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25 similar compounds to monomer 116758

Compile data set for download or QSAR
Wt: 418.4
BDBM116905
Wt: 476.5
BDBM116914
Wt: 403.4
BDBM116929
Wt: 404.4
BDBM116936
Wt: 468.5
BDBM116937
Wt: 413.4
BDBM116760
Wt: 468.5
BDBM116950
Wt: 431.5
BDBM116764
Wt: 494.5
BDBM116768
Wt: 494.5
BDBM116967
Wt: 411.4
BDBM116811
Wt: 411.4
BDBM116818
Wt: 403.4
BDBM116841
Wt: 425.4
BDBM116845
Wt: 443.4
BDBM116846
Displayed 1 to 15 (of 25 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 116905,116914,116929,116936,116937,116760,116950,116764,116768,116967,116811,116818,116841,116845,116846   
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))
BDBM116967
PNG
(US8637532, 694)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1
Show InChI InChI=1S/C29H30N6O2/c1-19(33-28-25-9-5-8-24(27(30)36)26(25)31-18-32-28)22-6-4-7-23(16-22)34-29(37)21-12-10-20(11-13-21)17-35-14-2-3-15-35/h4-13,16,18-19H,2-3,14-15,17H2,1H3,(H2,30,36)(H,34,37)(H,31,32,33)
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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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116768
PNG
(US8637532, 485)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1
Show InChI InChI=1S/C29H30N6O2/c1-19(33-28-25-9-5-8-24(27(30)36)26(25)31-18-32-28)22-6-4-7-23(16-22)34-29(37)21-12-10-20(11-13-21)17-35-14-2-3-15-35/h4-13,16,18-19H,2-3,14-15,17H2,1H3,(H2,30,36)(H,34,37)(H,31,32,33)/t19-/m1/s1
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n/an/a 65n/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))
BDBM116818
PNG
(US8637532, 544)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC2(F)F)c1
Show InChI InChI=1S/C21H19F2N5O2/c1-11(12-4-2-5-13(8-12)28-20(30)16-9-21(16,22)23)27-19-15-7-3-6-14(18(24)29)17(15)25-10-26-19/h2-8,10-11,16H,9H2,1H3,(H2,24,29)(H,28,30)(H,25,26,27)
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n/an/a 190n/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))
BDBM116841
PNG
(US8637532, 567)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC2(C)C)c1
Show InChI InChI=1S/C23H25N5O2/c1-13(14-6-4-7-15(10-14)28-22(30)18-11-23(18,2)3)27-21-17-9-5-8-16(20(24)29)19(17)25-12-26-21/h4-10,12-13,18H,11H2,1-3H3,(H2,24,29)(H,28,30)(H,25,26,27)/t13-,18?/m1/s1
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n/an/a 160n/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))
BDBM116845
PNG
(US8637532, 571)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC(F)(F)C2)c1
Show InChI InChI=1S/C22H21F2N5O2/c1-12(28-20-17-7-3-6-16(19(25)30)18(17)26-11-27-20)13-4-2-5-15(8-13)29-21(31)14-9-22(23,24)10-14/h2-8,11-12,14H,9-10H2,1H3,(H2,25,30)(H,29,31)(H,26,27,28)
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n/an/a 270n/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))
BDBM116846
PNG
(US8637532, 572)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2(CC2)C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N5O2/c1-12(29-19-16-7-3-6-15(18(26)31)17(16)27-11-28-19)13-4-2-5-14(10-13)30-20(32)21(8-9-21)22(23,24)25/h2-7,10-12H,8-9H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 290n/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))
BDBM116905
PNG
(US8637532, 631)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CNC(=O)C2)c1
Show InChI InChI=1S/C22H22N6O3/c1-12(27-21-17-7-3-6-16(20(23)30)19(17)25-11-26-21)13-4-2-5-15(8-13)28-22(31)14-9-18(29)24-10-14/h2-8,11-12,14H,9-10H2,1H3,(H2,23,30)(H,24,29)(H,28,31)(H,25,26,27)
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n/an/a 690n/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))
BDBM116937
PNG
(US8637532, 664)
Show SMILES CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C27H28N6O2/c1-33(2)15-14-23(32-26-22-13-7-12-21(25(28)34)24(22)29-17-30-26)19-10-6-11-20(16-19)31-27(35)18-8-4-3-5-9-18/h3-13,16-17,23H,14-15H2,1-2H3,(H2,28,34)(H,31,35)(H,29,30,32)
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n/an/a 270n/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))
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))
BDBM116967
PNG
(US8637532, 694)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1
Show InChI InChI=1S/C29H30N6O2/c1-19(33-28-25-9-5-8-24(27(30)36)26(25)31-18-32-28)22-6-4-7-23(16-22)34-29(37)21-12-10-20(11-13-21)17-35-14-2-3-15-35/h4-13,16,18-19H,2-3,14-15,17H2,1H3,(H2,30,36)(H,34,37)(H,31,32,33)
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n/an/a 150n/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))
BDBM116768
PNG
(US8637532, 485)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1
Show InChI InChI=1S/C29H30N6O2/c1-19(33-28-25-9-5-8-24(27(30)36)26(25)31-18-32-28)22-6-4-7-23(16-22)34-29(37)21-12-10-20(11-13-21)17-35-14-2-3-15-35/h4-13,16,18-19H,2-3,14-15,17H2,1H3,(H2,30,36)(H,34,37)(H,31,32,33)/t19-/m1/s1
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n/an/a 4.40n/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 A


(Homo sapiens (Human))
BDBM116811
PNG
(US8637532, 537)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC2(F)F)c1
Show InChI InChI=1S/C21H19F2N5O2/c1-11(12-4-2-5-13(8-12)28-20(30)16-9-21(16,22)23)27-19-15-7-3-6-14(18(24)29)17(15)25-10-26-19/h2-8,10-11,16H,9H2,1H3,(H2,24,29)(H,28,30)(H,25,26,27)/t11-,16?/m1/s1
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n/an/a 0.0400n/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))
BDBM116818
PNG
(US8637532, 544)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC2(F)F)c1
Show InChI InChI=1S/C21H19F2N5O2/c1-11(12-4-2-5-13(8-12)28-20(30)16-9-21(16,22)23)27-19-15-7-3-6-14(18(24)29)17(15)25-10-26-19/h2-8,10-11,16H,9H2,1H3,(H2,24,29)(H,28,30)(H,25,26,27)
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n/an/a 0.180n/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))
BDBM116841
PNG
(US8637532, 567)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC2(C)C)c1
Show InChI InChI=1S/C23H25N5O2/c1-13(14-6-4-7-15(10-14)28-22(30)18-11-23(18,2)3)27-21-17-9-5-8-16(20(24)29)19(17)25-12-26-21/h4-10,12-13,18H,11H2,1-3H3,(H2,24,29)(H,28,30)(H,25,26,27)/t13-,18?/m1/s1
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n/an/a 0.75n/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))
BDBM116845
PNG
(US8637532, 571)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC(F)(F)C2)c1
Show InChI InChI=1S/C22H21F2N5O2/c1-12(28-20-17-7-3-6-16(19(25)30)18(17)26-11-27-20)13-4-2-5-15(8-13)29-21(31)14-9-22(23,24)10-14/h2-8,11-12,14H,9-10H2,1H3,(H2,25,30)(H,29,31)(H,26,27,28)
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n/an/a 0.860n/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))
BDBM116846
PNG
(US8637532, 572)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2(CC2)C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N5O2/c1-12(29-19-16-7-3-6-15(18(26)31)17(16)27-11-28-19)13-4-2-5-14(10-13)30-20(32)21(8-9-21)22(23,24)25/h2-7,10-12H,8-9H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 0.860n/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))
BDBM116905
PNG
(US8637532, 631)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CNC(=O)C2)c1
Show InChI InChI=1S/C22H22N6O3/c1-12(27-21-17-7-3-6-16(20(23)30)19(17)25-11-26-21)13-4-2-5-15(8-13)28-22(31)14-9-18(29)24-10-14/h2-8,11-12,14H,9-10H2,1H3,(H2,23,30)(H,24,29)(H,28,31)(H,25,26,27)
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n/an/a 35n/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))
BDBM116914
PNG
(US8637532, 640)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)-n2cccc2)c1
Show InChI InChI=1S/C28H24N6O2/c1-18(32-27-24-9-5-8-23(26(29)35)25(24)30-17-31-27)20-6-4-7-21(16-20)33-28(36)19-10-12-22(13-11-19)34-14-2-3-15-34/h2-18H,1H3,(H2,29,35)(H,33,36)(H,30,31,32)/t18-/m1/s1
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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))
BDBM116929
PNG
(US8637532, 656)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4CCCCC4)c3)ncnc12
Show InChI InChI=1S/C23H25N5O2/c24-21(29)18-10-5-11-19-20(18)26-14-27-22(19)25-13-15-6-4-9-17(12-15)28-23(30)16-7-2-1-3-8-16/h4-6,9-12,14,16H,1-3,7-8,13H2,(H2,24,29)(H,28,30)(H,25,26,27)
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n/an/a 0.160n/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))
BDBM116936
PNG
(US8637532, 663)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4CCCNC4)c3)ncnc12
Show InChI InChI=1S/C22H24N6O2/c23-20(29)17-7-2-8-18-19(17)26-13-27-21(18)25-11-14-4-1-6-16(10-14)28-22(30)15-5-3-9-24-12-15/h1-2,4,6-8,10,13,15,24H,3,5,9,11-12H2,(H2,23,29)(H,28,30)(H,25,26,27)
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n/an/a 3n/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))
BDBM116937
PNG
(US8637532, 664)
Show SMILES CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C27H28N6O2/c1-33(2)15-14-23(32-26-22-13-7-12-21(25(28)34)24(22)29-17-30-26)19-10-6-11-20(16-19)31-27(35)18-8-4-3-5-9-18/h3-13,16-17,23H,14-15H2,1-2H3,(H2,28,34)(H,31,35)(H,29,30,32)
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n/an/a 0.180n/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))
BDBM116967
PNG
(US8637532, 694)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1
Show InChI InChI=1S/C29H30N6O2/c1-19(33-28-25-9-5-8-24(27(30)36)26(25)31-18-32-28)22-6-4-7-23(16-22)34-29(37)21-12-10-20(11-13-21)17-35-14-2-3-15-35/h4-13,16,18-19H,2-3,14-15,17H2,1H3,(H2,30,36)(H,34,37)(H,31,32,33)
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n/an/a 4n/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))
BDBM116845
PNG
(US8637532, 571)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC(F)(F)C2)c1
Show InChI InChI=1S/C22H21F2N5O2/c1-12(28-20-17-7-3-6-16(19(25)30)18(17)26-11-27-20)13-4-2-5-15(8-13)29-21(31)14-9-22(23,24)10-14/h2-8,11-12,14H,9-10H2,1H3,(H2,25,30)(H,29,31)(H,26,27,28)
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n/an/a 6.5n/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))
BDBM116905
PNG
(US8637532, 631)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CNC(=O)C2)c1
Show InChI InChI=1S/C22H22N6O3/c1-12(27-21-17-7-3-6-16(20(23)30)19(17)25-11-26-21)13-4-2-5-15(8-13)28-22(31)14-9-18(29)24-10-14/h2-8,11-12,14H,9-10H2,1H3,(H2,23,30)(H,24,29)(H,28,31)(H,25,26,27)
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n/an/a 38n/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))
BDBM116929
PNG
(US8637532, 656)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4CCCCC4)c3)ncnc12
Show InChI InChI=1S/C23H25N5O2/c24-21(29)18-10-5-11-19-20(18)26-14-27-22(19)25-13-15-6-4-9-17(12-15)28-23(30)16-7-2-1-3-8-16/h4-6,9-12,14,16H,1-3,7-8,13H2,(H2,24,29)(H,28,30)(H,25,26,27)
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n/an/a 1.10n/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 B


(Homo sapiens (Human))
BDBM116936
PNG
(US8637532, 663)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4CCCNC4)c3)ncnc12
Show InChI InChI=1S/C22H24N6O2/c23-20(29)17-7-2-8-18-19(17)26-13-27-21(18)25-11-14-4-1-6-16(10-14)28-22(30)15-5-3-9-24-12-15/h1-2,4,6-8,10,13,15,24H,3,5,9,11-12H2,(H2,23,29)(H,28,30)(H,25,26,27)
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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 B


(Homo sapiens (Human))
BDBM116937
PNG
(US8637532, 664)
Show SMILES CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C27H28N6O2/c1-33(2)15-14-23(32-26-22-13-7-12-21(25(28)34)24(22)29-17-30-26)19-10-6-11-20(16-19)31-27(35)18-8-4-3-5-9-18/h3-13,16-17,23H,14-15H2,1-2H3,(H2,28,34)(H,31,35)(H,29,30,32)
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n/an/a 1.90n/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 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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116764
PNG
(US8637532, 478)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CCC(C)CC2)c1
Show InChI InChI=1S/C25H29N5O2/c1-15-9-11-17(12-10-15)25(32)30-19-6-3-5-18(13-19)16(2)29-24-21-8-4-7-20(23(26)31)22(21)27-14-28-24/h3-8,13-17H,9-12H2,1-2H3,(H2,26,31)(H,30,32)(H,27,28,29)/t15?,16-,17?/m1/s1
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n/an/a 61n/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