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25 similar compounds to monomer 116573

Compile data set for download or QSAR
Wt: 468.5
BDBM116937
Wt: 587.5
BDBM116778
Wt: 544.5
BDBM116783
Wt: 524.6
BDBM116970
Wt: 510.5
BDBM116971
Wt: 524.6
BDBM116973
Wt: 538.6
BDBM116976
Wt: 538.6
BDBM116977
Wt: 544.5
BDBM116689
Wt: 544.5
BDBM116695
Wt: 530.5
BDBM116713
Wt: 604.4
BDBM116724
Wt: 504.5
BDBM116728
Wt: 519.3
BDBM116513
Wt: 533.4
BDBM116514
Displayed 1 to 15 (of 25 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 116937,116778,116783,116970,116971,116973,116976,116977,116689,116695,116713,116724,116728,116513,116514   
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
Aurora kinase B


(Homo sapiens (Human))
BDBM116976
PNG
(US8637532, 703)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCN1CCCCC1)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C31H34N6O3/c1-40-24-13-11-21(12-14-24)31(39)35-23-8-5-7-22(19-23)27(15-18-37-16-3-2-4-17-37)36-30-26-10-6-9-25(29(32)38)28(26)33-20-34-30/h5-14,19-20,27H,2-4,15-18H2,1H3,(H2,32,38)(H,35,39)(H,33,34,36)
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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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116689
PNG
(US8637532, 392)
Show SMILES NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4c(F)cccc4F)c3)ncnc12
Show InChI InChI=1S/C30H30F2N6O2/c31-23-11-6-12-24(32)26(23)30(40)36-20-8-4-7-19(17-20)25(13-16-38-14-2-1-3-15-38)37-29-22-10-5-9-21(28(33)39)27(22)34-18-35-29/h4-12,17-18,25H,1-3,13-16H2,(H2,33,39)(H,36,40)(H,34,35,37)
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n/an/a 27n/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))
BDBM116695
PNG
(US8637532, 399)
Show SMILES NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4ccc(F)cc4F)c3)ncnc12
Show InChI InChI=1S/C30H30F2N6O2/c31-20-10-11-22(25(32)17-20)30(40)36-21-7-4-6-19(16-21)26(12-15-38-13-2-1-3-14-38)37-29-24-9-5-8-23(28(33)39)27(24)34-18-35-29/h4-11,16-18,26H,1-3,12-15H2,(H2,33,39)(H,36,40)(H,34,35,37)
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n/an/a 29n/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))
BDBM116713
PNG
(US8637532, 422)
Show SMILES NC(=O)c1cccc2c(NC(CCN3CCCC3)c3cccc(NC(=O)c4ccc(F)c(F)c4)c3)ncnc12
Show InChI InChI=1S/C29H28F2N6O2/c30-23-10-9-19(16-24(23)31)29(39)35-20-6-3-5-18(15-20)25(11-14-37-12-1-2-13-37)36-28-22-8-4-7-21(27(32)38)26(22)33-17-34-28/h3-10,15-17,25H,1-2,11-14H2,(H2,32,38)(H,35,39)(H,33,34,36)
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n/an/a 34n/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))
BDBM116724
PNG
(US8637532, 433)
Show SMILES CN(C)CCNC(=O)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C29H30BrN7O3/c1-37(2)14-13-32-25(38)16-24(36-28-23-8-4-7-22(27(31)39)26(23)33-17-34-28)19-5-3-6-21(15-19)35-29(40)18-9-11-20(30)12-10-18/h3-12,15,17,24H,13-14,16H2,1-2H3,(H2,31,39)(H,32,38)(H,35,40)(H,33,34,36)
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n/an/a 37n/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))
BDBM116728
PNG
(US8637532, 437)
Show SMILES CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(F)ccc2F)c1
Show InChI InChI=1S/C27H26F2N6O2/c1-35(2)12-11-23(34-26-20-8-4-7-19(25(30)36)24(20)31-15-32-26)16-5-3-6-18(13-16)33-27(37)21-14-17(28)9-10-22(21)29/h3-10,13-15,23H,11-12H2,1-2H3,(H2,30,36)(H,33,37)(H,31,32,34)
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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))
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))
BDBM116783
PNG
(US8637532, 500)
Show SMILES NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4ccc(F)c(F)c4)c3)ncnc12
Show InChI InChI=1S/C30H30F2N6O2/c31-24-11-10-20(17-25(24)32)30(40)36-21-7-4-6-19(16-21)26(12-15-38-13-2-1-3-14-38)37-29-23-9-5-8-22(28(33)39)27(23)34-18-35-29/h4-11,16-18,26H,1-3,12-15H2,(H2,33,39)(H,36,40)(H,34,35,37)
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n/an/a 75n/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))
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))
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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116976
PNG
(US8637532, 703)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCN1CCCCC1)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C31H34N6O3/c1-40-24-13-11-21(12-14-24)31(39)35-23-8-5-7-22(19-23)27(15-18-37-16-3-2-4-17-37)36-30-26-10-6-9-25(29(32)38)28(26)33-20-34-30/h5-14,19-20,27H,2-4,15-18H2,1H3,(H2,32,38)(H,35,39)(H,33,34,36)
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n/an/a 340n/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))
BDBM116977
PNG
(US8637532, 704)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)[C@@H](CCN1CCCCC1)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C31H34N6O3/c1-40-24-13-11-21(12-14-24)31(39)35-23-8-5-7-22(19-23)27(15-18-37-16-3-2-4-17-37)36-30-26-10-6-9-25(29(32)38)28(26)33-20-34-30/h5-14,19-20,27H,2-4,15-18H2,1H3,(H2,32,38)(H,35,39)(H,33,34,36)/t27-/m1/s1
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n/an/a 360n/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))
BDBM116689
PNG
(US8637532, 392)
Show SMILES NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4c(F)cccc4F)c3)ncnc12
Show InChI InChI=1S/C30H30F2N6O2/c31-23-11-6-12-24(32)26(23)30(40)36-20-8-4-7-19(17-20)25(13-16-38-14-2-1-3-15-38)37-29-22-10-5-9-21(28(33)39)27(22)34-18-35-29/h4-12,17-18,25H,1-3,13-16H2,(H2,33,39)(H,36,40)(H,34,35,37)
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n/an/a 3.10n/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))
BDBM116695
PNG
(US8637532, 399)
Show SMILES NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4ccc(F)cc4F)c3)ncnc12
Show InChI InChI=1S/C30H30F2N6O2/c31-20-10-11-22(25(32)17-20)30(40)36-21-7-4-6-19(16-21)26(12-15-38-13-2-1-3-14-38)37-29-24-9-5-8-23(28(33)39)27(24)34-18-35-29/h4-11,16-18,26H,1-3,12-15H2,(H2,33,39)(H,36,40)(H,34,35,37)
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n/an/a 8n/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))
BDBM116713
PNG
(US8637532, 422)
Show SMILES NC(=O)c1cccc2c(NC(CCN3CCCC3)c3cccc(NC(=O)c4ccc(F)c(F)c4)c3)ncnc12
Show InChI InChI=1S/C29H28F2N6O2/c30-23-10-9-19(16-24(23)31)29(39)35-20-6-3-5-18(15-20)25(11-14-37-12-1-2-13-37)36-28-22-8-4-7-21(27(32)38)26(22)33-17-34-28/h3-10,15-17,25H,1-2,11-14H2,(H2,32,38)(H,35,39)(H,33,34,36)
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n/an/a 0.610n/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))
BDBM116724
PNG
(US8637532, 433)
Show SMILES CN(C)CCNC(=O)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C29H30BrN7O3/c1-37(2)14-13-32-25(38)16-24(36-28-23-8-4-7-22(27(31)39)26(23)33-17-34-28)19-5-3-6-21(15-19)35-29(40)18-9-11-20(30)12-10-18/h3-12,15,17,24H,13-14,16H2,1-2H3,(H2,31,39)(H,32,38)(H,35,40)(H,33,34,36)
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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))
BDBM116728
PNG
(US8637532, 437)
Show SMILES CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(F)ccc2F)c1
Show InChI InChI=1S/C27H26F2N6O2/c1-35(2)12-11-23(34-26-20-8-4-7-19(25(30)36)24(20)31-15-32-26)16-5-3-6-18(13-16)33-27(37)21-14-17(28)9-10-22(21)29/h3-10,13-15,23H,11-12H2,1-2H3,(H2,30,36)(H,33,37)(H,31,32,34)
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n/an/a 5.5n/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))
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 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))
BDBM116783
PNG
(US8637532, 500)
Show SMILES NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4ccc(F)c(F)c4)c3)ncnc12
Show InChI InChI=1S/C30H30F2N6O2/c31-24-11-10-20(17-25(24)32)30(40)36-21-7-4-6-19(16-21)26(12-15-38-13-2-1-3-14-38)37-29-23-9-5-8-22(28(33)39)27(23)34-18-35-29/h4-11,16-18,26H,1-3,12-15H2,(H2,33,39)(H,36,40)(H,34,35,37)
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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 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))
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))
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 A


(Homo sapiens (Human))
BDBM116976
PNG
(US8637532, 703)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCN1CCCCC1)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C31H34N6O3/c1-40-24-13-11-21(12-14-24)31(39)35-23-8-5-7-22(19-23)27(15-18-37-16-3-2-4-17-37)36-30-26-10-6-9-25(29(32)38)28(26)33-20-34-30/h5-14,19-20,27H,2-4,15-18H2,1H3,(H2,32,38)(H,35,39)(H,33,34,36)
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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 A


(Homo sapiens (Human))
BDBM116977
PNG
(US8637532, 704)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)[C@@H](CCN1CCCCC1)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C31H34N6O3/c1-40-24-13-11-21(12-14-24)31(39)35-23-8-5-7-22(19-23)27(15-18-37-16-3-2-4-17-37)36-30-26-10-6-9-25(29(32)38)28(26)33-20-34-30/h5-14,19-20,27H,2-4,15-18H2,1H3,(H2,32,38)(H,35,39)(H,33,34,36)/t27-/m1/s1
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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 B


(Homo sapiens (Human))
BDBM116728
PNG
(US8637532, 437)
Show SMILES CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(F)ccc2F)c1
Show InChI InChI=1S/C27H26F2N6O2/c1-35(2)12-11-23(34-26-20-8-4-7-19(25(30)36)24(20)31-15-32-26)16-5-3-6-18(13-16)33-27(37)21-14-17(28)9-10-22(21)29/h3-10,13-15,23H,11-12H2,1-2H3,(H2,30,36)(H,33,37)(H,31,32,34)
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n/an/a 9.20n/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))
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 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
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))
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
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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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
More data for this
Ligand-Target Pair