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36 similar compounds to monomer 116507

Compile data set for download or QSAR
Wt: 321.3
BDBM116324
Wt: 477.5
BDBM116785
Wt: 422.5
BDBM116786
Wt: 395.4
BDBM116795
Wt: 385.8
BDBM117011
Wt: 307.3
BDBM116384
Wt: 322.3
BDBM116408
Wt: 427.4
BDBM116692
Wt: 337.3
BDBM116415
Wt: 337.3
BDBM116438
Wt: 367.4
BDBM116440
Wt: 411.4
BDBM116729
Wt: 308.3
BDBM116464
Wt: 351.4
BDBM116503
Wt: 369.3
BDBM116509
Displayed 1 to 15 (of 36 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 116324,116785,116786,116795,117011,116384,116408,116692,116415,116438,116440,116729,116464,116503,116509   
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))
BDBM116415
PNG
(US8637532, 96)
Show SMILES COc1ccc(cc1)C(CN)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C18H19N5O2/c1-25-12-7-5-11(6-8-12)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 0.700n/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))
BDBM116464
PNG
(US8637532, 145)
Show SMILES COc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C17H16N4O2/c1-23-12-5-2-4-11(8-12)9-19-17-14-7-3-6-13(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 23.7n/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))
BDBM116509
PNG
(US8637532, 190)
Show SMILES CNCC(Nc1ncnc2c(cc(OC)cc12)C(N)=O)c1cccc(F)c1
Show InChI InChI=1S/C19H20FN5O2/c1-22-9-16(11-4-3-5-12(20)6-11)25-19-15-8-13(27-2)7-14(18(21)26)17(15)23-10-24-19/h3-8,10,16,22H,9H2,1-2H3,(H2,21,26)(H,23,24,25)
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n/an/a 0.420n/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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116729
PNG
(US8637532, 438)
Show SMILES CC(C)Oc1cc(C(N)=O)c2ncnc(NC(CN(C)C)c3cccc(F)c3)c2c1
Show InChI InChI=1S/C22H26FN5O2/c1-13(2)30-16-9-17(21(24)29)20-18(10-16)22(26-12-25-20)27-19(11-28(3)4)14-6-5-7-15(23)8-14/h5-10,12-13,19H,11H2,1-4H3,(H2,24,29)(H,25,26,27)
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n/an/a 38n/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))
BDBM116785
PNG
(US8637532, 502)
Show SMILES CN(C)CC(Nc1ncnc2c(cc(OCc3ccc(F)cc3)cc12)C(N)=O)c1cccc(F)c1
Show InChI InChI=1S/C26H25F2N5O2/c1-33(2)13-23(17-4-3-5-19(28)10-17)32-26-22-12-20(35-14-16-6-8-18(27)9-7-16)11-21(25(29)34)24(22)30-15-31-26/h3-12,15,23H,13-14H2,1-2H3,(H2,29,34)(H,30,31,32)
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n/an/a 76n/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))
BDBM116786
PNG
(US8637532, 503)
Show SMILES CNCC(Nc1ncnc2c(cc(OCCCN(C)C)cc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C23H30N6O2/c1-25-14-20(16-8-5-4-6-9-16)28-23-19-13-17(31-11-7-10-29(2)3)12-18(22(24)30)21(19)26-15-27-23/h4-6,8-9,12-13,15,20,25H,7,10-11,14H2,1-3H3,(H2,24,30)(H,26,27,28)
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n/an/a 77n/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))
BDBM116795
PNG
(US8637532, 515)
Show SMILES COc1cc(C(N)=O)c2ncnc(NC(CN(C)C)c3ccccc3OC)c2c1
Show InChI InChI=1S/C21H25N5O3/c1-26(2)11-17(14-7-5-6-8-18(14)29-4)25-21-16-10-13(28-3)9-15(20(22)27)19(16)23-12-24-21/h5-10,12,17H,11H2,1-4H3,(H2,22,27)(H,23,24,25)
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n/an/a 86n/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))
BDBM117011
PNG
(US8637532, 738)
Show SMILES CNC[C@@H](Nc1ncnc2c(cc(OC)cc12)C(N)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H20ClN5O2/c1-22-9-16(11-4-3-5-12(20)6-11)25-19-15-8-13(27-2)7-14(18(21)26)17(15)23-10-24-19/h3-8,10,16,22H,9H2,1-2H3,(H2,21,26)(H,23,24,25)/t16-/m1/s1
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n/an/a 0.200n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US8637532 (2014)


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


(Homo sapiens (Human))
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))
BDBM116415
PNG
(US8637532, 96)
Show SMILES COc1ccc(cc1)C(CN)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C18H19N5O2/c1-25-12-7-5-11(6-8-12)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 2.00E+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))
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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US Patent
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))
BDBM116464
PNG
(US8637532, 145)
Show SMILES COc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C17H16N4O2/c1-23-12-5-2-4-11(8-12)9-19-17-14-7-3-6-13(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 350n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


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


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase 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))
BDBM116509
PNG
(US8637532, 190)
Show SMILES CNCC(Nc1ncnc2c(cc(OC)cc12)C(N)=O)c1cccc(F)c1
Show InChI InChI=1S/C19H20FN5O2/c1-22-9-16(11-4-3-5-12(20)6-11)25-19-15-8-13(27-2)7-14(18(21)26)17(15)23-10-24-19/h3-8,10,16,22H,9H2,1-2H3,(H2,21,26)(H,23,24,25)
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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))
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 A


(Homo sapiens (Human))
BDBM116729
PNG
(US8637532, 438)
Show SMILES CC(C)Oc1cc(C(N)=O)c2ncnc(NC(CN(C)C)c3cccc(F)c3)c2c1
Show InChI InChI=1S/C22H26FN5O2/c1-13(2)30-16-9-17(21(24)29)20-18(10-16)22(26-12-25-20)27-19(11-28(3)4)14-6-5-7-15(23)8-14/h5-10,12-13,19H,11H2,1-4H3,(H2,24,29)(H,25,26,27)
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n/an/a 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))
BDBM116785
PNG
(US8637532, 502)
Show SMILES CN(C)CC(Nc1ncnc2c(cc(OCc3ccc(F)cc3)cc12)C(N)=O)c1cccc(F)c1
Show InChI InChI=1S/C26H25F2N5O2/c1-33(2)13-23(17-4-3-5-19(28)10-17)32-26-22-12-20(35-14-16-6-8-18(27)9-7-16)11-21(25(29)34)24(22)30-15-31-26/h3-12,15,23H,13-14H2,1-2H3,(H2,29,34)(H,30,31,32)
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n/an/a 300n/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))
BDBM116786
PNG
(US8637532, 503)
Show SMILES CNCC(Nc1ncnc2c(cc(OCCCN(C)C)cc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C23H30N6O2/c1-25-14-20(16-8-5-4-6-9-16)28-23-19-13-17(31-11-7-10-29(2)3)12-18(22(24)30)21(19)26-15-27-23/h4-6,8-9,12-13,15,20,25H,7,10-11,14H2,1-3H3,(H2,24,30)(H,26,27,28)
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n/an/a 1.00E+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))
BDBM116795
PNG
(US8637532, 515)
Show SMILES COc1cc(C(N)=O)c2ncnc(NC(CN(C)C)c3ccccc3OC)c2c1
Show InChI InChI=1S/C21H25N5O3/c1-26(2)11-17(14-7-5-6-8-18(14)29-4)25-21-16-10-13(28-3)9-15(20(22)27)19(16)23-12-24-21/h5-10,12,17H,11H2,1-4H3,(H2,22,27)(H,23,24,25)
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n/an/a 470n/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