7O/c25-24(26,27)14-7-8-18-19(10-14)34-23(33-18)32-15-4-1-3-13(9-15)11-29-22-17-6-2-5-16(21(28)35)20(17)30-12-31-22/h1-10,12H,11H2,(H2,28,35)(H,29,30,31)(H2,32,33,34)
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n/an/a 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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116848
PNG
(US8637532, 574)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(Nc4ccc(CC#N)cn4)c3)ncnc12
Show InChI InChI=1S/C23H19N7O/c24-10-9-15-7-8-20(26-12-15)30-17-4-1-3-16(11-17)13-27-23-19-6-2-5-18(22(25)31)21(19)28-14-29-23/h1-8,11-12,14H,9,13H2,(H2,25,31)(H,26,30)(H,27,28,29)
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n/an/a 280n/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))
BDBM116863
PNG
(US8637532, 589)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Nc2ccc(cn2)C(F)(F)F)c1
Show InChI InChI=1S/C23H19F3N6O/c1-13(31-22-18-7-3-6-17(21(27)33)20(18)29-12-30-22)14-4-2-5-16(10-14)32-19-9-8-15(11-28-19)23(24,25)26/h2-13H,1H3,(H2,27,33)(H,28,32)(H,29,30,31)/t13-/m1/s1
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n/an/a 350n/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))
BDBM116868
PNG
(US8637532, 594)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(Nc4cc(CC#N)ccn4)c3)ncnc12
Show InChI InChI=1S/C23H19N7O/c24-9-7-15-8-10-26-20(12-15)30-17-4-1-3-16(11-17)13-27-23-19-6-2-5-18(22(25)31)21(19)28-14-29-23/h1-6,8,10-12,14H,7,13H2,(H2,25,31)(H,26,30)(H,27,28,29)
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n/an/a 660n/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))
BDBM116904
PNG
(US8637532, 630)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(Nc4ccc5ccccc5n4)c3)ncnc12
Show InChI InChI=1S/C25H20N6O/c26-24(32)19-8-4-9-20-23(19)28-15-29-25(20)27-14-16-5-3-7-18(13-16)30-22-12-11-17-6-1-2-10-21(17)31-22/h1-13,15H,14H2,(H2,26,32)(H,30,31)(H,27,28,29)
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n/an/a 1.00E+3n/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))
BDBM116804
PNG
(US8637532, 526)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Nc2cc(ccn2)C(F)(F)F)c1
Show InChI InChI=1S/C23H19F3N6O/c1-13(31-22-18-7-3-6-17(21(27)33)20(18)29-12-30-22)14-4-2-5-16(10-14)32-19-11-15(8-9-28-19)23(24,25)26/h2-13H,1H3,(H2,27,33)(H,28,32)(H,29,30,31)
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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))
BDBM116813
PNG
(US8637532, 539)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(Nc4ccccn4)c3)ncnc12
Show InChI InChI=1S/C21H18N6O/c22-20(28)16-7-4-8-17-19(16)25-13-26-21(17)24-12-14-5-3-6-15(11-14)27-18-9-1-2-10-23-18/h1-11,13H,12H2,(H2,22,28)(H,23,27)(H,24,25,26)
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n/an/a 0.150n/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))
BDBM116823
PNG
(US8637532, 549)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(Nc4cc(ccn4)C#N)c3)ncnc12
Show InChI InChI=1S/C22H17N7O/c23-11-14-7-8-25-19(10-14)29-16-4-1-3-15(9-16)12-26-22-18-6-2-5-17(21(24)30)20(18)27-13-28-22/h1-10,13H,12H2,(H2,24,30)(H,25,29)(H,26,27,28)
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n/an/a 0.220n/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))
BDBM116843
PNG
(US8637532, 569)
Show SMILES Cc1ccnc(Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c1
Show InChI InChI=1S/C22H20N6O/c1-14-8-9-24-19(10-14)28-16-5-2-4-15(11-16)12-25-22-18-7-3-6-17(21(23)29)20(18)26-13-27-22/h2-11,13H,12H2,1H3,(H2,23,29)(H,24,28)(H,25,26,27)
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n/an/a 0.850n/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))
BDBM116848
PNG
(US8637532, 574)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(Nc4ccc(CC#N)cn4)c3)ncnc12
Show InChI InChI=1S/C23H19N7O/c24-10-9-15-7-8-20(26-12-15)30-17-4-1-3-16(11-17)13-27-23-19-6-2-5-18(22(25)31)21(19)28-14-29-23/h1-8,11-12,14H,9,13H2,(H2,25,31)(H,26,30)(H,27,28,29)
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n/an/a 1n/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))
BDBM116863
PNG
(US8637532, 589)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Nc2ccc(cn2)C(F)(F)F)c1
Show InChI InChI=1S/C23H19F3N6O/c1-13(31-22-18-7-3-6-17(21(27)33)20(18)29-12-30-22)14-4-2-5-16(10-14)32-19-9-8-15(11-28-19)23(24,25)26/h2-13H,1H3,(H2,27,33)(H,28,32)(H,29,30,31)/t13-/m1/s1
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n/an/a 2n/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))
BDBM116868
PNG
(US8637532, 594)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(Nc4cc(CC#N)ccn4)c3)ncnc12
Show InChI InChI=1S/C23H19N7O/c24-9-7-15-8-10-26-20(12-15)30-17-4-1-3-16(11-17)13-27-23-19-6-2-5-18(22(25)31)21(19)28-14-29-23/h1-6,8,10-12,14H,7,13H2,(H2,25,31)(H,26,30)(H,27,28,29)
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n/an/a 2.30n/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))
BDBM116876
PNG
(US8637532, 602)
Show SMILES Cc1ccc2ccnc(Nc3cccc(CNc4ncnc5c(cccc45)C(N)=O)c3)c2c1
Show InChI InChI=1S/C26H22N6O/c1-16-8-9-18-10-11-28-26(22(18)12-16)32-19-5-2-4-17(13-19)14-29-25-21-7-3-6-20(24(27)33)23(21)30-15-31-25/h2-13,15H,14H2,1H3,(H2,27,33)(H,28,32)(H,29,30,31)
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n/an/a 3.5n/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 A


(Homo sapiens (Human))
BDBM116877
PNG
(US8637532, 603)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(Nc4ccc(cn4)C(F)(F)F)c3)ncnc12
Show InChI InChI=1S/C22H17F3N6O/c23-22(24,25)14-7-8-18(27-11-14)31-15-4-1-3-13(9-15)10-28-21-17-6-2-5-16(20(26)32)19(17)29-12-30-21/h1-9,11-12H,10H2,(H2,26,32)(H,27,31)(H,28,29,30)
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n/an/a 3.60n/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))
BDBM116904
PNG
(US8637532, 630)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(Nc4ccc5ccccc5n4)c3)ncnc12
Show InChI InChI=1S/C25H20N6O/c26-24(32)19-8-4-9-20-23(19)28-15-29-25(20)27-14-16-5-3-7-18(13-16)30-22-12-11-17-6-1-2-10-21(17)31-22/h1-13,15H,14H2,(H2,26,32)(H,30,31)(H,27,28,29)
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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
Aurora kinase A


(Homo sapiens (Human))
BDBM116915
PNG
(US8637532, 642)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Nc2cc(C)ccn2)c1
Show InChI InChI=1S/C23H22N6O/c1-14-9-10-25-20(11-14)29-17-6-3-5-16(12-17)15(2)28-23-19-8-4-7-18(22(24)30)21(19)26-13-27-23/h3-13,15H,1-2H3,(H2,24,30)(H,25,29)(H,26,27,28)
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n/an/a 0.390n/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))
BDBM116957
PNG
(US8637532, 684)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(Nc4nc5ccc(cc5[nH]4)C(F)(F)F)c3)ncnc12
Show InChI InChI=1S/C24H18F3N7O/c25-24(26,27)14-7-8-18-19(10-14)34-23(33-18)32-15-4-1-3-13(9-15)11-29-22-17-6-2-5-16(21(28)35)20(17)30-12-31-22/h1-10,12H,11H2,(H2,28,35)(H,29,30,31)(H2,32,33,34)
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n/an/a 11n/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))
BDBM116813
PNG
(US8637532, 539)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(Nc4ccccn4)c3)ncnc12
Show InChI InChI=1S/C21H18N6O/c22-20(28)16-7-4-8-17-19(16)25-13-26-21(17)24-12-14-5-3-6-15(11-14)27-18-9-1-2-10-23-18/h1-11,13H,12H2,(H2,22,28)(H,23,27)(H,24,25,26)
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n/an/a 0.940n/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))
BDBM116823
PNG
(US8637532, 549)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(Nc4cc(ccn4)C#N)c3)ncnc12
Show InChI InChI=1S/C22H17N7O/c23-11-14-7-8-25-19(10-14)29-16-4-1-3-15(9-16)12-26-22-18-6-2-5-17(21(24)30)20(18)27-13-28-22/h1-10,13H,12H2,(H2,24,30)(H,25,29)(H,26,27,28)
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n/an/a 0.0600n/an/an/an/an/an/a



Merck Patent GmbH

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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))
BDBM116843
PNG
(US8637532, 569)
Show SMILES Cc1ccnc(Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c1
Show InChI InChI=1S/C22H20N6O/c1-14-8-9-24-19(10-14)28-16-5-2-4-15(11-16)12-25-22-18-7-3-6-17(21(23)29)20(18)26-13-27-22/h2-11,13H,12H2,1H3,(H2,23,29)(H,24,28)(H,25,26,27)
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n/an/a 0.390n/an/an/an/an/an/a



Merck Patent GmbH

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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))
BDBM116848
PNG
(US8637532, 574)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(Nc4ccc(CC#N)cn4)c3)ncnc12
Show InChI InChI=1S/C23H19N7O/c24-10-9-15-7-8-20(26-12-15)30-17-4-1-3-16(11-17)13-27-23-19-6-2-5-18(22(25)31)21(19)28-14-29-23/h1-8,11-12,14H,9,13H2,(H2,25,31)(H,26,30)(H,27,28,29)
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n/an/a 0.760n/an/an/an/an/an/a



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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))
BDBM116868
PNG
(US8637532, 594)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(Nc4cc(CC#N)ccn4)c3)ncnc12
Show InChI InChI=1S/C23H19N7O/c24-9-7-15-8-10-26-20(12-15)30-17-4-1-3-16(11-17)13-27-23-19-6-2-5-18(22(25)31)21(19)28-14-29-23/h1-6,8,10-12,14H,7,13H2,(H2,25,31)(H,26,30)(H,27,28,29)
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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))
BDBM116877
PNG
(US8637532, 603)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(Nc4ccc(cn4)C(F)(F)F)c3)ncnc12
Show InChI InChI=1S/C22H17F3N6O/c23-22(24,25)14-7-8-18(27-11-14)31-15-4-1-3-13(9-15)10-28-21-17-6-2-5-16(20(26)32)19(17)29-12-30-21/h1-9,11-12H,10H2,(H2,26,32)(H,27,31)(H,28,29,30)
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n/an/a 15n/an/an/an/an/an/a



Merck Patent GmbH

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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))
BDBM116843
PNG
(US8637532, 569)
Show SMILES Cc1ccnc(Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c1
Show InChI InChI=1S/C22H20N6O/c1-14-8-9-24-19(10-14)28-16-5-2-4-15(11-16)12-25-22-18-7-3-6-17(21(23)29)20(18)26-13-27-22/h2-11,13H,12H2,1H3,(H2,23,29)(H,24,28)(H,25,26,27)
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Merck Patent GmbH

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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