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13 similar compounds to monomer 116598

Compile data set for download or QSAR
Wt: 413.4
BDBM116760
Wt: 428.4
BDBM116714
Wt: 472.4
BDBM116719
Wt: 456.4
BDBM116750
Wt: 442.4
BDBM116548
Wt: 456.4
BDBM116560
Wt: 476.9
BDBM116575
Wt: 442.4
BDBM116577
Wt: 472.4
BDBM116586
Wt: 459.4
BDBM116646
Wt: 411.4
BDBM116657
Wt: 476.9
BDBM116671
Wt: 443.4
BDBM116686

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 116760,116714,116719,116750,116548,116560,116575,116577,116586,116646,116657,116671,116686   
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))
BDBM116548
PNG
(US8637532, 239)
Show SMILES COc1ccc(cn1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C24H22N6O3/c1-14(29-23-19-8-4-7-18(22(25)31)21(19)27-13-28-23)15-5-3-6-17(11-15)30-24(32)16-9-10-20(33-2)26-12-16/h3-14H,1-2H3,(H2,25,31)(H,30,32)(H,27,28,29)/t14-/m1/s1
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n/an/a 3.30n/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))
BDBM116750
PNG
(US8637532, 463)
Show SMILES CCOc1cc(ccn1)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C25H24N6O3/c1-3-34-21-13-17(10-11-27-21)25(33)31-18-7-4-6-16(12-18)15(2)30-24-20-9-5-8-19(23(26)32)22(20)28-14-29-24/h4-15H,3H2,1-2H3,(H2,26,32)(H,31,33)(H,28,29,30)
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n/an/a 2.10n/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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116575
PNG
(US8637532, 267)
Show SMILES COc1ncc(cc1Cl)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C24H21ClN6O3/c1-13(30-22-18-8-4-7-17(21(26)32)20(18)28-12-29-22)14-5-3-6-16(9-14)31-23(33)15-10-19(25)24(34-2)27-11-15/h3-13H,1-2H3,(H2,26,32)(H,31,33)(H,28,29,30)/t13-/m1/s1
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n/an/a 5.90n/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))
BDBM116577
PNG
(US8637532, 269)
Show SMILES COc1cc(ccn1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C24H22N6O3/c1-14(29-23-19-8-4-7-18(22(25)31)21(19)27-13-28-23)15-5-3-6-17(11-15)30-24(32)16-9-10-26-20(12-16)33-2/h3-14H,1-2H3,(H2,25,31)(H,30,32)(H,27,28,29)/t14-/m1/s1
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n/an/a 6.30n/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))
BDBM116586
PNG
(US8637532, 278)
Show SMILES COc1cc(cnc1OC)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C25H24N6O4/c1-14(30-23-19-9-5-8-18(22(26)32)21(19)28-13-29-23)15-6-4-7-17(10-15)31-24(33)16-11-20(34-2)25(35-3)27-12-16/h4-14H,1-3H3,(H2,26,32)(H,31,33)(H,28,29,30)/t14-/m1/s1
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n/an/a 7.30n/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))
BDBM116646
PNG
(US8637532, 345)
Show SMILES COc1ccc(C(=O)Nc2cccc(c2)[C@@H](C)Nc2ncnc3c(cccc23)C(N)=O)c(F)c1
Show InChI InChI=1S/C25H22FN5O3/c1-14(30-24-20-8-4-7-19(23(27)32)22(20)28-13-29-24)15-5-3-6-16(11-15)31-25(33)18-10-9-17(34-2)12-21(18)26/h3-14H,1-2H3,(H2,27,32)(H,31,33)(H,28,29,30)/t14-/m1/s1
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n/an/a 18n/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))
BDBM116657
PNG
(US8637532, 358)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C24H21N5O2/c1-15(28-23-20-12-6-11-19(22(25)30)21(20)26-14-27-23)17-9-5-10-18(13-17)29-24(31)16-7-3-2-4-8-16/h2-15H,1H3,(H2,25,30)(H,29,31)(H,26,27,28)
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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))
BDBM116671
PNG
(US8637532, 373)
Show SMILES COc1ccc(C(=O)Nc2cccc(c2)[C@@H](C)Nc2ncnc3c(cccc23)C(N)=O)c(Cl)n1
Show InChI InChI=1S/C24H21ClN6O3/c1-13(29-23-17-8-4-7-16(22(26)32)20(17)27-12-28-23)14-5-3-6-15(11-14)30-24(33)18-9-10-19(34-2)31-21(18)25/h3-13H,1-2H3,(H2,26,32)(H,30,33)(H,27,28,29)/t13-/m1/s1
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n/an/a 23n/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))
BDBM116686
PNG
(US8637532, 389)
Show SMILES COc1ncc(cn1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C23H21N7O3/c1-13(29-21-18-8-4-7-17(20(24)31)19(18)27-12-28-21)14-5-3-6-16(9-14)30-22(32)15-10-25-23(33-2)26-11-15/h3-13H,1-2H3,(H2,24,31)(H,30,32)(H,27,28,29)/t13-/m1/s1
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n/an/a 26n/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))
BDBM116714
PNG
(US8637532, 423)
Show SMILES COc1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C23H20N6O3/c1-32-19-9-8-15(12-25-19)23(31)29-16-5-2-4-14(10-16)11-26-22-18-7-3-6-17(21(24)30)20(18)27-13-28-22/h2-10,12-13H,11H2,1H3,(H2,24,30)(H,29,31)(H,26,27,28)
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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))
BDBM116719
PNG
(US8637532, 428)
Show SMILES COc1ccc(C(=O)Nc2cccc(c2)[C@@H](C)Nc2ncnc3c(cccc23)C(N)=O)c(OC)n1
Show InChI InChI=1S/C25H24N6O4/c1-14(29-23-18-9-5-8-17(22(26)32)21(18)27-13-28-23)15-6-4-7-16(12-15)30-24(33)19-10-11-20(34-2)31-25(19)35-3/h4-14H,1-3H3,(H2,26,32)(H,30,33)(H,27,28,29)/t14-/m1/s1
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n/an/a 35n/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))
BDBM116750
PNG
(US8637532, 463)
Show SMILES CCOc1cc(ccn1)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C25H24N6O3/c1-3-34-21-13-17(10-11-27-21)25(33)31-18-7-4-6-16(12-18)15(2)30-24-20-9-5-8-19(23(26)32)22(20)28-14-29-24/h4-15H,3H2,1-2H3,(H2,26,32)(H,31,33)(H,28,29,30)
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n/an/a 52n/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))
BDBM116760
PNG
(US8637532, 474)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cncnc2)c1
Show InChI InChI=1S/C22H19N7O2/c1-13(28-21-18-7-3-6-17(20(23)30)19(18)26-12-27-21)14-4-2-5-16(8-14)29-22(31)15-9-24-11-25-10-15/h2-13H,1H3,(H2,23,30)(H,29,31)(H,26,27,28)/t13-/m1/s1
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n/an/a 59n/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))
BDBM116548
PNG
(US8637532, 239)
Show SMILES COc1ccc(cn1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C24H22N6O3/c1-14(29-23-19-8-4-7-18(22(25)31)21(19)27-13-28-23)15-5-3-6-17(11-15)30-24(32)16-9-10-20(33-2)26-12-16/h3-14H,1-2H3,(H2,25,31)(H,30,32)(H,27,28,29)/t14-/m1/s1
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n/an/a 0.0700n/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))
BDBM116560
PNG
(US8637532, 251)
Show SMILES CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)nc2)c1
Show InChI InChI=1S/C25H24N6O3/c1-3-20(31-24-19-9-5-8-18(23(26)32)22(19)28-14-29-24)15-6-4-7-17(12-15)30-25(33)16-10-11-21(34-2)27-13-16/h4-14,20H,3H2,1-2H3,(H2,26,32)(H,30,33)(H,28,29,31)
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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))
BDBM116577
PNG
(US8637532, 269)
Show SMILES COc1cc(ccn1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C24H22N6O3/c1-14(29-23-19-8-4-7-18(22(25)31)21(19)27-13-28-23)15-5-3-6-17(11-15)30-24(32)16-9-10-26-20(12-16)33-2/h3-14H,1-2H3,(H2,25,31)(H,30,32)(H,27,28,29)/t14-/m1/s1
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n/an/a 0.220n/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))
BDBM116657
PNG
(US8637532, 358)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C24H21N5O2/c1-15(28-23-20-12-6-11-19(22(25)30)21(20)26-14-27-23)17-9-5-10-18(13-17)29-24(31)16-7-3-2-4-8-16/h2-15H,1H3,(H2,25,30)(H,29,31)(H,26,27,28)
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n/an/a 0.910n/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))
BDBM116686
PNG
(US8637532, 389)
Show SMILES COc1ncc(cn1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C23H21N7O3/c1-13(29-21-18-8-4-7-17(20(24)31)19(18)27-12-28-21)14-5-3-6-16(9-14)30-22(32)15-10-25-23(33-2)26-11-15/h3-13H,1-2H3,(H2,24,31)(H,30,32)(H,27,28,29)/t13-/m1/s1
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n/an/a 0.25n/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))
BDBM116750
PNG
(US8637532, 463)
Show SMILES CCOc1cc(ccn1)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C25H24N6O3/c1-3-34-21-13-17(10-11-27-21)25(33)31-18-7-4-6-16(12-18)15(2)30-24-20-9-5-8-19(23(26)32)22(20)28-14-29-24/h4-15H,3H2,1-2H3,(H2,26,32)(H,31,33)(H,28,29,30)
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n/an/a 0.470n/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))
BDBM116760
PNG
(US8637532, 474)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cncnc2)c1
Show InChI InChI=1S/C22H19N7O2/c1-13(28-21-18-7-3-6-17(20(23)30)19(18)26-12-27-21)14-4-2-5-16(8-14)29-22(31)15-9-24-11-25-10-15/h2-13H,1H3,(H2,23,30)(H,29,31)(H,26,27,28)/t13-/m1/s1
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n/an/a 1.20n/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 A


(Homo sapiens (Human))
BDBM116714
PNG
(US8637532, 423)
Show SMILES COc1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C23H20N6O3/c1-32-19-9-8-15(12-25-19)23(31)29-16-5-2-4-14(10-16)11-26-22-18-7-3-6-17(21(24)30)20(18)27-13-28-22/h2-10,12-13H,11H2,1H3,(H2,24,30)(H,29,31)(H,26,27,28)
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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 B


(Homo sapiens (Human))
BDBM116657
PNG
(US8637532, 358)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C24H21N5O2/c1-15(28-23-20-12-6-11-19(22(25)30)21(20)26-14-27-23)17-9-5-10-18(13-17)29-24(31)16-7-3-2-4-8-16/h2-15H,1H3,(H2,25,30)(H,29,31)(H,26,27,28)
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n/an/a 2.40n/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 B


(Homo sapiens (Human))
BDBM116714
PNG
(US8637532, 423)
Show SMILES COc1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C23H20N6O3/c1-32-19-9-8-15(12-25-19)23(31)29-16-5-2-4-14(10-16)11-26-22-18-7-3-6-17(21(24)30)20(18)27-13-28-22/h2-10,12-13H,11H2,1H3,(H2,24,30)(H,29,31)(H,26,27,28)
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n/an/a 0.0420n/an/an/an/an/an/a



Merck Patent GmbH

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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))
BDBM116560
PNG
(US8637532, 251)
Show SMILES CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)nc2)c1
Show InChI InChI=1S/C25H24N6O3/c1-3-20(31-24-19-9-5-8-18(23(26)32)22(19)28-14-29-24)15-6-4-7-17(12-15)30-25(33)16-10-11-21(34-2)27-13-16/h4-14,20H,3H2,1-2H3,(H2,26,32)(H,30,33)(H,28,29,31)
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n/an/a 4n/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