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23 similar compounds to monomer 116504

Compile data set for download or QSAR
Wt: 321.3
BDBM116324
Wt: 361.4
BDBM116792
Wt: 339.3
BDBM117012
Wt: 307.3
BDBM116384
Wt: 347.4
BDBM116693
Wt: 363.4
BDBM116701
Wt: 390.2
BDBM116506
Wt: 522.5
BDBM116511
Wt: 355.8
BDBM116515
Wt: 404.2
BDBM116519
Wt: 414.2
BDBM116524
Wt: 339.3
BDBM116525
Wt: 540.5
BDBM116527
Wt: 369.8
BDBM116531
Wt: 335.4
BDBM116554
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 116324,116792,117012,116384,116693,116701,116506,116511,116515,116519,116524,116525,116527,116531,116554   
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))
BDBM116324
PNG
(US8637532, 5)
Show SMILES Cc1ccc(cc1)C(CN)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C18H19N5O/c1-11-5-7-12(8-6-11)15(9-19)23-18-14-4-2-3-13(17(20)24)16(14)21-10-22-18/h2-8,10,15H,9,19H2,1H3,(H2,20,24)(H,21,22,23)
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n/an/a 0.600n/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))
BDBM116792
PNG
(US8637532, 511)
Show SMILES NC(=O)c1cccc2c(N[C@H](CN3CCCC3)c3ccccc3)ncnc12
Show InChI InChI=1S/C21H23N5O/c22-20(27)16-9-6-10-17-19(16)23-14-24-21(17)25-18(13-26-11-4-5-12-26)15-7-2-1-3-8-15/h1-3,6-10,14,18H,4-5,11-13H2,(H2,22,27)(H,23,24,25)/t18-/m1/s1
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n/an/a 16n/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))
BDBM116506
PNG
(US8637532, 187)
Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H17Cl2N5O/c1-22-8-15(10-5-6-13(19)14(20)7-10)25-18-12-4-2-3-11(17(21)26)16(12)23-9-24-18/h2-7,9,15,22H,8H2,1H3,(H2,21,26)(H,23,24,25)
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n/an/a 0.360n/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))
BDBM116511
PNG
(US8637532, 194)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C27H25F3N6O2/c1-36(2)14-22(35-25-21-8-4-7-20(24(31)37)23(21)32-15-33-25)17-5-3-6-19(13-17)34-26(38)16-9-11-18(12-10-16)27(28,29)30/h3-13,15,22H,14H2,1-2H3,(H2,31,37)(H,34,38)(H,32,33,35)
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n/an/a 0.550n/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))
BDBM116515
PNG
(US8637532, 199)
Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H18ClN5O/c1-21-9-15(11-4-2-5-12(19)8-11)24-18-14-7-3-6-13(17(20)25)16(14)22-10-23-18/h2-8,10,15,21H,9H2,1H3,(H2,20,25)(H,22,23,24)
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n/an/a 0.660n/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))
BDBM116519
PNG
(US8637532, 205)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H19Cl2N5O/c1-26(2)9-16(11-6-7-14(20)15(21)8-11)25-19-13-5-3-4-12(18(22)27)17(13)23-10-24-19/h3-8,10,16H,9H2,1-2H3,(H2,22,27)(H,23,24,25)
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n/an/a 0.790n/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))
BDBM116524
PNG
(US8637532, 210)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Br)c1
Show InChI InChI=1S/C19H20BrN5O/c1-25(2)10-16(12-5-3-6-13(20)9-12)24-19-15-8-4-7-14(18(21)26)17(15)22-11-23-19/h3-9,11,16H,10H2,1-2H3,(H2,21,26)(H,22,23,24)
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n/an/a 0.890n/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))
BDBM116525
PNG
(US8637532, 211)
Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(F)c1
Show InChI InChI=1S/C18H18FN5O/c1-21-9-15(11-4-2-5-12(19)8-11)24-18-14-7-3-6-13(17(20)25)16(14)22-10-23-18/h2-8,10,15,21H,9H2,1H3,(H2,20,25)(H,22,23,24)
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n/an/a 0.950n/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))
BDBM116527
PNG
(US8637532, 213)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2F)C(F)(F)F)c1
Show InChI InChI=1S/C27H24F4N6O2/c1-37(2)13-22(36-25-20-8-4-7-19(24(32)38)23(20)33-14-34-25)15-5-3-6-17(11-15)35-26(39)18-10-9-16(12-21(18)28)27(29,30)31/h3-12,14,22H,13H2,1-2H3,(H2,32,38)(H,35,39)(H,33,34,36)
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n/an/a 1n/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))
BDBM116531
PNG
(US8637532, 217)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H20ClN5O/c1-25(2)10-16(12-5-3-6-13(20)9-12)24-19-15-8-4-7-14(18(21)26)17(15)22-11-23-19/h3-9,11,16H,10H2,1-2H3,(H2,21,26)(H,22,23,24)
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n/an/a 1.10n/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))
BDBM116554
PNG
(US8637532, 245)
Show SMILES CN(C)C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C19H21N5O/c1-24(2)11-16(13-7-4-3-5-8-13)23-19-15-10-6-9-14(18(20)25)17(15)21-12-22-19/h3-10,12,16H,11H2,1-2H3,(H2,20,25)(H,21,22,23)/t16-/m1/s1
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n/an/a 3.5n/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))
BDBM116693
PNG
(US8637532, 397)
Show SMILES NC(=O)c1cccc2c(N[C@H](CNC3CC3)c3ccccc3)ncnc12
Show InChI InChI=1S/C20H21N5O/c21-19(26)15-7-4-8-16-18(15)23-12-24-20(16)25-17(11-22-14-9-10-14)13-5-2-1-3-6-13/h1-8,12,14,17,22H,9-11H2,(H2,21,26)(H,23,24,25)/t17-/m1/s1
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n/an/a 28n/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))
BDBM116701
PNG
(US8637532, 406)
Show SMILES CCCN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C21H25N5O/c1-3-12-26(2)13-18(15-8-5-4-6-9-15)25-21-17-11-7-10-16(20(22)27)19(17)23-14-24-21/h4-11,14,18H,3,12-13H2,1-2H3,(H2,22,27)(H,23,24,25)
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n/an/a 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))
BDBM116792
PNG
(US8637532, 511)
Show SMILES NC(=O)c1cccc2c(N[C@H](CN3CCCC3)c3ccccc3)ncnc12
Show InChI InChI=1S/C21H23N5O/c22-20(27)16-9-6-10-17-19(16)23-14-24-21(17)25-18(13-26-11-4-5-12-26)15-7-2-1-3-8-15/h1-3,6-10,14,18H,4-5,11-13H2,(H2,22,27)(H,23,24,25)/t18-/m1/s1
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n/an/a 84n/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))
BDBM117012
PNG
(US8637532, 739)
Show SMILES CNC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(F)c1
Show InChI InChI=1S/C18H18FN5O/c1-21-9-15(11-4-2-5-12(19)8-11)24-18-14-7-3-6-13(17(20)25)16(14)22-10-23-18/h2-8,10,15,21H,9H2,1H3,(H2,20,25)(H,22,23,24)/t15-/m1/s1
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n/an/a 0.600n/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))
BDBM116324
PNG
(US8637532, 5)
Show SMILES Cc1ccc(cc1)C(CN)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C18H19N5O/c1-11-5-7-12(8-6-11)15(9-19)23-18-14-4-2-3-13(17(20)24)16(14)21-10-22-18/h2-8,10,15H,9,19H2,1H3,(H2,20,24)(H,21,22,23)
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n/an/a 660n/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))
BDBM116384
PNG
(US8637532, 65)
Show SMILES NC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C17H17N5O/c18-9-14(11-5-2-1-3-6-11)22-17-13-8-4-7-12(16(19)23)15(13)20-10-21-17/h1-8,10,14H,9,18H2,(H2,19,23)(H,20,21,22)/t14-/m1/s1
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n/an/a 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))
BDBM116506
PNG
(US8637532, 187)
Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H17Cl2N5O/c1-22-8-15(10-5-6-13(19)14(20)7-10)25-18-12-4-2-3-11(17(21)26)16(12)23-9-24-18/h2-7,9,15,22H,8H2,1H3,(H2,21,26)(H,23,24,25)
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n/an/a 540n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


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


US Patent US8637532 (2014)


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


(Homo sapiens (Human))
BDBM116511
PNG
(US8637532, 194)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C27H25F3N6O2/c1-36(2)14-22(35-25-21-8-4-7-20(24(31)37)23(21)32-15-33-25)17-5-3-6-19(13-17)34-26(38)16-9-11-18(12-10-16)27(28,29)30/h3-13,15,22H,14H2,1-2H3,(H2,31,37)(H,34,38)(H,32,33,35)
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n/an/a 0.260n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


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


US Patent US8637532 (2014)


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


(Homo sapiens (Human))
BDBM116515
PNG
(US8637532, 199)
Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H18ClN5O/c1-21-9-15(11-4-2-5-12(19)8-11)24-18-14-7-3-6-13(17(20)25)16(14)22-10-23-18/h2-8,10,15,21H,9H2,1H3,(H2,20,25)(H,22,23,24)
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n/an/a 94n/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))
BDBM116519
PNG
(US8637532, 205)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H19Cl2N5O/c1-26(2)9-16(11-6-7-14(20)15(21)8-11)25-19-13-5-3-4-12(18(22)27)17(13)23-10-24-19/h3-8,10,16H,9H2,1-2H3,(H2,22,27)(H,23,24,25)
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n/an/a 140n/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))
BDBM116524
PNG
(US8637532, 210)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Br)c1
Show InChI InChI=1S/C19H20BrN5O/c1-25(2)10-16(12-5-3-6-13(20)9-12)24-19-15-8-4-7-14(18(21)26)17(15)22-11-23-19/h3-9,11,16H,10H2,1-2H3,(H2,21,26)(H,22,23,24)
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n/an/a 480n/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))
BDBM116525
PNG
(US8637532, 211)
Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(F)c1
Show InChI InChI=1S/C18H18FN5O/c1-21-9-15(11-4-2-5-12(19)8-11)24-18-14-7-3-6-13(17(20)25)16(14)22-10-23-18/h2-8,10,15,21H,9H2,1H3,(H2,20,25)(H,22,23,24)
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n/an/a 230n/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))
BDBM116527
PNG
(US8637532, 213)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2F)C(F)(F)F)c1
Show InChI InChI=1S/C27H24F4N6O2/c1-37(2)13-22(36-25-20-8-4-7-19(24(32)38)23(20)33-14-34-25)15-5-3-6-17(11-15)35-26(39)18-10-9-16(12-21(18)28)27(29,30)31/h3-12,14,22H,13H2,1-2H3,(H2,32,38)(H,35,39)(H,33,34,36)
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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))
BDBM116531
PNG
(US8637532, 217)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H20ClN5O/c1-25(2)10-16(12-5-3-6-13(20)9-12)24-19-15-8-4-7-14(18(21)26)17(15)22-11-23-19/h3-9,11,16H,10H2,1-2H3,(H2,21,26)(H,22,23,24)
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n/an/a 380n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


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


US Patent US8637532 (2014)


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


(Homo sapiens (Human))
BDBM116554
PNG
(US8637532, 245)
Show SMILES CN(C)C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C19H21N5O/c1-24(2)11-16(13-7-4-3-5-8-13)23-19-15-10-6-9-14(18(20)25)17(15)21-12-22-19/h3-10,12,16H,11H2,1-2H3,(H2,20,25)(H,21,22,23)/t16-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


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


US Patent US8637532 (2014)


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


(Homo sapiens (Human))
BDBM116693
PNG
(US8637532, 397)
Show SMILES NC(=O)c1cccc2c(N[C@H](CNC3CC3)c3ccccc3)ncnc12
Show InChI InChI=1S/C20H21N5O/c21-19(26)15-7-4-8-16-18(15)23-12-24-20(16)25-17(11-22-14-9-10-14)13-5-2-1-3-6-13/h1-8,12,14,17,22H,9-11H2,(H2,21,26)(H,23,24,25)/t17-/m1/s1
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n/an/a 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))
BDBM116701
PNG
(US8637532, 406)
Show SMILES CCCN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C21H25N5O/c1-3-12-26(2)13-18(15-8-5-4-6-9-15)25-21-17-11-7-10-16(20(22)27)19(17)23-14-24-21/h4-11,14,18H,3,12-13H2,1-2H3,(H2,22,27)(H,23,24,25)
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n/an/a 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))
BDBM116792
PNG
(US8637532, 511)
Show SMILES NC(=O)c1cccc2c(N[C@H](CN3CCCC3)c3ccccc3)ncnc12
Show InChI InChI=1S/C21H23N5O/c22-20(27)16-9-6-10-17-19(16)23-14-24-21(17)25-18(13-26-11-4-5-12-26)15-7-2-1-3-8-15/h1-3,6-10,14,18H,4-5,11-13H2,(H2,22,27)(H,23,24,25)/t18-/m1/s1
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n/an/a 690n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


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


US Patent US8637532 (2014)


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


(Homo sapiens (Human))
BDBM116384
PNG
(US8637532, 65)
Show SMILES NC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C17H17N5O/c18-9-14(11-5-2-1-3-6-11)22-17-13-8-4-7-12(16(19)23)15(13)20-10-21-17/h1-8,10,14H,9,18H2,(H2,19,23)(H,20,21,22)/t14-/m1/s1
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n/an/a 1.40n/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))
BDBM116554
PNG
(US8637532, 245)
Show SMILES CN(C)C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C19H21N5O/c1-24(2)11-16(13-7-4-3-5-8-13)23-19-15-10-6-9-14(18(20)25)17(15)21-12-22-19/h3-10,12,16H,11H2,1-2H3,(H2,20,25)(H,21,22,23)/t16-/m1/s1
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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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116384
PNG
(US8637532, 65)
Show SMILES NC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C17H17N5O/c18-9-14(11-5-2-1-3-6-11)22-17-13-8-4-7-12(16(19)23)15(13)20-10-21-17/h1-8,10,14H,9,18H2,(H2,19,23)(H,20,21,22)/t14-/m1/s1
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n/an/a 0.600n/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