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17 similar compounds to monomer 116622

Compile data set for download or QSAR
Wt: 485.5
BDBM116956
Wt: 485.5
BDBM116770
Wt: 587.5
BDBM116778
Wt: 485.5
BDBM116821
Wt: 520.3
BDBM116985
Wt: 519.3
BDBM116513
Wt: 533.4
BDBM116514
Wt: 573.4
BDBM116547
Wt: 547.4
BDBM116573
Wt: 491.4
BDBM116583
Wt: 508.3
BDBM116588
Wt: 523.5
BDBM116594
Wt: 491.4
BDBM116606
Wt: 559.4
BDBM116633
Wt: 471.5
BDBM116639
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 116956,116770,116778,116821,116985,116513,116514,116547,116573,116583,116588,116594,116606,116633,116639   
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))
BDBM116513
PNG
(US8637532, 196)
Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C25H23BrN6O2/c1-28-13-21(32-24-20-7-3-6-19(23(27)33)22(20)29-14-30-24)16-4-2-5-18(12-16)31-25(34)15-8-10-17(26)11-9-15/h2-12,14,21,28H,13H2,1H3,(H2,27,33)(H,31,34)(H,29,30,32)
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n/an/a 0.610n/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))
BDBM116770
PNG
(US8637532, 487)
Show SMILES COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1
Show InChI InChI=1S/C27H27N5O4/c1-35-14-13-23(32-26-22-8-4-7-21(25(28)33)24(22)29-16-30-26)18-5-3-6-19(15-18)31-27(34)17-9-11-20(36-2)12-10-17/h3-12,15-16,23H,13-14H2,1-2H3,(H2,28,33)(H,31,34)(H,29,30,32)
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n/an/a 9.60E+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))
BDBM116547
PNG
(US8637532, 238)
Show SMILES CN(CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)CC=C
Show InChI InChI=1S/C29H29BrN6O2/c1-3-15-36(2)16-14-25(35-28-24-9-5-8-23(27(31)37)26(24)32-18-33-28)20-6-4-7-22(17-20)34-29(38)19-10-12-21(30)13-11-19/h3-13,17-18,25H,1,14-16H2,2H3,(H2,31,37)(H,34,38)(H,32,33,35)
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n/an/a 3.20n/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))
BDBM116573
PNG
(US8637532, 265)
Show SMILES CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C27H27BrN6O2/c1-34(2)14-13-23(33-26-22-8-4-7-21(25(29)35)24(22)30-16-31-26)18-5-3-6-20(15-18)32-27(36)17-9-11-19(28)12-10-17/h3-12,15-16,23H,13-14H2,1-2H3,(H2,29,35)(H,32,36)(H,30,31,33)
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n/an/a 5.10n/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))
BDBM116583
PNG
(US8637532, 275)
Show SMILES COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2c(F)cccc2F)c1
Show InChI InChI=1S/C26H23F2N5O3/c1-36-12-11-21(33-25-18-8-3-7-17(24(29)34)23(18)30-14-31-25)15-5-2-6-16(13-15)32-26(35)22-19(27)9-4-10-20(22)28/h2-10,13-14,21H,11-12H2,1H3,(H2,29,34)(H,32,35)(H,30,31,33)
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n/an/a 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))
BDBM116588
PNG
(US8637532, 280)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)c(F)c2)c1
Show InChI InChI=1S/C24H19BrFN5O2/c1-13(30-23-18-7-3-6-17(22(27)32)21(18)28-12-29-23)14-4-2-5-16(10-14)31-24(33)15-8-9-19(25)20(26)11-15/h2-13H,1H3,(H2,27,32)(H,31,33)(H,28,29,30)
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n/an/a 8.10n/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))
BDBM116594
PNG
(US8637532, 286)
Show SMILES COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C27H24F3N5O3/c1-38-13-12-22(35-25-21-7-3-6-20(24(31)36)23(21)32-15-33-25)17-4-2-5-19(14-17)34-26(37)16-8-10-18(11-9-16)27(28,29)30/h2-11,14-15,22H,12-13H2,1H3,(H2,31,36)(H,34,37)(H,32,33,35)
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n/an/a 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))
BDBM116606
PNG
(US8637532, 300)
Show SMILES COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cccc(F)c2F)c1
Show InChI InChI=1S/C26H23F2N5O3/c1-36-12-11-21(33-25-19-9-3-8-18(24(29)34)23(19)30-14-31-25)15-5-2-6-16(13-15)32-26(35)17-7-4-10-20(27)22(17)28/h2-10,13-14,21H,11-12H2,1H3,(H2,29,34)(H,32,35)(H,30,31,33)
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n/an/a 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))
BDBM116633
PNG
(US8637532, 332)
Show SMILES NC(=O)c1cccc2c(NC(CCN3CCC3)c3cccc(NC(=O)c4ccc(Br)cc4)c3)ncnc12
Show InChI InChI=1S/C28H27BrN6O2/c29-20-10-8-18(9-11-20)28(37)33-21-5-1-4-19(16-21)24(12-15-35-13-3-14-35)34-27-23-7-2-6-22(26(30)36)25(23)31-17-32-27/h1-2,4-11,16-17,24H,3,12-15H2,(H2,30,36)(H,33,37)(H,31,32,34)
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n/an/a 16n/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))
BDBM116639
PNG
(US8637532, 338)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCO)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C26H25N5O4/c1-35-19-10-8-16(9-11-19)26(34)30-18-5-2-4-17(14-18)22(12-13-32)31-25-21-7-3-6-20(24(27)33)23(21)28-15-29-25/h2-11,14-15,22,32H,12-13H2,1H3,(H2,27,33)(H,30,34)(H,28,29,31)
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n/an/a 17n/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))
BDBM116770
PNG
(US8637532, 487)
Show SMILES COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1
Show InChI InChI=1S/C27H27N5O4/c1-35-14-13-23(32-26-22-8-4-7-21(25(28)33)24(22)29-16-30-26)18-5-3-6-19(15-18)31-27(34)17-9-11-20(36-2)12-10-17/h3-12,15-16,23H,13-14H2,1-2H3,(H2,28,33)(H,31,34)(H,29,30,32)
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n/an/a 66n/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))
BDBM116778
PNG
(US8637532, 495)
Show SMILES NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4ccc(Br)cc4)c3)ncnc12
Show InChI InChI=1S/C30H31BrN6O2/c31-22-12-10-20(11-13-22)30(39)35-23-7-4-6-21(18-23)26(14-17-37-15-2-1-3-16-37)36-29-25-9-5-8-24(28(32)38)27(25)33-19-34-29/h4-13,18-19,26H,1-3,14-17H2,(H2,32,38)(H,35,39)(H,33,34,36)
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n/an/a 72n/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))
BDBM116821
PNG
(US8637532, 547)
Show SMILES COCC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1
Show InChI InChI=1S/C27H27N5O4/c1-35-14-13-23(32-26-22-8-4-7-21(25(28)33)24(22)29-16-30-26)18-5-3-6-19(15-18)31-27(34)17-9-11-20(36-2)12-10-17/h3-12,15-16,23H,13-14H2,1-2H3,(H2,28,33)(H,31,34)(H,29,30,32)/t23-/m1/s1
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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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116956
PNG
(US8637532, 683)
Show SMILES COCC[C@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1
Show InChI InChI=1S/C27H27N5O4/c1-35-14-13-23(32-26-22-8-4-7-21(25(28)33)24(22)29-16-30-26)18-5-3-6-19(15-18)31-27(34)17-9-11-20(36-2)12-10-17/h3-12,15-16,23H,13-14H2,1-2H3,(H2,28,33)(H,31,34)(H,29,30,32)/t23-/m0/s1
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n/an/a 780n/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))
BDBM116513
PNG
(US8637532, 196)
Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C25H23BrN6O2/c1-28-13-21(32-24-20-7-3-6-19(23(27)33)22(20)29-14-30-24)16-4-2-5-18(12-16)31-25(34)15-8-10-17(26)11-9-15/h2-12,14,21,28H,13H2,1H3,(H2,27,33)(H,31,34)(H,29,30,32)
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n/an/a 0.170n/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))
BDBM116514
PNG
(US8637532, 197)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C26H25BrN6O2/c1-33(2)14-22(32-25-21-8-4-7-20(24(28)34)23(21)29-15-30-25)17-5-3-6-19(13-17)31-26(35)16-9-11-18(27)12-10-16/h3-13,15,22H,14H2,1-2H3,(H2,28,34)(H,31,35)(H,29,30,32)
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n/an/a 0.580n/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))
BDBM116547
PNG
(US8637532, 238)
Show SMILES CN(CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)CC=C
Show InChI InChI=1S/C29H29BrN6O2/c1-3-15-36(2)16-14-25(35-28-24-9-5-8-23(27(31)37)26(24)32-18-33-28)20-6-4-7-22(17-20)34-29(38)19-10-12-21(30)13-11-19/h3-13,17-18,25H,1,14-16H2,2H3,(H2,31,37)(H,34,38)(H,32,33,35)
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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))
BDBM116573
PNG
(US8637532, 265)
Show SMILES CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C27H27BrN6O2/c1-34(2)14-13-23(33-26-22-8-4-7-21(25(29)35)24(22)30-16-31-26)18-5-3-6-20(15-18)32-27(36)17-9-11-19(28)12-10-17/h3-12,15-16,23H,13-14H2,1-2H3,(H2,29,35)(H,32,36)(H,30,31,33)
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n/an/a 0.120n/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))
BDBM116583
PNG
(US8637532, 275)
Show SMILES COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2c(F)cccc2F)c1
Show InChI InChI=1S/C26H23F2N5O3/c1-36-12-11-21(33-25-18-8-3-7-17(24(29)34)23(18)30-14-31-25)15-5-2-6-16(13-15)32-26(35)22-19(27)9-4-10-20(22)28/h2-10,13-14,21H,11-12H2,1H3,(H2,29,34)(H,32,35)(H,30,31,33)
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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))
BDBM116588
PNG
(US8637532, 280)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)c(F)c2)c1
Show InChI InChI=1S/C24H19BrFN5O2/c1-13(30-23-18-7-3-6-17(22(27)32)21(18)28-12-29-23)14-4-2-5-16(10-14)31-24(33)15-8-9-19(25)20(26)11-15/h2-13H,1H3,(H2,27,32)(H,31,33)(H,28,29,30)
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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))
BDBM116594
PNG
(US8637532, 286)
Show SMILES COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C27H24F3N5O3/c1-38-13-12-22(35-25-21-7-3-6-20(24(31)36)23(21)32-15-33-25)17-4-2-5-19(14-17)34-26(37)16-8-10-18(11-9-16)27(28,29)30/h2-11,14-15,22H,12-13H2,1H3,(H2,31,36)(H,34,37)(H,32,33,35)
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n/an/a 0.180n/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))
BDBM116606
PNG
(US8637532, 300)
Show SMILES COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cccc(F)c2F)c1
Show InChI InChI=1S/C26H23F2N5O3/c1-36-12-11-21(33-25-19-9-3-8-18(24(29)34)23(19)30-14-31-25)15-5-2-6-16(13-15)32-26(35)17-7-4-10-20(27)22(17)28/h2-10,13-14,21H,11-12H2,1H3,(H2,29,34)(H,32,35)(H,30,31,33)
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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))
BDBM116633
PNG
(US8637532, 332)
Show SMILES NC(=O)c1cccc2c(NC(CCN3CCC3)c3cccc(NC(=O)c4ccc(Br)cc4)c3)ncnc12
Show InChI InChI=1S/C28H27BrN6O2/c29-20-10-8-18(9-11-20)28(37)33-21-5-1-4-19(16-21)24(12-15-35-13-3-14-35)34-27-23-7-2-6-22(26(30)36)25(23)31-17-32-27/h1-2,4-11,16-17,24H,3,12-15H2,(H2,30,36)(H,33,37)(H,31,32,34)
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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))
BDBM116639
PNG
(US8637532, 338)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCO)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C26H25N5O4/c1-35-19-10-8-16(9-11-19)26(34)30-18-5-2-4-17(14-18)22(12-13-32)31-25-21-7-3-6-20(24(27)33)23(21)28-15-29-25/h2-11,14-15,22,32H,12-13H2,1H3,(H2,27,33)(H,30,34)(H,28,29,31)
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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))
BDBM116770
PNG
(US8637532, 487)
Show SMILES COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1
Show InChI InChI=1S/C27H27N5O4/c1-35-14-13-23(32-26-22-8-4-7-21(25(28)33)24(22)29-16-30-26)18-5-3-6-19(15-18)31-27(34)17-9-11-20(36-2)12-10-17/h3-12,15-16,23H,13-14H2,1-2H3,(H2,28,33)(H,31,34)(H,29,30,32)
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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))
BDBM116778
PNG
(US8637532, 495)
Show SMILES NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4ccc(Br)cc4)c3)ncnc12
Show InChI InChI=1S/C30H31BrN6O2/c31-22-12-10-20(11-13-22)30(39)35-23-7-4-6-21(18-23)26(14-17-37-15-2-1-3-16-37)36-29-25-9-5-8-24(28(32)38)27(25)33-19-34-29/h4-13,18-19,26H,1-3,14-17H2,(H2,32,38)(H,35,39)(H,33,34,36)
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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))
BDBM116821
PNG
(US8637532, 547)
Show SMILES COCC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1
Show InChI InChI=1S/C27H27N5O4/c1-35-14-13-23(32-26-22-8-4-7-21(25(28)33)24(22)29-16-30-26)18-5-3-6-19(15-18)31-27(34)17-9-11-20(36-2)12-10-17/h3-12,15-16,23H,13-14H2,1-2H3,(H2,28,33)(H,31,34)(H,29,30,32)/t23-/m1/s1
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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))
BDBM116956
PNG
(US8637532, 683)
Show SMILES COCC[C@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1
Show InChI InChI=1S/C27H27N5O4/c1-35-14-13-23(32-26-22-8-4-7-21(25(28)33)24(22)29-16-30-26)18-5-3-6-19(15-18)31-27(34)17-9-11-20(36-2)12-10-17/h3-12,15-16,23H,13-14H2,1-2H3,(H2,28,33)(H,31,34)(H,29,30,32)/t23-/m0/s1
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n/an/a 340n/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))
BDBM116985
PNG
(US8637532, 712)
Show SMILES COCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C25H22BrN5O3/c1-34-13-21(31-24-20-7-3-6-19(23(27)32)22(20)28-14-29-24)16-4-2-5-18(12-16)30-25(33)15-8-10-17(26)11-9-15/h2-12,14,21H,13H2,1H3,(H2,27,32)(H,30,33)(H,28,29,31)
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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))
BDBM116573
PNG
(US8637532, 265)
Show SMILES CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C27H27BrN6O2/c1-34(2)14-13-23(33-26-22-8-4-7-21(25(29)35)24(22)30-16-31-26)18-5-3-6-20(15-18)32-27(36)17-9-11-19(28)12-10-17/h3-12,15-16,23H,13-14H2,1-2H3,(H2,29,35)(H,32,36)(H,30,31,33)
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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))
BDBM116594
PNG
(US8637532, 286)
Show SMILES COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C27H24F3N5O3/c1-38-13-12-22(35-25-21-7-3-6-20(24(31)36)23(21)32-15-33-25)17-4-2-5-19(14-17)34-26(37)16-8-10-18(11-9-16)27(28,29)30/h2-11,14-15,22H,12-13H2,1H3,(H2,31,36)(H,34,37)(H,32,33,35)
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n/an/a 1.30n/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))
BDBM116633
PNG
(US8637532, 332)
Show SMILES NC(=O)c1cccc2c(NC(CCN3CCC3)c3cccc(NC(=O)c4ccc(Br)cc4)c3)ncnc12
Show InChI InChI=1S/C28H27BrN6O2/c29-20-10-8-18(9-11-20)28(37)33-21-5-1-4-19(16-21)24(12-15-35-13-3-14-35)34-27-23-7-2-6-22(26(30)36)25(23)31-17-32-27/h1-2,4-11,16-17,24H,3,12-15H2,(H2,30,36)(H,33,37)(H,31,32,34)
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n/an/a 4.5n/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))
BDBM116770
PNG
(US8637532, 487)
Show SMILES COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1
Show InChI InChI=1S/C27H27N5O4/c1-35-14-13-23(32-26-22-8-4-7-21(25(28)33)24(22)29-16-30-26)18-5-3-6-19(15-18)31-27(34)17-9-11-20(36-2)12-10-17/h3-12,15-16,23H,13-14H2,1-2H3,(H2,28,33)(H,31,34)(H,29,30,32)
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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))
BDBM116778
PNG
(US8637532, 495)
Show SMILES NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4ccc(Br)cc4)c3)ncnc12
Show InChI InChI=1S/C30H31BrN6O2/c31-22-12-10-20(11-13-22)30(39)35-23-7-4-6-21(18-23)26(14-17-37-15-2-1-3-16-37)36-29-25-9-5-8-24(28(32)38)27(25)33-19-34-29/h4-13,18-19,26H,1-3,14-17H2,(H2,32,38)(H,35,39)(H,33,34,36)
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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))
BDBM116821
PNG
(US8637532, 547)
Show SMILES COCC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1
Show InChI InChI=1S/C27H27N5O4/c1-35-14-13-23(32-26-22-8-4-7-21(25(28)33)24(22)29-16-30-26)18-5-3-6-19(15-18)31-27(34)17-9-11-20(36-2)12-10-17/h3-12,15-16,23H,13-14H2,1-2H3,(H2,28,33)(H,31,34)(H,29,30,32)/t23-/m1/s1
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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))
BDBM116956
PNG
(US8637532, 683)
Show SMILES COCC[C@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1
Show InChI InChI=1S/C27H27N5O4/c1-35-14-13-23(32-26-22-8-4-7-21(25(28)33)24(22)29-16-30-26)18-5-3-6-19(15-18)31-27(34)17-9-11-20(36-2)12-10-17/h3-12,15-16,23H,13-14H2,1-2H3,(H2,28,33)(H,31,34)(H,29,30,32)/t23-/m0/s1
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n/an/a 7.60n/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))
BDBM116514
PNG
(US8637532, 197)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C26H25BrN6O2/c1-33(2)14-22(32-25-21-8-4-7-20(24(28)34)23(21)29-15-30-25)17-5-3-6-19(13-17)31-26(35)16-9-11-18(27)12-10-16/h3-13,15,22H,14H2,1-2H3,(H2,28,34)(H,31,35)(H,29,30,32)
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US Patent
n/an/a 0.650n/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
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