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30 similar compounds to monomer 116925

Compile data set for download or QSAR
Wt: 542.6
BDBM116920		Wt: 441.4
BDBM116928		Wt: 441.4
BDBM116935		Wt: 457.4
BDBM116939		Wt: 481.4
BDBM116940
Wt: 457.4
BDBM116946		Wt: 445.4
BDBM116947		Wt: 441.4
BDBM116949		Wt: 457.4
BDBM116780		Wt: 528.6
BDBM116979
Wt: 455.4
BDBM116835		Wt: 457.4
BDBM116838		Wt: 443.4
BDBM116989		Wt: 441.4
BDBM117014		Wt: 470.5
BDBM116864
Displayed 1 to 15 (of 30 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 116920,116928,116935,116939,116940,116946,116947,116949,116780,116979,116835,116838,116989,117014,116864   
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))		BDBM116780
PNG
(US8637532, 497)
Show SMILES COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c(OC)c1
Show InChI InChI=1S/C25H23N5O4/c1-33-17-9-10-18(21(12-17)34-2)25(32)30-16-6-3-5-15(11-16)13-27-24-20-8-4-7-19(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 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
Aurora kinase B


(Homo sapiens (Human))		BDBM116989
PNG
(US8637532, 716)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(O)cc23)C(N)=O)c1
Show InChI InChI=1S/C24H21N5O4/c1-33-18-7-5-15(6-8-18)24(32)29-16-4-2-3-14(9-16)12-26-23-20-11-17(30)10-19(22(25)31)21(20)27-13-28-23/h2-11,13,30H,12H2,1H3,(H2,25,31)(H,29,32)(H,26,27,28)
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n/an/a 0.600n/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))		BDBM116864
PNG
(US8637532, 590)
Show SMILES CNCc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1
Show InChI InChI=1S/C26H26N6O3/c1-28-13-17-11-21(24(27)33)23-22(12-17)25(31-15-30-23)29-14-16-4-3-5-19(10-16)32-26(34)18-6-8-20(35-2)9-7-18/h3-12,15,28H,13-14H2,1-2H3,(H2,27,33)(H,32,34)(H,29,30,31)
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n/an/a 2.30E+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))		BDBM116920
PNG
(US8637532, 647)
Show SMILES CCN(CC)CCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1
Show InChI InChI=1S/C30H34N6O4/c1-4-36(5-2)13-14-40-24-16-25(28(31)37)27-26(17-24)29(34-19-33-27)32-18-20-7-6-8-22(15-20)35-30(38)21-9-11-23(39-3)12-10-21/h6-12,15-17,19H,4-5,13-14,18H2,1-3H3,(H2,31,37)(H,35,38)(H,32,33,34)
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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))		BDBM116979
PNG
(US8637532, 706)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(OCCCN(C)C)cc23)C(N)=O)c1
Show InChI InChI=1S/C29H32N6O4/c1-35(2)12-5-13-39-23-15-24(27(30)36)26-25(16-23)28(33-18-32-26)31-17-19-6-4-7-21(14-19)34-29(37)20-8-10-22(38-3)11-9-20/h4,6-11,14-16,18H,5,12-13,17H2,1-3H3,(H2,30,36)(H,34,37)(H,31,32,33)
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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
Aurora kinase A


(Homo sapiens (Human))		BDBM116780
PNG
(US8637532, 497)
Show SMILES COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c(OC)c1
Show InChI InChI=1S/C25H23N5O4/c1-33-17-9-10-18(21(12-17)34-2)25(32)30-16-6-3-5-15(11-16)13-27-24-20-8-4-7-19(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 0.770n/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))		BDBM116835
PNG
(US8637532, 561)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5OCCOc5c4)c3)ncnc12
Show InChI InChI=1S/C25H21N5O4/c26-23(31)18-5-2-6-19-22(18)28-14-29-24(19)27-13-15-3-1-4-17(11-15)30-25(32)16-7-8-20-21(12-16)34-10-9-33-20/h1-8,11-12,14H,9-10,13H2,(H2,26,31)(H,30,32)(H,27,28,29)
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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))		BDBM116838
PNG
(US8637532, 564)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(CO)cc23)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O4/c1-34-19-7-5-17(6-8-19)25(33)30-18-4-2-3-15(9-18)12-27-24-21-11-16(13-31)10-20(23(26)32)22(21)28-14-29-24/h2-11,14,31H,12-13H2,1H3,(H2,26,32)(H,30,33)(H,27,28,29)
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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))		BDBM116864
PNG
(US8637532, 590)
Show SMILES CNCc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1
Show InChI InChI=1S/C26H26N6O3/c1-28-13-17-11-21(24(27)33)23-22(12-17)25(31-15-30-23)29-14-16-4-3-5-19(10-16)32-26(34)18-6-8-20(35-2)9-7-18/h3-12,15,28H,13-14H2,1-2H3,(H2,27,33)(H,32,34)(H,29,30,31)
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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))		BDBM116920
PNG
(US8637532, 647)
Show SMILES CCN(CC)CCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1
Show InChI InChI=1S/C30H34N6O4/c1-4-36(5-2)13-14-40-24-16-25(28(31)37)27-26(17-24)29(34-19-33-27)32-18-20-7-6-8-22(15-20)35-30(38)21-9-11-23(39-3)12-10-21/h6-12,15-17,19H,4-5,13-14,18H2,1-3H3,(H2,31,37)(H,35,38)(H,32,33,34)
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n/an/a 4.80n/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))		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))		BDBM116935
PNG
(US8637532, 662)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CN(C)c2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O3/c1-30(24-21-8-4-7-20(23(26)31)22(21)27-15-28-24)14-16-5-3-6-18(13-16)29-25(32)17-9-11-19(33-2)12-10-17/h3-13,15H,14H2,1-2H3,(H2,26,31)(H,29,32)
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n/an/a 3.30n/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 A


(Homo sapiens (Human))		BDBM116939
PNG
(US8637532, 666)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O4/c1-33-20-10-9-16(12-21(20)34-2)25(32)30-17-6-3-5-15(11-17)13-27-24-19-8-4-7-18(23(26)31)22(19)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 0.310n/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))		BDBM116940
PNG
(US8637532, 667)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(OC(F)(F)F)c4)c3)ncnc12
Show InChI InChI=1S/C24H18F3N5O3/c25-24(26,27)35-17-7-2-5-15(11-17)23(34)32-16-6-1-4-14(10-16)12-29-22-19-9-3-8-18(21(28)33)20(19)30-13-31-22/h1-11,13H,12H2,(H2,28,33)(H,32,34)(H,29,30,31)
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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))		BDBM116946
PNG
(US8637532, 673)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4OCCO)c3)ncnc12
Show InChI InChI=1S/C25H23N5O4/c26-23(32)19-8-4-9-20-22(19)28-15-29-24(20)27-14-16-5-3-6-17(13-16)30-25(33)18-7-1-2-10-21(18)34-12-11-31/h1-10,13,15,31H,11-12,14H2,(H2,26,32)(H,30,33)(H,27,28,29)
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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))		BDBM116947
PNG
(US8637532, 674)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(F)c(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H20FN5O3/c1-33-17-8-5-14(6-9-17)24(32)30-16-7-10-20(25)15(11-16)12-27-23-19-4-2-3-18(22(26)31)21(19)28-13-29-23/h2-11,13H,12H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 2.90n/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))		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))		BDBM116979
PNG
(US8637532, 706)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(OCCCN(C)C)cc23)C(N)=O)c1
Show InChI InChI=1S/C29H32N6O4/c1-35(2)12-5-13-39-23-15-24(27(30)36)26-25(16-23)28(33-18-32-26)31-17-19-6-4-7-21(14-19)34-29(37)20-8-10-22(38-3)11-9-20/h4,6-11,14-16,18H,5,12-13,17H2,1-3H3,(H2,30,36)(H,34,37)(H,31,32,33)
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n/an/a 1.10n/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))		BDBM116989
PNG
(US8637532, 716)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(O)cc23)C(N)=O)c1
Show InChI InChI=1S/C24H21N5O4/c1-33-18-7-5-15(6-8-18)24(32)29-16-4-2-3-14(9-16)12-26-23-20-11-17(30)10-19(22(25)31)21(20)27-13-28-23/h2-11,13,30H,12H2,1H3,(H2,25,31)(H,29,32)(H,26,27,28)
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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))		BDBM117014
PNG
(US8637532, 743)
Show SMILES COc1ccc(cc1)C(=O)N(C)c1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O3/c1-30(25(32)17-9-11-19(33-2)12-10-17)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,14H2,1-2H3,(H2,26,31)(H,27,28,29)
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n/an/a 649n/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))		BDBM116780
PNG
(US8637532, 497)
Show SMILES COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c(OC)c1
Show InChI InChI=1S/C25H23N5O4/c1-33-17-9-10-18(21(12-17)34-2)25(32)30-16-6-3-5-15(11-16)13-27-24-20-8-4-7-19(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 3.60n/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))		BDBM116838
PNG
(US8637532, 564)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(CO)cc23)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O4/c1-34-19-7-5-17(6-8-19)25(33)30-18-4-2-3-15(9-18)12-27-24-21-11-16(13-31)10-20(23(26)32)22(21)28-14-29-24/h2-11,14,31H,12-13H2,1H3,(H2,26,32)(H,30,33)(H,27,28,29)
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n/an/a 0.960n/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))		BDBM116920
PNG
(US8637532, 647)
Show SMILES CCN(CC)CCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1
Show InChI InChI=1S/C30H34N6O4/c1-4-36(5-2)13-14-40-24-16-25(28(31)37)27-26(17-24)29(34-19-33-27)32-18-20-7-6-8-22(15-20)35-30(38)21-9-11-23(39-3)12-10-21/h6-12,15-17,19H,4-5,13-14,18H2,1-3H3,(H2,31,37)(H,35,38)(H,32,33,34)
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n/an/a 6.5n/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))		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))		BDBM116935
PNG
(US8637532, 662)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CN(C)c2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O3/c1-30(24-21-8-4-7-20(23(26)31)22(21)27-15-28-24)14-16-5-3-6-18(13-16)29-25(32)17-9-11-19(33-2)12-10-17/h3-13,15H,14H2,1-2H3,(H2,26,31)(H,29,32)
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n/an/a 13n/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))		BDBM116939
PNG
(US8637532, 666)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O4/c1-33-20-10-9-16(12-21(20)34-2)25(32)30-17-6-3-5-15(11-17)13-27-24-19-8-4-7-18(23(26)31)22(19)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 0.310n/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 B


(Homo sapiens (Human))		BDBM116940
PNG
(US8637532, 667)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(OC(F)(F)F)c4)c3)ncnc12
Show InChI InChI=1S/C24H18F3N5O3/c25-24(26,27)35-17-7-2-5-15(11-17)23(34)32-16-6-1-4-14(10-16)12-29-22-19-9-3-8-18(21(28)33)20(19)30-13-31-22/h1-11,13H,12H2,(H2,28,33)(H,32,34)(H,29,30,31)
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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 B


(Homo sapiens (Human))		BDBM116946
PNG
(US8637532, 673)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4OCCO)c3)ncnc12
Show InChI InChI=1S/C25H23N5O4/c26-23(32)19-8-4-9-20-22(19)28-15-29-24(20)27-14-16-5-3-6-17(13-16)30-25(33)18-7-1-2-10-21(18)34-12-11-31/h1-10,13,15,31H,11-12,14H2,(H2,26,32)(H,30,33)(H,27,28,29)
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n/an/a 16n/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))		BDBM116947
PNG
(US8637532, 674)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(F)c(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H20FN5O3/c1-33-17-8-5-14(6-9-17)24(32)30-16-7-10-20(25)15(11-16)12-27-23-19-4-2-3-18(22(26)31)21(19)28-13-29-23/h2-11,13H,12H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 2.70n/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))		BDBM116979
PNG
(US8637532, 706)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(OCCCN(C)C)cc23)C(N)=O)c1
Show InChI InChI=1S/C29H32N6O4/c1-35(2)12-5-13-39-23-15-24(27(30)36)26-25(16-23)28(33-18-32-26)31-17-19-6-4-7-21(14-19)34-29(37)20-8-10-22(38-3)11-9-20/h4,6-11,14-16,18H,5,12-13,17H2,1-3H3,(H2,30,36)(H,34,37)(H,31,32,33)
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n/an/a 5.30n/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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))		BDBM116838
PNG
(US8637532, 564)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(CO)cc23)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O4/c1-34-19-7-5-17(6-8-19)25(33)30-18-4-2-3-15(9-18)12-27-24-21-11-16(13-31)10-20(23(26)32)22(21)28-14-29-24/h2-11,14,31H,12-13H2,1H3,(H2,26,32)(H,30,33)(H,27,28,29)
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n/an/a 3.10E+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