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17 similar compounds to monomer 116747

Compile data set for download or QSAR
Wt: 457.4
BDBM116767
Wt: 427.4
BDBM116771
Wt: 471.5
BDBM116794
Wt: 471.5
BDBM116799
Wt: 483.5
BDBM116800
Wt: 469.5
BDBM116801
Wt: 481.5
BDBM116975
Wt: 482.5
BDBM116862
Wt: 440.4
BDBM116390
Wt: 441.4
BDBM116417
Wt: 441.4
BDBM116419
Wt: 471.5
BDBM116572
Wt: 496.5
BDBM116617
Wt: 483.5
BDBM116648
Wt: 471.5
BDBM116656
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 40 hits for monomerid = 116767,116771,116794,116799,116800,116801,116975,116862,116390,116417,116419,116572,116617,116648,116656   
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))
BDBM116390
PNG
(US8637532, 71)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H24N6O2/c1-31(2)19-11-9-17(10-12-19)25(33)30-18-6-3-5-16(13-18)14-27-24-21-8-4-7-20(23(26)32)22(21)28-15-29-24/h3-13,15H,14H2,1-2H3,(H2,26,32)(H,30,33)(H,27,28,29)
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n/an/a 11.7n/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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM116767
PNG
(US8637532, 484)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(NCCO)c4)c3)ncnc12
Show InChI InChI=1S/C24H23N7O3/c25-22(33)18-5-2-6-19-21(18)29-14-30-23(19)28-13-15-3-1-4-17(11-15)31-24(34)16-7-8-26-20(12-16)27-9-10-32/h1-8,11-12,14,32H,9-10,13H2,(H2,25,33)(H,26,27)(H,31,34)(H,28,29,30)
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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))
BDBM116419
PNG
(US8637532, 100)
Show SMILES CN(C)c1cc(ccn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H23N7O2/c1-31(2)20-12-16(9-10-26-20)24(33)30-17-6-3-5-15(11-17)13-27-23-19-8-4-7-18(22(25)32)21(19)28-14-29-23/h3-12,14H,13H2,1-2H3,(H2,25,32)(H,30,33)(H,27,28,29)
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n/an/a 12.1n/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))
BDBM116572
PNG
(US8637532, 264)
Show SMILES CN(CCO)c1cc(ccn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H25N7O3/c1-32(10-11-33)21-13-17(8-9-27-21)25(35)31-18-5-2-4-16(12-18)14-28-24-20-7-3-6-19(23(26)34)22(20)29-15-30-24/h2-9,12-13,15,33H,10-11,14H2,1H3,(H2,26,34)(H,31,35)(H,28,29,30)
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n/an/a 5n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116617
PNG
(US8637532, 312)
Show SMILES CN1CCN(CC1)c1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C27H28N8O2/c1-34-10-12-35(13-11-34)23-9-8-19(16-29-23)27(37)33-20-5-2-4-18(14-20)15-30-26-22-7-3-6-21(25(28)36)24(22)31-17-32-26/h2-9,14,16-17H,10-13,15H2,1H3,(H2,28,36)(H,33,37)(H,30,31,32)
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n/an/a 13n/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))
BDBM116648
PNG
(US8637532, 348)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cncc(c4)N4CCOCC4)c3)ncnc12
Show InChI InChI=1S/C26H25N7O3/c27-24(34)21-5-2-6-22-23(21)30-16-31-25(22)29-13-17-3-1-4-19(11-17)32-26(35)18-12-20(15-28-14-18)33-7-9-36-10-8-33/h1-6,11-12,14-16H,7-10,13H2,(H2,27,34)(H,32,35)(H,29,30,31)
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n/an/a 19n/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))
BDBM116656
PNG
(US8637532, 357)
Show SMILES CN(CCO)c1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H25N7O3/c1-32(10-11-33)21-9-8-17(14-27-21)25(35)31-18-5-2-4-16(12-18)13-28-24-20-7-3-6-19(23(26)34)22(20)29-15-30-24/h2-9,12,14-15,33H,10-11,13H2,1H3,(H2,26,34)(H,31,35)(H,28,29,30)
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n/an/a 21n/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))
BDBM116767
PNG
(US8637532, 484)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(NCCO)c4)c3)ncnc12
Show InChI InChI=1S/C24H23N7O3/c25-22(33)18-5-2-6-19-21(18)29-14-30-23(19)28-13-15-3-1-4-17(11-15)31-24(34)16-7-8-26-20(12-16)27-9-10-32/h1-8,11-12,14,32H,9-10,13H2,(H2,25,33)(H,26,27)(H,31,34)(H,28,29,30)
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n/an/a 65n/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))
BDBM116771
PNG
(US8637532, 488)
Show SMILES CNc1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C23H21N7O2/c1-25-19-9-8-15(12-26-19)23(32)30-16-5-2-4-14(10-16)11-27-22-18-7-3-6-17(21(24)31)20(18)28-13-29-22/h2-10,12-13H,11H2,1H3,(H2,24,31)(H,25,26)(H,30,32)(H,27,28,29)
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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))
BDBM116794
PNG
(US8637532, 514)
Show SMILES COCCNc1cc(ccn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H25N7O3/c1-35-11-10-28-21-13-17(8-9-27-21)25(34)32-18-5-2-4-16(12-18)14-29-24-20-7-3-6-19(23(26)33)22(20)30-15-31-24/h2-9,12-13,15H,10-11,14H2,1H3,(H2,26,33)(H,27,28)(H,32,34)(H,29,30,31)
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n/an/a 86n/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))
BDBM116799
PNG
(US8637532, 519)
Show SMILES COCCNc1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H25N7O3/c1-35-11-10-27-21-9-8-17(14-28-21)25(34)32-18-5-2-4-16(12-18)13-29-24-20-7-3-6-19(23(26)33)22(20)30-15-31-24/h2-9,12,14-15H,10-11,13H2,1H3,(H2,26,33)(H,27,28)(H,32,34)(H,29,30,31)
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n/an/a 90n/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))
BDBM116800
PNG
(US8637532, 520)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(nc4)N4CCOCC4)c3)ncnc12
Show InChI InChI=1S/C26H25N7O3/c27-24(34)20-5-2-6-21-23(20)30-16-31-25(21)29-14-17-3-1-4-19(13-17)32-26(35)18-7-8-22(28-15-18)33-9-11-36-12-10-33/h1-8,13,15-16H,9-12,14H2,(H2,27,34)(H,32,35)(H,29,30,31)
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n/an/a 91n/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))
BDBM116801
PNG
(US8637532, 521)
Show SMILES CC(C)CNc1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C26H27N7O2/c1-16(2)12-28-22-10-9-18(14-29-22)26(35)33-19-6-3-5-17(11-19)13-30-25-21-8-4-7-20(24(27)34)23(21)31-15-32-25/h3-11,14-16H,12-13H2,1-2H3,(H2,27,34)(H,28,29)(H,33,35)(H,30,31,32)
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n/an/a 92n/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))
BDBM116975
PNG
(US8637532, 702)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(nc4)N4CCCCC4)c3)ncnc12
Show InChI InChI=1S/C27H27N7O2/c28-25(35)21-8-5-9-22-24(21)31-17-32-26(22)30-15-18-6-4-7-20(14-18)33-27(36)19-10-11-23(29-16-19)34-12-2-1-3-13-34/h4-11,14,16-17H,1-3,12-13,15H2,(H2,28,35)(H,33,36)(H,30,31,32)
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n/an/a 330n/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))
BDBM116390
PNG
(US8637532, 71)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H24N6O2/c1-31(2)19-11-9-17(10-12-19)25(33)30-18-6-3-5-16(13-18)14-27-24-21-8-4-7-20(23(26)32)22(21)28-15-29-24/h3-13,15H,14H2,1-2H3,(H2,26,32)(H,30,33)(H,27,28,29)
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n/an/a 0.110n/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))
BDBM116417
PNG
(US8637532, 98)
Show SMILES CN(C)c1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H23N7O2/c1-31(2)20-10-9-16(13-26-20)24(33)30-17-6-3-5-15(11-17)12-27-23-19-8-4-7-18(22(25)32)21(19)28-14-29-23/h3-11,13-14H,12H2,1-2H3,(H2,25,32)(H,30,33)(H,27,28,29)
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n/an/a 0.970n/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))
BDBM116419
PNG
(US8637532, 100)
Show SMILES CN(C)c1cc(ccn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H23N7O2/c1-31(2)20-12-16(9-10-26-20)24(33)30-17-6-3-5-15(11-17)13-27-23-19-8-4-7-18(22(25)32)21(19)28-14-29-23/h3-12,14H,13H2,1-2H3,(H2,25,32)(H,30,33)(H,27,28,29)
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n/an/a 1.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


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


US Patent US8637532 (2014)


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


(Homo sapiens (Human))
BDBM116572
PNG
(US8637532, 264)
Show SMILES CN(CCO)c1cc(ccn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H25N7O3/c1-32(10-11-33)21-13-17(8-9-27-21)25(35)31-18-5-2-4-16(12-18)14-28-24-20-7-3-6-19(23(26)34)22(20)29-15-30-24/h2-9,12-13,15,33H,10-11,14H2,1H3,(H2,26,34)(H,31,35)(H,28,29,30)
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n/an/a 1.70n/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 A


(Homo sapiens (Human))
BDBM116617
PNG
(US8637532, 312)
Show SMILES CN1CCN(CC1)c1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C27H28N8O2/c1-34-10-12-35(13-11-34)23-9-8-19(16-29-23)27(37)33-20-5-2-4-18(14-20)15-30-26-22-7-3-6-21(25(28)36)24(22)31-17-32-26/h2-9,14,16-17H,10-13,15H2,1H3,(H2,28,36)(H,33,37)(H,30,31,32)
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n/an/a 2.30n/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))
BDBM116648
PNG
(US8637532, 348)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cncc(c4)N4CCOCC4)c3)ncnc12
Show InChI InChI=1S/C26H25N7O3/c27-24(34)21-5-2-6-22-23(21)30-16-31-25(22)29-13-17-3-1-4-19(11-17)32-26(35)18-12-20(15-28-14-18)33-7-9-36-10-8-33/h1-6,11-12,14-16H,7-10,13H2,(H2,27,34)(H,32,35)(H,29,30,31)
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n/an/a 4.40n/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))
BDBM116656
PNG
(US8637532, 357)
Show SMILES CN(CCO)c1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H25N7O3/c1-32(10-11-33)21-9-8-17(14-27-21)25(35)31-18-5-2-4-16(12-18)13-28-24-20-7-3-6-19(23(26)34)22(20)29-15-30-24/h2-9,12,14-15,33H,10-11,13H2,1H3,(H2,26,34)(H,31,35)(H,28,29,30)
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n/an/a 0.690n/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))
BDBM116767
PNG
(US8637532, 484)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(NCCO)c4)c3)ncnc12
Show InChI InChI=1S/C24H23N7O3/c25-22(33)18-5-2-6-19-21(18)29-14-30-23(19)28-13-15-3-1-4-17(11-15)31-24(34)16-7-8-26-20(12-16)27-9-10-32/h1-8,11-12,14,32H,9-10,13H2,(H2,25,33)(H,26,27)(H,31,34)(H,28,29,30)
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n/an/a 4.40n/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))
BDBM116771
PNG
(US8637532, 488)
Show SMILES CNc1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C23H21N7O2/c1-25-19-9-8-15(12-26-19)23(32)30-16-5-2-4-14(10-16)11-27-22-18-7-3-6-17(21(24)31)20(18)28-13-29-22/h2-10,12-13H,11H2,1H3,(H2,24,31)(H,25,26)(H,30,32)(H,27,28,29)
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n/an/a 0.690n/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))
BDBM116794
PNG
(US8637532, 514)
Show SMILES COCCNc1cc(ccn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H25N7O3/c1-35-11-10-28-21-13-17(8-9-27-21)25(34)32-18-5-2-4-16(12-18)14-29-24-20-7-3-6-19(23(26)33)22(20)30-15-31-24/h2-9,12-13,15H,10-11,14H2,1H3,(H2,26,33)(H,27,28)(H,32,34)(H,29,30,31)
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n/an/a 7.10n/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))
BDBM116799
PNG
(US8637532, 519)
Show SMILES COCCNc1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H25N7O3/c1-35-11-10-27-21-9-8-17(14-28-21)25(34)32-18-5-2-4-16(12-18)13-29-24-20-7-3-6-19(23(26)33)22(20)30-15-31-24/h2-9,12,14-15H,10-11,13H2,1H3,(H2,26,33)(H,27,28)(H,32,34)(H,29,30,31)
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n/an/a 0.660n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


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


US Patent US8637532 (2014)


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


(Homo sapiens (Human))
BDBM116800
PNG
(US8637532, 520)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(nc4)N4CCOCC4)c3)ncnc12
Show InChI InChI=1S/C26H25N7O3/c27-24(34)20-5-2-6-21-23(20)30-16-31-25(21)29-14-17-3-1-4-19(13-17)32-26(35)18-7-8-22(28-15-18)33-9-11-36-12-10-33/h1-8,13,15-16H,9-12,14H2,(H2,27,34)(H,32,35)(H,29,30,31)
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n/an/a 0.480n/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))
BDBM116801
PNG
(US8637532, 521)
Show SMILES CC(C)CNc1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C26H27N7O2/c1-16(2)12-28-22-10-9-18(14-29-22)26(35)33-19-6-3-5-17(11-19)13-30-25-21-8-4-7-20(24(27)34)23(21)31-15-32-25/h3-11,14-16H,12-13H2,1-2H3,(H2,27,34)(H,28,29)(H,33,35)(H,30,31,32)
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n/an/a 0.480n/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))
BDBM116862
PNG
(US8637532, 588)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(c4)N4CCOCC4)c3)ncnc12
Show InChI InChI=1S/C27H26N6O3/c28-25(34)22-8-3-9-23-24(22)30-17-31-26(23)29-16-18-4-1-6-20(14-18)32-27(35)19-5-2-7-21(15-19)33-10-12-36-13-11-33/h1-9,14-15,17H,10-13,16H2,(H2,28,34)(H,32,35)(H,29,30,31)
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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))
BDBM116975
PNG
(US8637532, 702)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(nc4)N4CCCCC4)c3)ncnc12
Show InChI InChI=1S/C27H27N7O2/c28-25(35)21-8-5-9-22-24(21)31-17-32-26(22)30-15-18-6-4-7-20(14-18)33-27(36)19-10-11-23(29-16-19)34-12-2-1-3-13-34/h4-11,14,16-17H,1-3,12-13,15H2,(H2,28,35)(H,33,36)(H,30,31,32)
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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 B


(Homo sapiens (Human))
BDBM116390
PNG
(US8637532, 71)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H24N6O2/c1-31(2)19-11-9-17(10-12-19)25(33)30-18-6-3-5-16(13-18)14-27-24-21-8-4-7-20(23(26)32)22(21)28-15-29-24/h3-13,15H,14H2,1-2H3,(H2,26,32)(H,30,33)(H,27,28,29)
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n/an/a 0.520n/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))
BDBM116417
PNG
(US8637532, 98)
Show SMILES CN(C)c1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H23N7O2/c1-31(2)20-10-9-16(13-26-20)24(33)30-17-6-3-5-15(11-17)12-27-23-19-8-4-7-18(22(25)32)21(19)28-14-29-23/h3-11,13-14H,12H2,1-2H3,(H2,25,32)(H,30,33)(H,27,28,29)
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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))
BDBM116419
PNG
(US8637532, 100)
Show SMILES CN(C)c1cc(ccn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H23N7O2/c1-31(2)20-12-16(9-10-26-20)24(33)30-17-6-3-5-15(11-17)13-27-23-19-8-4-7-18(22(25)32)21(19)28-14-29-23/h3-12,14H,13H2,1-2H3,(H2,25,32)(H,30,33)(H,27,28,29)
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n/an/a 2.60n/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))
BDBM116648
PNG
(US8637532, 348)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cncc(c4)N4CCOCC4)c3)ncnc12
Show InChI InChI=1S/C26H25N7O3/c27-24(34)21-5-2-6-22-23(21)30-16-31-25(22)29-13-17-3-1-4-19(11-17)32-26(35)18-12-20(15-28-14-18)33-7-9-36-10-8-33/h1-6,11-12,14-16H,7-10,13H2,(H2,27,34)(H,32,35)(H,29,30,31)
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n/an/a 21n/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))
BDBM116656
PNG
(US8637532, 357)
Show SMILES CN(CCO)c1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H25N7O3/c1-32(10-11-33)21-9-8-17(14-27-21)25(35)31-18-5-2-4-16(12-18)13-28-24-20-7-3-6-19(23(26)34)22(20)29-15-30-24/h2-9,12,14-15,33H,10-11,13H2,1H3,(H2,26,34)(H,31,35)(H,28,29,30)
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n/an/a 11n/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))
BDBM116767
PNG
(US8637532, 484)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(NCCO)c4)c3)ncnc12
Show InChI InChI=1S/C24H23N7O3/c25-22(33)18-5-2-6-19-21(18)29-14-30-23(19)28-13-15-3-1-4-17(11-15)31-24(34)16-7-8-26-20(12-16)27-9-10-32/h1-8,11-12,14,32H,9-10,13H2,(H2,25,33)(H,26,27)(H,31,34)(H,28,29,30)
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n/an/a 18n/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))
BDBM116771
PNG
(US8637532, 488)
Show SMILES CNc1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C23H21N7O2/c1-25-19-9-8-15(12-26-19)23(32)30-16-5-2-4-14(10-16)11-27-22-18-7-3-6-17(21(24)31)20(18)28-13-29-22/h2-10,12-13H,11H2,1H3,(H2,24,31)(H,25,26)(H,30,32)(H,27,28,29)
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n/an/a 0.260n/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))
BDBM116794
PNG
(US8637532, 514)
Show SMILES COCCNc1cc(ccn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H25N7O3/c1-35-11-10-28-21-13-17(8-9-27-21)25(34)32-18-5-2-4-16(12-18)14-29-24-20-7-3-6-19(23(26)33)22(20)30-15-31-24/h2-9,12-13,15H,10-11,14H2,1H3,(H2,26,33)(H,27,28)(H,32,34)(H,29,30,31)
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n/an/a 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))
BDBM116862
PNG
(US8637532, 588)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(c4)N4CCOCC4)c3)ncnc12
Show InChI InChI=1S/C27H26N6O3/c28-25(34)22-8-3-9-23-24(22)30-17-31-26(23)29-16-18-4-1-6-20(14-18)32-27(35)19-5-2-7-21(15-19)33-10-12-36-13-11-33/h1-9,14-15,17H,10-13,16H2,(H2,28,34)(H,32,35)(H,29,30,31)
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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 B


(Homo sapiens (Human))
BDBM116975
PNG
(US8637532, 702)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(nc4)N4CCCCC4)c3)ncnc12
Show InChI InChI=1S/C27H27N7O2/c28-25(35)21-8-5-9-22-24(21)31-17-32-26(22)30-15-18-6-4-7-20(14-18)33-27(36)19-10-11-23(29-16-19)34-12-2-1-3-13-34/h4-11,14,16-17H,1-3,12-13,15H2,(H2,28,35)(H,33,36)(H,30,31,32)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.810n/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))
BDBM116417
PNG
(US8637532, 98)
Show SMILES CN(C)c1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H23N7O2/c1-31(2)20-10-9-16(13-26-20)24(33)30-17-6-3-5-15(11-17)12-27-23-19-8-4-7-18(22(25)32)21(19)28-14-29-23/h3-11,13-14H,12H2,1-2H3,(H2,25,32)(H,30,33)(H,27,28,29)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 14.8n/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