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23 similar compounds to monomer 116415

Compile data set for download or QSAR
Wt: 321.3
BDBM116324
Wt: 307.3
BDBM116384
Wt: 322.3
BDBM116408
Wt: 427.4
BDBM116692
Wt: 337.3
BDBM116438
Wt: 367.4
BDBM116440
Wt: 308.3
BDBM116449
Wt: 294.3
BDBM116469
Wt: 351.4
BDBM116503
Wt: 337.3
BDBM116507
Wt: 470.5
BDBM116529
Wt: 484.5
BDBM116532
Wt: 351.4
BDBM116533
Wt: 351.4
BDBM116534
Wt: 351.4
BDBM116540
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 116324,116384,116408,116692,116438,116440,116449,116469,116503,116507,116529,116532,116533,116534,116540   
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))
BDBM116438
PNG
(US8637532, 119)
Show SMILES COc1ccccc1C(CN)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C18H19N5O2/c1-25-15-8-3-2-5-11(15)14(9-19)23-18-13-7-4-6-12(17(20)24)16(13)21-10-22-18/h2-8,10,14H,9,19H2,1H3,(H2,20,24)(H,21,22,23)
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n/an/a 48n/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))
BDBM116408
PNG
(US8637532, 89)
Show SMILES COc1cc(C(N)=O)c2ncnc(N[C@H](C)c3ccccc3)c2c1
Show InChI InChI=1S/C18H18N4O2/c1-11(12-6-4-3-5-7-12)22-18-15-9-13(24-2)8-14(17(19)23)16(15)20-10-21-18/h3-11H,1-2H3,(H2,19,23)(H,20,21,22)/t11-/m1/s1
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n/an/a 48.9n/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))
BDBM116438
PNG
(US8637532, 119)
Show SMILES COc1ccccc1C(CN)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C18H19N5O2/c1-25-15-8-3-2-5-11(15)14(9-19)23-18-13-7-4-6-12(17(20)24)16(13)21-10-22-18/h2-8,10,14H,9,19H2,1H3,(H2,20,24)(H,21,22,23)
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n/an/a 5.70n/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))
BDBM116440
PNG
(US8637532, 121)
Show SMILES COc1ccc(cc1OC)C(CN)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C19H21N5O3/c1-26-15-7-6-11(8-16(15)27-2)14(9-20)24-19-13-5-3-4-12(18(21)25)17(13)22-10-23-19/h3-8,10,14H,9,20H2,1-2H3,(H2,21,25)(H,22,23,24)
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n/an/a 0.5n/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))
BDBM116449
PNG
(US8637532, 130)
Show SMILES COc1ccc(CNc2ncnc3c(cccc23)C(N)=O)cc1
Show InChI InChI=1S/C17H16N4O2/c1-23-12-7-5-11(6-8-12)9-19-17-14-4-2-3-13(16(18)22)15(14)20-10-21-17/h2-8,10H,9H2,1H3,(H2,18,22)(H,19,20,21)
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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))
BDBM116469
PNG
(US8637532, 150)
Show SMILES NC(=O)c1cccc2c(NCc3ccc(O)cc3)ncnc12
Show InChI InChI=1S/C16H14N4O2/c17-15(22)12-2-1-3-13-14(12)19-9-20-16(13)18-8-10-4-6-11(21)7-5-10/h1-7,9,21H,8H2,(H2,17,22)(H,18,19,20)
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n/an/a 76.9n/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))
BDBM116503
PNG
(US8637532, 184)
Show SMILES CNCC(Nc1ncnc2c(cc(OC)cc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C19H21N5O2/c1-21-10-16(12-6-4-3-5-7-12)24-19-15-9-13(26-2)8-14(18(20)25)17(15)22-11-23-19/h3-9,11,16,21H,10H2,1-2H3,(H2,20,25)(H,22,23,24)
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n/an/a 0.120n/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))
BDBM116507
PNG
(US8637532, 188)
Show SMILES COc1cc(C(N)=O)c2ncnc(N[C@H](CN)c3ccccc3)c2c1
Show InChI InChI=1S/C18H19N5O2/c1-25-12-7-13(17(20)24)16-14(8-12)18(22-10-21-16)23-15(9-19)11-5-3-2-4-6-11/h2-8,10,15H,9,19H2,1H3,(H2,20,24)(H,21,22,23)/t15-/m1/s1
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n/an/a 0.390n/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))
BDBM116529
PNG
(US8637532, 215)
Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1
Show InChI InChI=1S/C26H26N6O3/c1-28-14-22(32-25-21-8-4-7-20(24(27)33)23(21)29-15-30-25)17-5-3-6-18(13-17)31-26(34)16-9-11-19(35-2)12-10-16/h3-13,15,22,28H,14H2,1-2H3,(H2,27,33)(H,31,34)(H,29,30,32)
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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))
BDBM116532
PNG
(US8637532, 219)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CN(C)C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C27H28N6O3/c1-33(2)15-23(32-26-22-9-5-8-21(25(28)34)24(22)29-16-30-26)18-6-4-7-19(14-18)31-27(35)17-10-12-20(36-3)13-11-17/h4-14,16,23H,15H2,1-3H3,(H2,28,34)(H,31,35)(H,29,30,32)
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n/an/a 1.30n/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))
BDBM116533
PNG
(US8637532, 221)
Show SMILES CNCC(Nc1ncnc2c(ccc(OC)c12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C19H21N5O2/c1-21-10-14(12-6-4-3-5-7-12)24-19-16-15(26-2)9-8-13(18(20)25)17(16)22-11-23-19/h3-9,11,14,21H,10H2,1-2H3,(H2,20,25)(H,22,23,24)
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n/an/a 1.30n/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))
BDBM116534
PNG
(US8637532, 222)
Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(OC)cc1
Show InChI InChI=1S/C19H21N5O2/c1-21-10-16(12-6-8-13(26-2)9-7-12)24-19-15-5-3-4-14(18(20)25)17(15)22-11-23-19/h3-9,11,16,21H,10H2,1-2H3,(H2,20,25)(H,22,23,24)
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n/an/a 1.30n/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))
BDBM116540
PNG
(US8637532, 230)
Show SMILES CNC[C@@H](Nc1ncnc2c(cc(OC)cc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C19H21N5O2/c1-21-10-16(12-6-4-3-5-7-12)24-19-15-9-13(26-2)8-14(18(20)25)17(15)22-11-23-19/h3-9,11,16,21H,10H2,1-2H3,(H2,20,25)(H,22,23,24)/t16-/m1/s1
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n/an/a 2.20n/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))
BDBM116692
PNG
(US8637532, 396)
Show SMILES CNCC(Nc1ncnc2c(cc(OCc3ccccc3)cc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C25H25N5O2/c1-27-14-22(18-10-6-3-7-11-18)30-25-21-13-19(32-15-17-8-4-2-5-9-17)12-20(24(26)31)23(21)28-16-29-25/h2-13,16,22,27H,14-15H2,1H3,(H2,26,31)(H,28,29,30)
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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
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))
BDBM116408
PNG
(US8637532, 89)
Show SMILES COc1cc(C(N)=O)c2ncnc(N[C@H](C)c3ccccc3)c2c1
Show InChI InChI=1S/C18H18N4O2/c1-11(12-6-4-3-5-7-12)22-18-15-9-13(24-2)8-14(17(19)23)16(15)20-10-21-18/h3-11H,1-2H3,(H2,19,23)(H,20,21,22)/t11-/m1/s1
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n/an/a 33n/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))
BDBM116438
PNG
(US8637532, 119)
Show SMILES COc1ccccc1C(CN)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C18H19N5O2/c1-25-15-8-3-2-5-11(15)14(9-19)23-18-13-7-4-6-12(17(20)24)16(13)21-10-22-18/h2-8,10,14H,9,19H2,1H3,(H2,20,24)(H,21,22,23)
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n/an/a 1.50E+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))
BDBM116440
PNG
(US8637532, 121)
Show SMILES COc1ccc(cc1OC)C(CN)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C19H21N5O3/c1-26-15-7-6-11(8-16(15)27-2)14(9-20)24-19-13-5-3-4-12(18(21)25)17(13)22-10-23-19/h3-8,10,14H,9,20H2,1-2H3,(H2,21,25)(H,22,23,24)
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n/an/a 4.90E+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))
BDBM116449
PNG
(US8637532, 130)
Show SMILES COc1ccc(CNc2ncnc3c(cccc23)C(N)=O)cc1
Show InChI InChI=1S/C17H16N4O2/c1-23-12-7-5-11(6-8-12)9-19-17-14-4-2-3-13(16(18)22)15(14)20-10-21-17/h2-8,10H,9H2,1H3,(H2,18,22)(H,19,20,21)
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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))
BDBM116469
PNG
(US8637532, 150)
Show SMILES NC(=O)c1cccc2c(NCc3ccc(O)cc3)ncnc12
Show InChI InChI=1S/C16H14N4O2/c17-15(22)12-2-1-3-13-14(12)19-9-20-16(13)18-8-10-4-6-11(21)7-5-10/h1-7,9,21H,8H2,(H2,17,22)(H,18,19,20)
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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))
BDBM116503
PNG
(US8637532, 184)
Show SMILES CNCC(Nc1ncnc2c(cc(OC)cc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C19H21N5O2/c1-21-10-16(12-6-4-3-5-7-12)24-19-15-9-13(26-2)8-14(18(20)25)17(15)22-11-23-19/h3-9,11,16,21H,10H2,1-2H3,(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))
BDBM116507
PNG
(US8637532, 188)
Show SMILES COc1cc(C(N)=O)c2ncnc(N[C@H](CN)c3ccccc3)c2c1
Show InChI InChI=1S/C18H19N5O2/c1-25-12-7-13(17(20)24)16-14(8-12)18(22-10-21-16)23-15(9-19)11-5-3-2-4-6-11/h2-8,10,15H,9,19H2,1H3,(H2,20,24)(H,21,22,23)/t15-/m1/s1
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n/an/a 48n/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))
BDBM116529
PNG
(US8637532, 215)
Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1
Show InChI InChI=1S/C26H26N6O3/c1-28-14-22(32-25-21-8-4-7-20(24(27)33)23(21)29-15-30-25)17-5-3-6-18(13-17)31-26(34)16-9-11-19(35-2)12-10-16/h3-13,15,22,28H,14H2,1-2H3,(H2,27,33)(H,31,34)(H,29,30,32)
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n/an/a 0.240n/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))
BDBM116532
PNG
(US8637532, 219)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CN(C)C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C27H28N6O3/c1-33(2)15-23(32-26-22-9-5-8-21(25(28)34)24(22)29-16-30-26)18-6-4-7-19(14-18)31-27(35)17-10-12-20(36-3)13-11-17/h4-14,16,23H,15H2,1-3H3,(H2,28,34)(H,31,35)(H,29,30,32)
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n/an/a 0.670n/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))
BDBM116533
PNG
(US8637532, 221)
Show SMILES CNCC(Nc1ncnc2c(ccc(OC)c12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C19H21N5O2/c1-21-10-14(12-6-4-3-5-7-12)24-19-16-15(26-2)9-8-13(18(20)25)17(16)22-11-23-19/h3-9,11,14,21H,10H2,1-2H3,(H2,20,25)(H,22,23,24)
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n/an/a 670n/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))
BDBM116534
PNG
(US8637532, 222)
Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(OC)cc1
Show InChI InChI=1S/C19H21N5O2/c1-21-10-16(12-6-8-13(26-2)9-7-12)24-19-15-5-3-4-14(18(20)25)17(15)22-11-23-19/h3-9,11,16,21H,10H2,1-2H3,(H2,20,25)(H,22,23,24)
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n/an/a 2.40E+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))
BDBM116692
PNG
(US8637532, 396)
Show SMILES CNCC(Nc1ncnc2c(cc(OCc3ccccc3)cc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C25H25N5O2/c1-27-14-22(18-10-6-3-7-11-18)30-25-21-13-19(32-15-17-8-4-2-5-9-17)12-20(24(26)31)23(21)28-16-29-25/h2-13,16,22,27H,14-15H2,1H3,(H2,26,31)(H,28,29,30)
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n/an/a 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))
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
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