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24 similar compounds to monomer 116986

Compile data set for download or QSAR
Wt: 445.4
BDBM116945
Wt: 413.4
BDBM116760
Wt: 495.4
BDBM116761
Wt: 468.5
BDBM116950
Wt: 473.4
BDBM116963
Wt: 477.4
BDBM116972
Wt: 473.4
BDBM116982
Wt: 445.4
BDBM116396
Wt: 459.4
BDBM116399
Wt: 459.4
BDBM116716
Wt: 482.5
BDBM116717
Wt: 459.4
BDBM116730
Wt: 415.4
BDBM116478
Wt: 455.4
BDBM116549
Wt: 445.4
BDBM116556
Displayed 1 to 15 (of 24 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 40 hits for monomerid = 116945,116760,116761,116950,116963,116972,116982,116396,116399,116716,116717,116730,116478,116549,116556   
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))
BDBM116396
PNG
(US8637532, 77)
Show SMILES COc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(F)cc4)c3)c2c1
Show InChI InChI=1S/C24H20FN5O3/c1-33-18-10-19(22(26)31)21-20(11-18)23(29-13-28-21)27-12-14-3-2-4-17(9-14)30-24(32)15-5-7-16(25)8-6-15/h2-11,13H,12H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 1.70n/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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM116761
PNG
(US8637532, 475)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C25H20F3N5O3/c1-14(32-23-20-7-3-6-19(22(29)34)21(20)30-13-31-23)16-4-2-5-17(12-16)33-24(35)15-8-10-18(11-9-15)36-25(26,27)28/h2-14H,1H3,(H2,29,34)(H,33,35)(H,30,31,32)
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n/an/a 8.60E+4n/an/an/an/a7.530



Merck Patent GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well Flashplate assay (PerkinElmer LAS Germany GmbH). 3.4 nM His6-PDK1(Delta 1-50) (PDK1 that has a His-tag cons...


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))
BDBM116478
PNG
(US8637532, 159)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(F)cc4)c3)ncnc12
Show InChI InChI=1S/C23H18FN5O2/c24-16-9-7-15(8-10-16)23(31)29-17-4-1-3-14(11-17)12-26-22-19-6-2-5-18(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 14.3n/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))
BDBM116549
PNG
(US8637532, 240)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C25H21N5O4/c1-14(29-24-19-7-3-6-18(23(26)31)22(19)27-12-28-24)15-4-2-5-17(10-15)30-25(32)16-8-9-20-21(11-16)34-13-33-20/h2-12,14H,13H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 3.30n/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))
BDBM116556
PNG
(US8637532, 247)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(F)c(O)c2)c1
Show InChI InChI=1S/C24H20FN5O3/c1-13(29-23-18-7-3-6-17(22(26)32)21(18)27-12-28-23)14-4-2-5-16(10-14)30-24(33)15-8-9-19(25)20(31)11-15/h2-13,31H,1H3,(H2,26,32)(H,30,33)(H,27,28,29)
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n/an/a 3.70n/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))
BDBM116716
PNG
(US8637532, 425)
Show SMILES COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C25H22FN5O3/c1-14(30-24-19-8-4-7-18(23(27)32)22(19)28-13-29-24)15-5-3-6-17(11-15)31-25(33)16-9-10-21(34-2)20(26)12-16/h3-14H,1-2H3,(H2,27,32)(H,31,33)(H,28,29,30)
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n/an/a 35n/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))
BDBM116717
PNG
(US8637532, 426)
Show SMILES CCN(CC)c1ccc(cc1)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C28H30N6O2/c1-4-34(5-2)22-14-12-19(13-15-22)28(36)33-21-9-6-8-20(16-21)18(3)32-27-24-11-7-10-23(26(29)35)25(24)30-17-31-27/h6-18H,4-5H2,1-3H3,(H2,29,35)(H,33,36)(H,30,31,32)
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n/an/a 35n/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))
BDBM116730
PNG
(US8637532, 440)
Show SMILES COc1ccc(cc1F)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C25H22FN5O3/c1-14(30-24-19-8-4-7-18(23(27)32)22(19)28-13-29-24)15-5-3-6-17(11-15)31-25(33)16-9-10-21(34-2)20(26)12-16/h3-14H,1-2H3,(H2,27,32)(H,31,33)(H,28,29,30)/t14-/m1/s1
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n/an/a 39n/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))
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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116761
PNG
(US8637532, 475)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C25H20F3N5O3/c1-14(32-23-20-7-3-6-19(22(29)34)21(20)30-13-31-23)16-4-2-5-17(12-16)33-24(35)15-8-10-18(11-9-15)36-25(26,27)28/h2-14H,1H3,(H2,29,34)(H,33,35)(H,30,31,32)
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n/an/a 60n/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))
BDBM116945
PNG
(US8637532, 672)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(O)c(F)c2)c1
Show InChI InChI=1S/C24H20FN5O3/c1-13(29-23-18-7-3-6-17(22(26)32)21(18)27-12-28-23)14-4-2-5-16(10-14)30-24(33)15-8-9-20(31)19(25)11-15/h2-13,31H,1H3,(H2,26,32)(H,30,33)(H,27,28,29)
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n/an/a 460n/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))
BDBM116972
PNG
(US8637532, 699)
Show SMILES COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cc(F)cc12)C(N)=O
Show InChI InChI=1S/C25H21F2N5O3/c1-13(31-24-19-11-16(26)10-18(23(28)33)22(19)29-12-30-24)14-4-3-5-17(8-14)32-25(34)15-6-7-21(35-2)20(27)9-15/h3-13H,1-2H3,(H2,28,33)(H,32,34)(H,29,30,31)
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n/an/a 230n/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))
BDBM116982
PNG
(US8637532, 709)
Show SMILES COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cc(C)cc12)C(N)=O
Show InChI InChI=1S/C26H24FN5O3/c1-14-9-19(24(28)33)23-20(10-14)25(30-13-29-23)31-15(2)16-5-4-6-18(11-16)32-26(34)17-7-8-22(35-3)21(27)12-17/h4-13,15H,1-3H3,(H2,28,33)(H,32,34)(H,29,30,31)
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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))
BDBM116396
PNG
(US8637532, 77)
Show SMILES COc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(F)cc4)c3)c2c1
Show InChI InChI=1S/C24H20FN5O3/c1-33-18-10-19(22(26)31)21-20(11-18)23(29-13-28-21)27-12-14-3-2-4-17(9-14)30-24(32)15-5-7-16(25)8-6-15/h2-11,13H,12H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 0.400n/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))
BDBM116399
PNG
(US8637532, 80)
Show SMILES CCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(F)cc4)c3)c2c1
Show InChI InChI=1S/C25H22FN5O3/c1-2-34-19-11-20(23(27)32)22-21(12-19)24(30-14-29-22)28-13-15-4-3-5-18(10-15)31-25(33)16-6-8-17(26)9-7-16/h3-12,14H,2,13H2,1H3,(H2,27,32)(H,31,33)(H,28,29,30)
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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))
BDBM116478
PNG
(US8637532, 159)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(F)cc4)c3)ncnc12
Show InChI InChI=1S/C23H18FN5O2/c24-16-9-7-15(8-10-16)23(31)29-17-4-1-3-14(11-17)12-26-22-19-6-2-5-18(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 580n/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))
BDBM116549
PNG
(US8637532, 240)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C25H21N5O4/c1-14(29-24-19-7-3-6-18(23(26)31)22(19)27-12-28-24)15-4-2-5-17(10-15)30-25(32)16-8-9-20-21(11-16)34-13-33-20/h2-12,14H,13H2,1H3,(H2,26,31)(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 A


(Homo sapiens (Human))
BDBM116556
PNG
(US8637532, 247)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(F)c(O)c2)c1
Show InChI InChI=1S/C24H20FN5O3/c1-13(29-23-18-7-3-6-17(22(26)32)21(18)27-12-28-23)14-4-2-5-16(10-14)30-24(33)15-8-9-19(25)20(31)11-15/h2-13,31H,1H3,(H2,26,32)(H,30,33)(H,27,28,29)
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n/an/a 0.970n/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))
BDBM116717
PNG
(US8637532, 426)
Show SMILES CCN(CC)c1ccc(cc1)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C28H30N6O2/c1-4-34(5-2)22-14-12-19(13-15-22)28(36)33-21-9-6-8-20(16-21)18(3)32-27-24-11-7-10-23(26(29)35)25(24)30-17-31-27/h6-18H,4-5H2,1-3H3,(H2,29,35)(H,33,36)(H,30,31,32)
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n/an/a 0.370n/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))
BDBM116730
PNG
(US8637532, 440)
Show SMILES COc1ccc(cc1F)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C25H22FN5O3/c1-14(30-24-19-8-4-7-18(23(27)32)22(19)28-13-29-24)15-5-3-6-17(11-15)31-25(33)16-9-10-21(34-2)20(26)12-16/h3-14H,1-2H3,(H2,27,32)(H,31,33)(H,28,29,30)/t14-/m1/s1
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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))
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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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))
BDBM116761
PNG
(US8637532, 475)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C25H20F3N5O3/c1-14(32-23-20-7-3-6-19(22(29)34)21(20)30-13-31-23)16-4-2-5-17(12-16)33-24(35)15-8-10-18(11-9-15)36-25(26,27)28/h2-14H,1H3,(H2,29,34)(H,33,35)(H,30,31,32)
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n/an/a 0.530n/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))
BDBM116716
PNG
(US8637532, 425)
Show SMILES COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C25H22FN5O3/c1-14(30-24-19-8-4-7-18(23(27)32)22(19)28-13-29-24)15-5-3-6-17(11-15)31-25(33)16-9-10-21(34-2)20(26)12-16/h3-14H,1-2H3,(H2,27,32)(H,31,33)(H,28,29,30)
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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))
BDBM116945
PNG
(US8637532, 672)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(O)c(F)c2)c1
Show InChI InChI=1S/C24H20FN5O3/c1-13(29-23-18-7-3-6-17(22(26)32)21(18)27-12-28-23)14-4-2-5-16(10-14)30-24(33)15-8-9-20(31)19(25)11-15/h2-13,31H,1H3,(H2,26,32)(H,30,33)(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))
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))
BDBM116963
PNG
(US8637532, 690)
Show SMILES CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)c(F)c2)c1
Show InChI InChI=1S/C26H24FN5O3/c1-3-21(32-25-19-9-5-8-18(24(28)33)23(19)29-14-30-25)15-6-4-7-17(12-15)31-26(34)16-10-11-22(35-2)20(27)13-16/h4-14,21H,3H2,1-2H3,(H2,28,33)(H,31,34)(H,29,30,32)
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n/an/a 0.460n/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))
BDBM116972
PNG
(US8637532, 699)
Show SMILES COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cc(F)cc12)C(N)=O
Show InChI InChI=1S/C25H21F2N5O3/c1-13(31-24-19-11-16(26)10-18(23(28)33)22(19)29-12-30-24)14-4-3-5-17(8-14)32-25(34)15-6-7-21(35-2)20(27)9-15/h3-13H,1-2H3,(H2,28,33)(H,32,34)(H,29,30,31)
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n/an/a 0.830n/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))
BDBM116982
PNG
(US8637532, 709)
Show SMILES COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cc(C)cc12)C(N)=O
Show InChI InChI=1S/C26H24FN5O3/c1-14-9-19(24(28)33)23-20(10-14)25(30-13-29-23)31-15(2)16-5-4-6-18(11-16)32-26(34)17-7-8-22(35-3)21(27)12-17/h4-13,15H,1-3H3,(H2,28,33)(H,32,34)(H,29,30,31)
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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))
BDBM116396
PNG
(US8637532, 77)
Show SMILES COc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(F)cc4)c3)c2c1
Show InChI InChI=1S/C24H20FN5O3/c1-33-18-10-19(22(26)31)21-20(11-18)23(29-13-28-21)27-12-14-3-2-4-17(9-14)30-24(32)15-5-7-16(25)8-6-15/h2-11,13H,12H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 1.70n/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))
BDBM116399
PNG
(US8637532, 80)
Show SMILES CCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(F)cc4)c3)c2c1
Show InChI InChI=1S/C25H22FN5O3/c1-2-34-19-11-20(23(27)32)22-21(12-19)24(30-14-29-22)28-13-15-4-3-5-18(10-15)31-25(33)16-6-8-17(26)9-7-16/h3-12,14H,2,13H2,1H3,(H2,27,32)(H,31,33)(H,28,29,30)
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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 B


(Homo sapiens (Human))
BDBM116478
PNG
(US8637532, 159)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(F)cc4)c3)ncnc12
Show InChI InChI=1S/C23H18FN5O2/c24-16-9-7-15(8-10-16)23(31)29-17-4-1-3-14(11-17)12-26-22-19-6-2-5-18(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 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 B


(Homo sapiens (Human))
BDBM116549
PNG
(US8637532, 240)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C25H21N5O4/c1-14(29-24-19-7-3-6-18(23(26)31)22(19)27-12-28-24)15-4-2-5-17(10-15)30-25(32)16-8-9-20-21(11-16)34-13-33-20/h2-12,14H,13H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 0.430n/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))
BDBM116556
PNG
(US8637532, 247)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(F)c(O)c2)c1
Show InChI InChI=1S/C24H20FN5O3/c1-13(29-23-18-7-3-6-17(22(26)32)21(18)27-12-28-23)14-4-2-5-16(10-14)30-24(33)15-8-9-19(25)20(31)11-15/h2-13,31H,1H3,(H2,26,32)(H,30,33)(H,27,28,29)
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n/an/a 0.400n/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))
BDBM116716
PNG
(US8637532, 425)
Show SMILES COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C25H22FN5O3/c1-14(30-24-19-8-4-7-18(23(27)32)22(19)28-13-29-24)15-5-3-6-17(11-15)31-25(33)16-9-10-21(34-2)20(26)12-16/h3-14H,1-2H3,(H2,27,32)(H,31,33)(H,28,29,30)
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n/an/a 0.570n/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))
BDBM116717
PNG
(US8637532, 426)
Show SMILES CCN(CC)c1ccc(cc1)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C28H30N6O2/c1-4-34(5-2)22-14-12-19(13-15-22)28(36)33-21-9-6-8-20(16-21)18(3)32-27-24-11-7-10-23(26(29)35)25(24)30-17-31-27/h6-18H,4-5H2,1-3H3,(H2,29,35)(H,33,36)(H,30,31,32)
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n/an/a 0.0460n/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))
BDBM116730
PNG
(US8637532, 440)
Show SMILES COc1ccc(cc1F)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C25H22FN5O3/c1-14(30-24-19-8-4-7-18(23(27)32)22(19)28-13-29-24)15-5-3-6-17(11-15)31-25(33)16-9-10-21(34-2)20(26)12-16/h3-14H,1-2H3,(H2,27,32)(H,31,33)(H,28,29,30)/t14-/m1/s1
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n/an/a 0.410n/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))
BDBM116945
PNG
(US8637532, 672)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(O)c(F)c2)c1
Show InChI InChI=1S/C24H20FN5O3/c1-13(29-23-18-7-3-6-17(22(26)32)21(18)27-12-28-23)14-4-2-5-16(10-14)30-24(33)15-8-9-20(31)19(25)11-15/h2-13,31H,1H3,(H2,26,32)(H,30,33)(H,27,28,29)
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n/an/a 14n/an/an/an/an/an/a



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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)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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US Patent
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))
BDBM116399
PNG
(US8637532, 80)
Show SMILES CCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(F)cc4)c3)c2c1
Show InChI InChI=1S/C25H22FN5O3/c1-2-34-19-11-20(23(27)32)22-21(12-19)24(30-14-29-22)28-13-15-4-3-5-18(10-15)31-25(33)16-6-8-17(26)9-7-16/h3-12,14H,2,13H2,1H3,(H2,27,32)(H,31,33)(H,28,29,30)
PDB
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US Patent
n/an/a 11.8n/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