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49 similar compounds to monomer 116639

Compile data set for download or QSAR
Wt: 499.5
BDBM116927
Wt: 441.4
BDBM116928
Wt: 468.5
BDBM116937
Wt: 445.4
BDBM116945
Wt: 495.4
BDBM116761
Wt: 441.4
BDBM116949
Wt: 485.5
BDBM116956
Wt: 485.5
BDBM116770
Wt: 516.5
BDBM116776
Wt: 503.5
BDBM116791
Wt: 473.4
BDBM116963
Wt: 524.6
BDBM116970
Wt: 510.5
BDBM116971
Wt: 477.4
BDBM116972
Wt: 524.6
BDBM116973
Displayed 1 to 15 (of 49 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 38 hits for monomerid = 116927,116928,116937,116945,116761,116949,116956,116770,116776,116791,116963,116970,116971,116972,116973   
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))
BDBM116761
PNG
(US8637532, 475)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C25H20F3N5O3/c1-14(32-23-20-7-3-6-19(22(29)34)21(20)30-13-31-23)16-4-2-5-17(12-16)33-24(35)15-8-10-18(11-9-15)36-25(26,27)28/h2-14H,1H3,(H2,29,34)(H,33,35)(H,30,31,32)
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n/an/a 60n/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))
BDBM116776
PNG
(US8637532, 493)
Show SMILES COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(CCN(C)C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C28H29FN6O3/c1-35(2)13-12-23(34-27-21-9-5-8-20(26(30)36)25(21)31-16-32-27)17-6-4-7-19(14-17)33-28(37)18-10-11-24(38-3)22(29)15-18/h4-11,14-16,23H,12-13H2,1-3H3,(H2,30,36)(H,33,37)(H,31,32,34)
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n/an/a 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))
BDBM116791
PNG
(US8637532, 510)
Show SMILES COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)c(F)c2)c1
Show InChI InChI=1S/C27H26FN5O4/c1-36-12-11-22(33-26-20-8-4-7-19(25(29)34)24(20)30-15-31-26)16-5-3-6-18(13-16)32-27(35)17-9-10-23(37-2)21(28)14-17/h3-10,13-15,22H,11-12H2,1-2H3,(H2,29,34)(H,32,35)(H,30,31,33)
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n/an/a 83n/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))
BDBM116927
PNG
(US8637532, 654)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(CCCCO)cc23)C(N)=O)c1
Show InChI InChI=1S/C28H29N5O4/c1-37-22-10-8-20(9-11-22)28(36)33-21-7-4-6-19(13-21)16-30-27-24-15-18(5-2-3-12-34)14-23(26(29)35)25(24)31-17-32-27/h4,6-11,13-15,17,34H,2-3,5,12,16H2,1H3,(H2,29,35)(H,33,36)(H,30,31,32)
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n/an/a 310n/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))
BDBM116937
PNG
(US8637532, 664)
Show SMILES CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C27H28N6O2/c1-33(2)15-14-23(32-26-22-13-7-12-21(25(28)34)24(22)29-17-30-26)19-10-6-11-20(16-19)31-27(35)18-8-4-3-5-9-18/h3-13,16-17,23H,14-15H2,1-2H3,(H2,28,34)(H,31,35)(H,29,30,32)
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n/an/a 270n/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))
BDBM116945
PNG
(US8637532, 672)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(O)c(F)c2)c1
Show InChI InChI=1S/C24H20FN5O3/c1-13(29-23-18-7-3-6-17(22(26)32)21(18)27-12-28-23)14-4-2-5-16(10-14)30-24(33)15-8-9-20(31)19(25)11-15/h2-13,31H,1H3,(H2,26,32)(H,30,33)(H,27,28,29)
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n/an/a 460n/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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116970
PNG
(US8637532, 697)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCN1CCCC1)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C30H32N6O3/c1-39-23-12-10-20(11-13-23)30(38)34-22-7-4-6-21(18-22)26(14-17-36-15-2-3-16-36)35-29-25-9-5-8-24(28(31)37)27(25)32-19-33-29/h4-13,18-19,26H,2-3,14-17H2,1H3,(H2,31,37)(H,34,38)(H,32,33,35)
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n/an/a 210n/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))
BDBM116971
PNG
(US8637532, 698)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCN1CCC1)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C29H30N6O3/c1-38-22-11-9-19(10-12-22)29(37)33-21-6-2-5-20(17-21)25(13-16-35-14-4-15-35)34-28-24-8-3-7-23(27(30)36)26(24)31-18-32-28/h2-3,5-12,17-18,25H,4,13-16H2,1H3,(H2,30,36)(H,33,37)(H,31,32,34)
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n/an/a 210n/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))
BDBM116972
PNG
(US8637532, 699)
Show SMILES COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cc(F)cc12)C(N)=O
Show InChI InChI=1S/C25H21F2N5O3/c1-13(31-24-19-11-16(26)10-18(23(28)33)22(19)29-12-30-24)14-4-3-5-17(8-14)32-25(34)15-6-7-21(35-2)20(27)9-15/h3-13H,1-2H3,(H2,28,33)(H,32,34)(H,29,30,31)
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n/an/a 230n/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))
BDBM116973
PNG
(US8637532, 700)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)[C@@H](CCN1CCCC1)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C30H32N6O3/c1-39-23-12-10-20(11-13-23)30(38)34-22-7-4-6-21(18-22)26(14-17-36-15-2-3-16-36)35-29-25-9-5-8-24(28(31)37)27(25)32-19-33-29/h4-13,18-19,26H,2-3,14-17H2,1H3,(H2,31,37)(H,34,38)(H,32,33,35)/t26-/m1/s1
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n/an/a 260n/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))
BDBM116761
PNG
(US8637532, 475)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C25H20F3N5O3/c1-14(32-23-20-7-3-6-19(22(29)34)21(20)30-13-31-23)16-4-2-5-17(12-16)33-24(35)15-8-10-18(11-9-15)36-25(26,27)28/h2-14H,1H3,(H2,29,34)(H,33,35)(H,30,31,32)
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n/an/a 0.530n/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))
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 0.420n/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))
BDBM116776
PNG
(US8637532, 493)
Show SMILES COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(CCN(C)C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C28H29FN6O3/c1-35(2)13-12-23(34-27-21-9-5-8-20(26(30)36)25(21)31-16-32-27)17-6-4-7-19(14-17)33-28(37)18-10-11-24(38-3)22(29)15-18/h4-11,14-16,23H,12-13H2,1-3H3,(H2,30,36)(H,33,37)(H,31,32,34)
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n/an/a 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 A


(Homo sapiens (Human))
BDBM116791
PNG
(US8637532, 510)
Show SMILES COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)c(F)c2)c1
Show InChI InChI=1S/C27H26FN5O4/c1-36-12-11-22(33-26-20-8-4-7-19(25(29)34)24(20)30-15-31-26)16-5-3-6-18(13-16)32-27(35)17-9-10-23(37-2)21(28)14-17/h3-10,13-15,22H,11-12H2,1-2H3,(H2,29,34)(H,32,35)(H,30,31,33)
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n/an/a 0.370n/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))
BDBM116927
PNG
(US8637532, 654)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(CCCCO)cc23)C(N)=O)c1
Show InChI InChI=1S/C28H29N5O4/c1-37-22-10-8-20(9-11-22)28(36)33-21-7-4-6-19(13-21)16-30-27-24-15-18(5-2-3-12-34)14-23(26(29)35)25(24)31-17-32-27/h4,6-11,13-15,17,34H,2-3,5,12,16H2,1H3,(H2,29,35)(H,33,36)(H,30,31,32)
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n/an/a 0.200n/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))
BDBM116928
PNG
(US8637532, 655)
Show SMILES CCOc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O3/c1-2-33-19-11-9-17(10-12-19)25(32)30-18-6-3-5-16(13-18)14-27-24-21-8-4-7-20(23(26)31)22(21)28-15-29-24/h3-13,15H,2,14H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 0.130n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


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


US Patent US8637532 (2014)


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


(Homo sapiens (Human))
BDBM116937
PNG
(US8637532, 664)
Show SMILES CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C27H28N6O2/c1-33(2)15-14-23(32-26-22-13-7-12-21(25(28)34)24(22)29-17-30-26)19-10-6-11-20(16-19)31-27(35)18-8-4-3-5-9-18/h3-13,16-17,23H,14-15H2,1-2H3,(H2,28,34)(H,31,35)(H,29,30,32)
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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))
BDBM116945
PNG
(US8637532, 672)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(O)c(F)c2)c1
Show InChI InChI=1S/C24H20FN5O3/c1-13(29-23-18-7-3-6-17(22(26)32)21(18)27-12-28-23)14-4-2-5-16(10-14)30-24(33)15-8-9-20(31)19(25)11-15/h2-13,31H,1H3,(H2,26,32)(H,30,33)(H,27,28,29)
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n/an/a 10n/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))
BDBM116949
PNG
(US8637532, 676)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(CNc2ncnc3c(cccc23)C(N)=O)ccc1C
Show InChI InChI=1S/C25H23N5O3/c1-15-6-7-16(12-21(15)30-25(32)17-8-10-18(33-2)11-9-17)13-27-24-20-5-3-4-19(23(26)31)22(20)28-14-29-24/h3-12,14H,13H2,1-2H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 0.330n/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))
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))
BDBM116963
PNG
(US8637532, 690)
Show SMILES CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)c(F)c2)c1
Show InChI InChI=1S/C26H24FN5O3/c1-3-21(32-25-19-9-5-8-18(24(28)33)23(19)29-14-30-25)15-6-4-7-17(12-15)31-26(34)16-10-11-22(35-2)20(27)13-16/h4-14,21H,3H2,1-2H3,(H2,28,33)(H,31,34)(H,29,30,32)
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n/an/a 0.460n/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))
BDBM116970
PNG
(US8637532, 697)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCN1CCCC1)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C30H32N6O3/c1-39-23-12-10-20(11-13-23)30(38)34-22-7-4-6-21(18-22)26(14-17-36-15-2-3-16-36)35-29-25-9-5-8-24(28(31)37)27(25)32-19-33-29/h4-13,18-19,26H,2-3,14-17H2,1H3,(H2,31,37)(H,34,38)(H,32,33,35)
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n/an/a 0.770n/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))
BDBM116971
PNG
(US8637532, 698)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCN1CCC1)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C29H30N6O3/c1-38-22-11-9-19(10-12-22)29(37)33-21-6-2-5-20(17-21)25(13-16-35-14-4-15-35)34-28-24-8-3-7-23(27(30)36)26(24)31-18-32-28/h2-3,5-12,17-18,25H,4,13-16H2,1H3,(H2,30,36)(H,33,37)(H,31,32,34)
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n/an/a 5.90n/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))
BDBM116972
PNG
(US8637532, 699)
Show SMILES COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cc(F)cc12)C(N)=O
Show InChI InChI=1S/C25H21F2N5O3/c1-13(31-24-19-11-16(26)10-18(23(28)33)22(19)29-12-30-24)14-4-3-5-17(8-14)32-25(34)15-6-7-21(35-2)20(27)9-15/h3-13H,1-2H3,(H2,28,33)(H,32,34)(H,29,30,31)
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n/an/a 0.830n/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))
BDBM116973
PNG
(US8637532, 700)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)[C@@H](CCN1CCCC1)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C30H32N6O3/c1-39-23-12-10-20(11-13-23)30(38)34-22-7-4-6-21(18-22)26(14-17-36-15-2-3-16-36)35-29-25-9-5-8-24(28(31)37)27(25)32-19-33-29/h4-13,18-19,26H,2-3,14-17H2,1H3,(H2,31,37)(H,34,38)(H,32,33,35)/t26-/m1/s1
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n/an/a 0.780n/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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n/an/a 0.940n/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))
BDBM116927
PNG
(US8637532, 654)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(CCCCO)cc23)C(N)=O)c1
Show InChI InChI=1S/C28H29N5O4/c1-37-22-10-8-20(9-11-22)28(36)33-21-7-4-6-19(13-21)16-30-27-24-15-18(5-2-3-12-34)14-23(26(29)35)25(24)31-17-32-27/h4,6-11,13-15,17,34H,2-3,5,12,16H2,1H3,(H2,29,35)(H,33,36)(H,30,31,32)
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n/an/a 12n/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))
BDBM116928
PNG
(US8637532, 655)
Show SMILES CCOc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O3/c1-2-33-19-11-9-17(10-12-19)25(32)30-18-6-3-5-16(13-18)14-27-24-21-8-4-7-20(23(26)31)22(21)28-15-29-24/h3-13,15H,2,14H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 1.80n/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))
BDBM116937
PNG
(US8637532, 664)
Show SMILES CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C27H28N6O2/c1-33(2)15-14-23(32-26-22-13-7-12-21(25(28)34)24(22)29-17-30-26)19-10-6-11-20(16-19)31-27(35)18-8-4-3-5-9-18/h3-13,16-17,23H,14-15H2,1-2H3,(H2,28,34)(H,31,35)(H,29,30,32)
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n/an/a 1.90n/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))
BDBM116945
PNG
(US8637532, 672)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(O)c(F)c2)c1
Show InChI InChI=1S/C24H20FN5O3/c1-13(29-23-18-7-3-6-17(22(26)32)21(18)27-12-28-23)14-4-2-5-16(10-14)30-24(33)15-8-9-20(31)19(25)11-15/h2-13,31H,1H3,(H2,26,32)(H,30,33)(H,27,28,29)
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n/an/a 14n/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))
BDBM116949
PNG
(US8637532, 676)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(CNc2ncnc3c(cccc23)C(N)=O)ccc1C
Show InChI InChI=1S/C25H23N5O3/c1-15-6-7-16(12-21(15)30-25(32)17-8-10-18(33-2)11-9-17)13-27-24-20-5-3-4-19(23(26)31)22(20)28-14-29-24/h3-12,14H,13H2,1-2H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 0.800n/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))
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
Aurora kinase B


(Homo sapiens (Human))
BDBM116970
PNG
(US8637532, 697)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCN1CCCC1)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C30H32N6O3/c1-39-23-12-10-20(11-13-23)30(38)34-22-7-4-6-21(18-22)26(14-17-36-15-2-3-16-36)35-29-25-9-5-8-24(28(31)37)27(25)32-19-33-29/h4-13,18-19,26H,2-3,14-17H2,1H3,(H2,31,37)(H,34,38)(H,32,33,35)
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n/an/a 2.80n/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))
BDBM116971
PNG
(US8637532, 698)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCN1CCC1)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C29H30N6O3/c1-38-22-11-9-19(10-12-22)29(37)33-21-6-2-5-20(17-21)25(13-16-35-14-4-15-35)34-28-24-8-3-7-23(27(30)36)26(24)31-18-32-28/h2-3,5-12,17-18,25H,4,13-16H2,1H3,(H2,30,36)(H,33,37)(H,31,32,34)
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n/an/a 6n/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))
BDBM116761
PNG
(US8637532, 475)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C25H20F3N5O3/c1-14(32-23-20-7-3-6-19(22(29)34)21(20)30-13-31-23)16-4-2-5-17(12-16)33-24(35)15-8-10-18(11-9-15)36-25(26,27)28/h2-14H,1H3,(H2,29,34)(H,33,35)(H,30,31,32)
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n/an/a 8.60E+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))
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
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