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28 similar compounds to monomer 116435

Compile data set for download or QSAR
Wt: 376.2
BDBM116321
Wt: 341.7
BDBM116323
Wt: 321.3
BDBM116324
Wt: 339.3
BDBM117012
Wt: 307.3
BDBM116384
Wt: 347.4
BDBM116693
Wt: 363.4
BDBM116701
Wt: 314.2
BDBM116704
Wt: 296.2
BDBM116446
Wt: 292.3
BDBM116451
Wt: 314.2
BDBM116731
Wt: 306.3
BDBM116733
Wt: 292.3
BDBM116490
Wt: 339.3
BDBM116525
Wt: 328.3
BDBM116735
Displayed 1 to 15 (of 28 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 116321,116323,116324,117012,116384,116693,116701,116704,116446,116451,116731,116733,116490,116525,116735   
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))
BDBM116321
PNG
(US8637532, 2)
Show SMILES NCC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H15Cl2N5O/c18-12-5-4-9(6-13(12)19)14(7-20)24-17-11-3-1-2-10(16(21)25)15(11)22-8-23-17/h1-6,8,14H,7,20H2,(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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM116735
PNG
(US8637532, 445)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C17H14F2N4O/c1-9(10-5-11(18)7-12(19)6-10)23-17-14-4-2-3-13(16(20)24)15(14)21-8-22-17/h2-9H,1H3,(H2,20,24)(H,21,22,23)
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n/an/a 6.10E+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))
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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116446
PNG
(US8637532, 127)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(F)c3)ncnc12
Show InChI InChI=1S/C16H13FN4O/c17-11-4-1-3-10(7-11)8-19-16-13-6-2-5-12(15(18)22)14(13)20-9-21-16/h1-7,9H,8H2,(H2,18,22)(H,19,20,21)
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n/an/a 31.6n/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))
BDBM116451
PNG
(US8637532, 132)
Show SMILES C[C@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C17H16N4O/c1-11(12-6-3-2-4-7-12)21-17-14-9-5-8-13(16(18)22)15(14)19-10-20-17/h2-11H,1H3,(H2,18,22)(H,19,20,21)/t11-/m0/s1
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n/an/a 2.84E+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))
BDBM116490
PNG
(US8637532, 171)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C17H16N4O/c1-11(12-6-3-2-4-7-12)21-17-14-9-5-8-13(16(18)22)15(14)19-10-20-17/h2-11H,1H3,(H2,18,22)(H,19,20,21)/t11-/m1/s1
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n/an/a 85n/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))
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))
BDBM116704
PNG
(US8637532, 411)
Show SMILES NC(=O)c1cccc2c(NCc3ccc(F)c(F)c3)ncnc12
Show InChI InChI=1S/C16H12F2N4O/c17-12-5-4-9(6-13(12)18)7-20-16-11-3-1-2-10(15(19)23)14(11)21-8-22-16/h1-6,8H,7H2,(H2,19,23)(H,20,21,22)
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n/an/a 31n/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))
BDBM116731
PNG
(US8637532, 441)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(F)c3F)ncnc12
Show InChI InChI=1S/C16H12F2N4O/c17-12-6-1-3-9(13(12)18)7-20-16-11-5-2-4-10(15(19)23)14(11)21-8-22-16/h1-6,8H,7H2,(H2,19,23)(H,20,21,22)
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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))
BDBM116733
PNG
(US8637532, 443)
Show SMILES CC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C18H18N4O/c1-2-15(12-7-4-3-5-8-12)22-18-14-10-6-9-13(17(19)23)16(14)20-11-21-18/h3-11,15H,2H2,1H3,(H2,19,23)(H,20,21,22)/t15-/m1/s1
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n/an/a 40n/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))
BDBM116735
PNG
(US8637532, 445)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C17H14F2N4O/c1-9(10-5-11(18)7-12(19)6-10)23-17-14-4-2-3-13(16(20)24)15(14)21-8-22-17/h2-9H,1H3,(H2,20,24)(H,21,22,23)
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n/an/a 41n/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))
BDBM116321
PNG
(US8637532, 2)
Show SMILES NCC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H15Cl2N5O/c18-12-5-4-9(6-13(12)19)14(7-20)24-17-11-3-1-2-10(16(21)25)15(11)22-8-23-17/h1-6,8,14H,7,20H2,(H2,21,25)(H,22,23,24)
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n/an/a 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 A


(Homo sapiens (Human))
BDBM116323
PNG
(US8637532, 4)
Show SMILES NCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H16ClN5O/c18-11-4-1-3-10(7-11)14(8-19)23-17-13-6-2-5-12(16(20)24)15(13)21-9-22-17/h1-7,9,14H,8,19H2,(H2,20,24)(H,21,22,23)
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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))
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))
BDBM116446
PNG
(US8637532, 127)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(F)c3)ncnc12
Show InChI InChI=1S/C16H13FN4O/c17-11-4-1-3-10(7-11)8-19-16-13-6-2-5-12(15(18)22)14(13)20-9-21-16/h1-7,9H,8H2,(H2,18,22)(H,19,20,21)
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n/an/a 760n/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))
BDBM116451
PNG
(US8637532, 132)
Show SMILES C[C@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C17H16N4O/c1-11(12-6-3-2-4-7-12)21-17-14-9-5-8-13(16(18)22)15(14)19-10-20-17/h2-11H,1H3,(H2,18,22)(H,19,20,21)/t11-/m0/s1
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n/an/a 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 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))
BDBM116490
PNG
(US8637532, 171)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C17H16N4O/c1-11(12-6-3-2-4-7-12)21-17-14-9-5-8-13(16(18)22)15(14)19-10-20-17/h2-11H,1H3,(H2,18,22)(H,19,20,21)/t11-/m1/s1
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n/an/a 2n/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))
BDBM116704
PNG
(US8637532, 411)
Show SMILES NC(=O)c1cccc2c(NCc3ccc(F)c(F)c3)ncnc12
Show InChI InChI=1S/C16H12F2N4O/c17-12-5-4-9(6-13(12)18)7-20-16-11-3-1-2-10(15(19)23)14(11)21-8-22-16/h1-6,8H,7H2,(H2,19,23)(H,20,21,22)
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n/an/a 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 A


(Homo sapiens (Human))
BDBM116731
PNG
(US8637532, 441)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(F)c3F)ncnc12
Show InChI InChI=1S/C16H12F2N4O/c17-12-6-1-3-9(13(12)18)7-20-16-11-5-2-4-10(15(19)23)14(11)21-8-22-16/h1-6,8H,7H2,(H2,19,23)(H,20,21,22)
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n/an/a 1.90E+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 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))
BDBM116446
PNG
(US8637532, 127)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(F)c3)ncnc12
Show InChI InChI=1S/C16H13FN4O/c17-11-4-1-3-10(7-11)8-19-16-13-6-2-5-12(15(18)22)14(13)20-9-21-16/h1-7,9H,8H2,(H2,18,22)(H,19,20,21)
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n/an/a 1.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


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


US Patent US8637532 (2014)


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


(Homo sapiens (Human))
BDBM116490
PNG
(US8637532, 171)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C17H16N4O/c1-11(12-6-3-2-4-7-12)21-17-14-9-5-8-13(16(18)22)15(14)19-10-20-17/h2-11H,1H3,(H2,18,22)(H,19,20,21)/t11-/m1/s1
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n/an/a 0.820n/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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM116731
PNG
(US8637532, 441)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(F)c3F)ncnc12
Show InChI InChI=1S/C16H12F2N4O/c17-12-6-1-3-9(13(12)18)7-20-16-11-5-2-4-10(15(19)23)14(11)21-8-22-16/h1-6,8H,7H2,(H2,19,23)(H,20,21,22)
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n/an/a 8.70E+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))
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