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14 similar compounds to monomer 116690

Compile data set for download or QSAR
Wt: 429.4
BDBM116918
Wt: 401.4
BDBM116921
Wt: 427.4
BDBM116959
Wt: 524.6
BDBM116830
Wt: 538.6
BDBM116836
Wt: 540.6
BDBM117015
Wt: 539.6
BDBM116852
Wt: 553.6
BDBM116853
Wt: 485.5
BDBM116700
Wt: 443.5
BDBM116550
Wt: 457.5
BDBM116576
Wt: 457.5
BDBM116579
Wt: 451.4
BDBM116614
Wt: 469.4
BDBM116645

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 116918,116921,116959,116830,116836,117015,116852,116853,116700,116550,116576,116579,116614,116645   
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))
BDBM116550
PNG
(US8637532, 241)
Show SMILES CC(C)c1cc([nH]n1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C24H25N7O2/c1-13(2)19-11-20(31-30-19)24(33)29-16-7-4-6-15(10-16)14(3)28-23-18-9-5-8-17(22(25)32)21(18)26-12-27-23/h4-14H,1-3H3,(H2,25,32)(H,29,33)(H,30,31)(H,26,27,28)/t14-/m1/s1
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n/an/a 3.40n/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))
BDBM116959
PNG
(US8637532, 686)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cc(n[nH]4)C4CC4)c3)ncnc12
Show InChI InChI=1S/C23H21N7O2/c24-21(31)16-5-2-6-17-20(16)26-12-27-22(17)25-11-13-3-1-4-15(9-13)28-23(32)19-10-18(29-30-19)14-7-8-14/h1-6,9-10,12,14H,7-8,11H2,(H2,24,31)(H,28,32)(H,29,30)(H,25,26,27)
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n/an/a 0.0890n/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))
BDBM116579
PNG
(US8637532, 271)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(n[nH]2)C(C)(C)C)c1
Show InChI InChI=1S/C25H27N7O2/c1-14(29-23-18-10-6-9-17(22(26)33)21(18)27-13-28-23)15-7-5-8-16(11-15)30-24(34)19-12-20(32-31-19)25(2,3)4/h5-14H,1-4H3,(H2,26,33)(H,30,34)(H,31,32)(H,27,28,29)
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n/an/a 6.60n/an/an/an/a7.525



Merck Patent GmbH

US Patent


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


US Patent US8637532 (2014)


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


(Homo sapiens (Human))
BDBM116614
PNG
(US8637532, 308)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(n[nH]2)C(F)F)c1
Show InChI InChI=1S/C22H19F2N7O2/c1-11(28-21-15-7-3-6-14(20(25)32)18(15)26-10-27-21)12-4-2-5-13(8-12)29-22(33)17-9-16(19(23)24)30-31-17/h2-11,19H,1H3,(H2,25,32)(H,29,33)(H,30,31)(H,26,27,28)
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n/an/a 12n/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))
BDBM116645
PNG
(US8637532, 344)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(n[nH]2)C(F)(F)F)c1
Show InChI InChI=1S/C22H18F3N7O2/c1-11(29-20-15-7-3-6-14(19(26)33)18(15)27-10-28-20)12-4-2-5-13(8-12)30-21(34)16-9-17(32-31-16)22(23,24)25/h2-11H,1H3,(H2,26,33)(H,30,34)(H,31,32)(H,27,28,29)/t11-/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))
BDBM116700
PNG
(US8637532, 405)
Show SMILES COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(n[nH]2)C2CC2)c1
Show InChI InChI=1S/C26H27N7O3/c1-36-11-10-20(31-25-19-7-3-6-18(24(27)34)23(19)28-14-29-25)16-4-2-5-17(12-16)30-26(35)22-13-21(32-33-22)15-8-9-15/h2-7,12-15,20H,8-11H2,1H3,(H2,27,34)(H,30,35)(H,32,33)(H,28,29,31)
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n/an/a 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 A


(Homo sapiens (Human))
BDBM116550
PNG
(US8637532, 241)
Show SMILES CC(C)c1cc([nH]n1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C24H25N7O2/c1-13(2)19-11-20(31-30-19)24(33)29-16-7-4-6-15(10-16)14(3)28-23-18-9-5-8-17(22(25)32)21(18)26-12-27-23/h4-14H,1-3H3,(H2,25,32)(H,29,33)(H,30,31)(H,26,27,28)/t14-/m1/s1
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n/an/a 0.0300n/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))
BDBM116576
PNG
(US8637532, 268)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(n[nH]2)C(C)(C)C)c1
Show InChI InChI=1S/C25H27N7O2/c1-14(29-23-18-10-6-9-17(22(26)33)21(18)27-13-28-23)15-7-5-8-16(11-15)30-24(34)19-12-20(32-31-19)25(2,3)4/h5-14H,1-4H3,(H2,26,33)(H,30,34)(H,31,32)(H,27,28,29)/t14-/m1/s1
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n/an/a 0.0300n/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))
BDBM116579
PNG
(US8637532, 271)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(n[nH]2)C(C)(C)C)c1
Show InChI InChI=1S/C25H27N7O2/c1-14(29-23-18-10-6-9-17(22(26)33)21(18)27-13-28-23)15-7-5-8-16(11-15)30-24(34)19-12-20(32-31-19)25(2,3)4/h5-14H,1-4H3,(H2,26,33)(H,30,34)(H,31,32)(H,27,28,29)
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n/an/a 0.0800n/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))
BDBM116614
PNG
(US8637532, 308)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(n[nH]2)C(F)F)c1
Show InChI InChI=1S/C22H19F2N7O2/c1-11(28-21-15-7-3-6-14(20(25)32)18(15)26-10-27-21)12-4-2-5-13(8-12)29-22(33)17-9-16(19(23)24)30-31-17/h2-11,19H,1H3,(H2,25,32)(H,29,33)(H,30,31)(H,26,27,28)
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n/an/a 0.200n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


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


US Patent US8637532 (2014)


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


(Homo sapiens (Human))
BDBM116700
PNG
(US8637532, 405)
Show SMILES COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(n[nH]2)C2CC2)c1
Show InChI InChI=1S/C26H27N7O3/c1-36-11-10-20(31-25-19-7-3-6-18(24(27)34)23(19)28-14-29-25)16-4-2-5-17(12-16)30-26(35)22-13-21(32-33-22)15-8-9-15/h2-7,12-15,20H,8-11H2,1H3,(H2,27,34)(H,30,35)(H,32,33)(H,28,29,31)
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n/an/a 0.300n/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))
BDBM116830
PNG
(US8637532, 556)
Show SMILES NC(=O)c1cccc2c(NC(CCN3CCCC3)c3cccc(NC(=O)c4cc(n[nH]4)C4CC4)c3)ncnc12
Show InChI InChI=1S/C29H32N8O2/c30-27(38)21-7-4-8-22-26(21)31-17-32-28(22)34-23(11-14-37-12-1-2-13-37)19-5-3-6-20(15-19)33-29(39)25-16-24(35-36-25)18-9-10-18/h3-8,15-18,23H,1-2,9-14H2,(H2,30,38)(H,33,39)(H,35,36)(H,31,32,34)
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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))
BDBM116836
PNG
(US8637532, 562)
Show SMILES NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4cc(n[nH]4)C4CC4)c3)ncnc12
Show InChI InChI=1S/C30H34N8O2/c31-28(39)22-8-5-9-23-27(22)32-18-33-29(23)35-24(12-15-38-13-2-1-3-14-38)20-6-4-7-21(16-20)34-30(40)26-17-25(36-37-26)19-10-11-19/h4-9,16-19,24H,1-3,10-15H2,(H2,31,39)(H,34,40)(H,36,37)(H,32,33,35)
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n/an/a 0.540n/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))
BDBM116852
PNG
(US8637532, 578)
Show SMILES NC(=O)c1cccc2c(NC(CCN3CCNCC3)c3cccc(NC(=O)c4cc(n[nH]4)C4CC4)c3)ncnc12
Show InChI InChI=1S/C29H33N9O2/c30-27(39)21-5-2-6-22-26(21)32-17-33-28(22)35-23(9-12-38-13-10-31-11-14-38)19-3-1-4-20(15-19)34-29(40)25-16-24(36-37-25)18-7-8-18/h1-6,15-18,23,31H,7-14H2,(H2,30,39)(H,34,40)(H,36,37)(H,32,33,35)
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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))
BDBM116853
PNG
(US8637532, 579)
Show SMILES CN1CCN(CCC(Nc2ncnc3c(cccc23)C(N)=O)c2cccc(NC(=O)c3cc(n[nH]3)C3CC3)c2)CC1
Show InChI InChI=1S/C30H35N9O2/c1-38-12-14-39(15-13-38)11-10-24(35-29-23-7-3-6-22(28(31)40)27(23)32-18-33-29)20-4-2-5-21(16-20)34-30(41)26-17-25(36-37-26)19-8-9-19/h2-7,16-19,24H,8-15H2,1H3,(H2,31,40)(H,34,41)(H,36,37)(H,32,33,35)
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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))
BDBM116918
PNG
(US8637532, 645)
Show SMILES CC(C)c1cc([nH]n1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C23H23N7O2/c1-13(2)18-10-19(30-29-18)23(32)28-15-6-3-5-14(9-15)11-25-22-17-8-4-7-16(21(24)31)20(17)26-12-27-22/h3-10,12-13H,11H2,1-2H3,(H2,24,31)(H,28,32)(H,29,30)(H,25,26,27)
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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))
BDBM116921
PNG
(US8637532, 648)
Show SMILES Cc1cc([nH]n1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C21H19N7O2/c1-12-8-17(28-27-12)21(30)26-14-5-2-4-13(9-14)10-23-20-16-7-3-6-15(19(22)29)18(16)24-11-25-20/h2-9,11H,10H2,1H3,(H2,22,29)(H,26,30)(H,27,28)(H,23,24,25)
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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))
BDBM116959
PNG
(US8637532, 686)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cc(n[nH]4)C4CC4)c3)ncnc12
Show InChI InChI=1S/C23H21N7O2/c24-21(31)16-5-2-6-17-20(16)26-12-27-22(17)25-11-13-3-1-4-15(9-13)28-23(32)19-10-18(29-30-19)14-7-8-14/h1-6,9-10,12,14H,7-8,11H2,(H2,24,31)(H,28,32)(H,29,30)(H,25,26,27)
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n/an/a 0.230n/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))
BDBM117015
PNG
(US8637532, 744)
Show SMILES NC(=O)c1cccc2c(NC(CCN3CCOCC3)c3cccc(NC(=O)c4cc(n[nH]4)C4CC4)c3)ncnc12
Show InChI InChI=1S/C29H32N8O3/c30-27(38)21-5-2-6-22-26(21)31-17-32-28(22)34-23(9-10-37-11-13-40-14-12-37)19-3-1-4-20(15-19)33-29(39)25-16-24(35-36-25)18-7-8-18/h1-6,15-18,23H,7-14H2,(H2,30,38)(H,33,39)(H,35,36)(H,31,32,34)
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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))
BDBM116579
PNG
(US8637532, 271)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(n[nH]2)C(C)(C)C)c1
Show InChI InChI=1S/C25H27N7O2/c1-14(29-23-18-10-6-9-17(22(26)33)21(18)27-13-28-23)15-7-5-8-16(11-15)30-24(34)19-12-20(32-31-19)25(2,3)4/h5-14H,1-4H3,(H2,26,33)(H,30,34)(H,31,32)(H,27,28,29)
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n/an/a 1.30n/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 B


(Homo sapiens (Human))
BDBM116918
PNG
(US8637532, 645)
Show SMILES CC(C)c1cc([nH]n1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C23H23N7O2/c1-13(2)18-10-19(30-29-18)23(32)28-15-6-3-5-14(9-15)11-25-22-17-8-4-7-16(21(24)31)20(17)26-12-27-22/h3-10,12-13H,11H2,1-2H3,(H2,24,31)(H,28,32)(H,29,30)(H,25,26,27)
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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))
BDBM116921
PNG
(US8637532, 648)
Show SMILES Cc1cc([nH]n1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C21H19N7O2/c1-12-8-17(28-27-12)21(30)26-14-5-2-4-13(9-14)10-23-20-16-7-3-6-15(19(22)29)18(16)24-11-25-20/h2-9,11H,10H2,1H3,(H2,22,29)(H,26,30)(H,27,28)(H,23,24,25)
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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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116576
PNG
(US8637532, 268)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(n[nH]2)C(C)(C)C)c1
Show InChI InChI=1S/C25H27N7O2/c1-14(29-23-18-10-6-9-17(22(26)33)21(18)27-13-28-23)15-7-5-8-16(11-15)30-24(34)19-12-20(32-31-19)25(2,3)4/h5-14H,1-4H3,(H2,26,33)(H,30,34)(H,31,32)(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