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24 similar compounds to monomer 116988

Compile data set for download or QSAR
Wt: 441.4
BDBM116928
Wt: 441.4
BDBM116935
Wt: 457.4
BDBM116939
Wt: 445.4
BDBM116947
Wt: 433.4
BDBM116948
Wt: 441.4
BDBM116949
Wt: 445.4
BDBM116953
Wt: 457.4
BDBM116780
Wt: 415.4
BDBM116962
Wt: 499.4
BDBM116969
Wt: 443.4
BDBM116989
Wt: 441.4
BDBM117014
Wt: 470.5
BDBM116864
Wt: 441.4
BDBM116892
Wt: 427.4
BDBM116387
Displayed 1 to 15 (of 24 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 116928,116935,116939,116947,116948,116949,116953,116780,116962,116969,116989,117014,116864,116892,116387   
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))
BDBM116387
PNG
(US8637532, 68)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H21N5O3/c1-32-18-10-8-16(9-11-18)24(31)29-17-5-2-4-15(12-17)13-26-23-20-7-3-6-19(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 20.2n/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))
BDBM116989
PNG
(US8637532, 716)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(O)cc23)C(N)=O)c1
Show InChI InChI=1S/C24H21N5O4/c1-33-18-7-5-15(6-8-18)24(32)29-16-4-2-3-14(9-16)12-26-23-20-11-17(30)10-19(22(25)31)21(20)27-13-28-23/h2-11,13,30H,12H2,1H3,(H2,25,31)(H,29,32)(H,26,27,28)
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n/an/a 0.600n/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))
BDBM116864
PNG
(US8637532, 590)
Show SMILES CNCc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1
Show InChI InChI=1S/C26H26N6O3/c1-28-13-17-11-21(24(27)33)23-22(12-17)25(31-15-30-23)29-14-16-4-3-5-19(10-16)32-26(34)18-6-8-20(35-2)9-7-18/h3-12,15,28H,13-14H2,1-2H3,(H2,27,33)(H,32,34)(H,29,30,31)
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n/an/a 2.30E+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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116969
PNG
(US8637532, 696)
Show SMILES NC(=O)c1cccc2c(NCc3ccc(F)c(NC(=O)c4ccc(OC(F)(F)F)cc4)c3)ncnc12
Show InChI InChI=1S/C24H17F4N5O3/c25-18-9-4-13(11-30-22-17-3-1-2-16(21(29)34)20(17)31-12-32-22)10-19(18)33-23(35)14-5-7-15(8-6-14)36-24(26,27)28/h1-10,12H,11H2,(H2,29,34)(H,33,35)(H,30,31,32)
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n/an/a 200n/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))
BDBM116387
PNG
(US8637532, 68)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H21N5O3/c1-32-18-10-8-16(9-11-18)24(31)29-17-5-2-4-15(12-17)13-26-23-20-7-3-6-19(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 0.290n/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))
BDBM116780
PNG
(US8637532, 497)
Show SMILES COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c(OC)c1
Show InChI InChI=1S/C25H23N5O4/c1-33-17-9-10-18(21(12-17)34-2)25(32)30-16-6-3-5-15(11-16)13-27-24-20-8-4-7-19(23(26)31)22(20)28-14-29-24/h3-12,14H,13H2,1-2H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 0.770n/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))
BDBM116864
PNG
(US8637532, 590)
Show SMILES CNCc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1
Show InChI InChI=1S/C26H26N6O3/c1-28-13-17-11-21(24(27)33)23-22(12-17)25(31-15-30-23)29-14-16-4-3-5-19(10-16)32-26(34)18-6-8-20(35-2)9-7-18/h3-12,15,28H,13-14H2,1-2H3,(H2,27,33)(H,32,34)(H,29,30,31)
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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))
BDBM116892
PNG
(US8637532, 618)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(C)c(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O3/c1-15-6-9-18(30-25(32)16-7-10-19(33-2)11-8-16)12-17(15)13-27-24-21-5-3-4-20(23(26)31)22(21)28-14-29-24/h3-12,14H,13H2,1-2H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 9.10n/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))
BDBM116928
PNG
(US8637532, 655)
Show SMILES CCOc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O3/c1-2-33-19-11-9-17(10-12-19)25(32)30-18-6-3-5-16(13-18)14-27-24-21-8-4-7-20(23(26)31)22(21)28-15-29-24/h3-13,15H,2,14H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 0.130n/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 A


(Homo sapiens (Human))
BDBM116935
PNG
(US8637532, 662)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CN(C)c2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O3/c1-30(24-21-8-4-7-20(23(26)31)22(21)27-15-28-24)14-16-5-3-6-18(13-16)29-25(32)17-9-11-19(33-2)12-10-17/h3-13,15H,14H2,1-2H3,(H2,26,31)(H,29,32)
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n/an/a 3.30n/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))
BDBM116939
PNG
(US8637532, 666)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O4/c1-33-20-10-9-16(12-21(20)34-2)25(32)30-17-6-3-5-15(11-17)13-27-24-19-8-4-7-18(23(26)31)22(19)28-14-29-24/h3-12,14H,13H2,1-2H3,(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))
BDBM116947
PNG
(US8637532, 674)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(F)c(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H20FN5O3/c1-33-17-8-5-14(6-9-17)24(32)30-16-7-10-20(25)15(11-16)12-27-23-19-4-2-3-18(22(26)31)21(19)28-13-29-23/h2-11,13H,12H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 2.90n/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))
BDBM116949
PNG
(US8637532, 676)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(CNc2ncnc3c(cccc23)C(N)=O)ccc1C
Show InChI InChI=1S/C25H23N5O3/c1-15-6-7-16(12-21(15)30-25(32)17-8-10-18(33-2)11-9-17)13-27-24-20-5-3-4-19(23(26)31)22(20)28-14-29-24/h3-12,14H,13H2,1-2H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 0.330n/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))
BDBM116953
PNG
(US8637532, 680)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(F)cc23)C(N)=O)c1
Show InChI InChI=1S/C24H20FN5O3/c1-33-18-7-5-15(6-8-18)24(32)30-17-4-2-3-14(9-17)12-27-23-20-11-16(25)10-19(22(26)31)21(20)28-13-29-23/h2-11,13H,12H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 0.25n/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))
BDBM116962
PNG
(US8637532, 689)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4F)c3)ncnc12
Show InChI InChI=1S/C23H18FN5O2/c24-19-10-2-1-7-16(19)23(31)29-15-6-3-5-14(11-15)12-26-22-18-9-4-8-17(21(25)30)20(18)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 1.60n/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))
BDBM116969
PNG
(US8637532, 696)
Show SMILES NC(=O)c1cccc2c(NCc3ccc(F)c(NC(=O)c4ccc(OC(F)(F)F)cc4)c3)ncnc12
Show InChI InChI=1S/C24H17F4N5O3/c25-18-9-4-13(11-30-22-17-3-1-2-16(21(29)34)20(17)31-12-32-22)10-19(18)33-23(35)14-5-7-15(8-6-14)36-24(26,27)28/h1-10,12H,11H2,(H2,29,34)(H,33,35)(H,30,31,32)
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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))
BDBM116989
PNG
(US8637532, 716)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(O)cc23)C(N)=O)c1
Show InChI InChI=1S/C24H21N5O4/c1-33-18-7-5-15(6-8-18)24(32)29-16-4-2-3-14(9-16)12-26-23-20-11-17(30)10-19(22(25)31)21(20)27-13-28-23/h2-11,13,30H,12H2,1H3,(H2,25,31)(H,29,32)(H,26,27,28)
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n/an/a 0.120n/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))
BDBM117014
PNG
(US8637532, 743)
Show SMILES COc1ccc(cc1)C(=O)N(C)c1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O3/c1-30(25(32)17-9-11-19(33-2)12-10-17)18-6-3-5-16(13-18)14-27-24-21-8-4-7-20(23(26)31)22(21)28-15-29-24/h3-13,15H,14H2,1-2H3,(H2,26,31)(H,27,28,29)
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n/an/a 649n/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))
BDBM116387
PNG
(US8637532, 68)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H21N5O3/c1-32-18-10-8-16(9-11-18)24(31)29-17-5-2-4-15(12-17)13-26-23-20-7-3-6-19(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 0.350n/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))
BDBM116780
PNG
(US8637532, 497)
Show SMILES COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c(OC)c1
Show InChI InChI=1S/C25H23N5O4/c1-33-17-9-10-18(21(12-17)34-2)25(32)30-16-6-3-5-15(11-16)13-27-24-20-8-4-7-19(23(26)31)22(20)28-14-29-24/h3-12,14H,13H2,1-2H3,(H2,26,31)(H,30,32)(H,27,28,29)
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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 B


(Homo sapiens (Human))
BDBM116892
PNG
(US8637532, 618)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(C)c(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O3/c1-15-6-9-18(30-25(32)16-7-10-19(33-2)11-8-16)12-17(15)13-27-24-21-5-3-4-20(23(26)31)22(21)28-14-29-24/h3-12,14H,13H2,1-2H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 32n/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))
BDBM116928
PNG
(US8637532, 655)
Show SMILES CCOc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O3/c1-2-33-19-11-9-17(10-12-19)25(32)30-18-6-3-5-16(13-18)14-27-24-21-8-4-7-20(23(26)31)22(21)28-15-29-24/h3-13,15H,2,14H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 1.80n/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 B


(Homo sapiens (Human))
BDBM116935
PNG
(US8637532, 662)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CN(C)c2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O3/c1-30(24-21-8-4-7-20(23(26)31)22(21)27-15-28-24)14-16-5-3-6-18(13-16)29-25(32)17-9-11-19(33-2)12-10-17/h3-13,15H,14H2,1-2H3,(H2,26,31)(H,29,32)
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n/an/a 13n/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))
BDBM116939
PNG
(US8637532, 666)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O4/c1-33-20-10-9-16(12-21(20)34-2)25(32)30-17-6-3-5-15(11-17)13-27-24-19-8-4-7-18(23(26)31)22(19)28-14-29-24/h3-12,14H,13H2,1-2H3,(H2,26,31)(H,30,32)(H,27,28,29)
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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))
BDBM116947
PNG
(US8637532, 674)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(F)c(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H20FN5O3/c1-33-17-8-5-14(6-9-17)24(32)30-16-7-10-20(25)15(11-16)12-27-23-19-4-2-3-18(22(26)31)21(19)28-13-29-23/h2-11,13H,12H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 2.70n/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))
BDBM116949
PNG
(US8637532, 676)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(CNc2ncnc3c(cccc23)C(N)=O)ccc1C
Show InChI InChI=1S/C25H23N5O3/c1-15-6-7-16(12-21(15)30-25(32)17-8-10-18(33-2)11-9-17)13-27-24-20-5-3-4-19(23(26)31)22(20)28-14-29-24/h3-12,14H,13H2,1-2H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 0.800n/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))
BDBM116962
PNG
(US8637532, 689)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4F)c3)ncnc12
Show InChI InChI=1S/C23H18FN5O2/c24-19-10-2-1-7-16(19)23(31)29-15-6-3-5-14(11-15)12-26-22-18-9-4-8-17(21(25)30)20(18)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 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 B


(Homo sapiens (Human))
BDBM116969
PNG
(US8637532, 696)
Show SMILES NC(=O)c1cccc2c(NCc3ccc(F)c(NC(=O)c4ccc(OC(F)(F)F)cc4)c3)ncnc12
Show InChI InChI=1S/C24H17F4N5O3/c25-18-9-4-13(11-30-22-17-3-1-2-16(21(29)34)20(17)31-12-32-22)10-19(18)33-23(35)14-5-7-15(8-6-14)36-24(26,27)28/h1-10,12H,11H2,(H2,29,34)(H,33,35)(H,30,31,32)
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n/an/a 1.80n/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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116780
PNG
(US8637532, 497)
Show SMILES COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c(OC)c1
Show InChI InChI=1S/C25H23N5O4/c1-33-17-9-10-18(21(12-17)34-2)25(32)30-16-6-3-5-15(11-16)13-27-24-20-8-4-7-19(23(26)31)22(20)28-14-29-24/h3-12,14H,13H2,1-2H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 72n/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