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14 similar compounds to monomer 116811

Compile data set for download or QSAR
Wt: 403.4
BDBM116758
Wt: 431.5
BDBM116764
Wt: 411.4
BDBM116818
Wt: 441.4
BDBM116833
Wt: 403.4
BDBM116841
Wt: 425.4
BDBM116845
Wt: 443.4
BDBM116846
Wt: 391.4
BDBM116850
Wt: 439.4
BDBM116860
Wt: 453.3
BDBM116861
Wt: 494.5
BDBM116871
Wt: 425.4
BDBM116872
Wt: 445.4
BDBM116873
Wt: 417.3
BDBM116875

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 116758,116764,116818,116833,116841,116845,116846,116850,116860,116861,116871,116872,116873,116875   
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))
BDBM116758
PNG
(US8637532, 472)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CCCC2)c1
Show InChI InChI=1S/C23H25N5O2/c1-14(16-8-4-9-17(12-16)28-23(30)15-6-2-3-7-15)27-22-19-11-5-10-18(21(24)29)20(19)25-13-26-22/h4-5,8-15H,2-3,6-7H2,1H3,(H2,24,29)(H,28,30)(H,25,26,27)/t14-/m1/s1
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n/an/a 58n/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))
BDBM116875
PNG
(US8637532, 601)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)CC(F)(F)F)c1
Show InChI InChI=1S/C20H18F3N5O2/c1-11(12-4-2-5-13(8-12)28-16(29)9-20(21,22)23)27-19-15-7-3-6-14(18(24)30)17(15)25-10-26-19/h2-8,10-11H,9H2,1H3,(H2,24,30)(H,28,29)(H,25,26,27)
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n/an/a 4.20n/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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116818
PNG
(US8637532, 544)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC2(F)F)c1
Show InChI InChI=1S/C21H19F2N5O2/c1-11(12-4-2-5-13(8-12)28-20(30)16-9-21(16,22)23)27-19-15-7-3-6-14(18(24)29)17(15)25-10-26-19/h2-8,10-11,16H,9H2,1H3,(H2,24,29)(H,28,30)(H,25,26,27)
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n/an/a 190n/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))
BDBM116841
PNG
(US8637532, 567)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC2(C)C)c1
Show InChI InChI=1S/C23H25N5O2/c1-13(14-6-4-7-15(10-14)28-22(30)18-11-23(18,2)3)27-21-17-9-5-8-16(20(24)29)19(17)25-12-26-21/h4-10,12-13,18H,11H2,1-3H3,(H2,24,29)(H,28,30)(H,25,26,27)/t13-,18?/m1/s1
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n/an/a 160n/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))
BDBM116845
PNG
(US8637532, 571)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC(F)(F)C2)c1
Show InChI InChI=1S/C22H21F2N5O2/c1-12(28-20-17-7-3-6-16(19(25)30)18(17)26-11-27-20)13-4-2-5-15(8-13)29-21(31)14-9-22(23,24)10-14/h2-8,11-12,14H,9-10H2,1H3,(H2,25,30)(H,29,31)(H,26,27,28)
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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))
BDBM116846
PNG
(US8637532, 572)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2(CC2)C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N5O2/c1-12(29-19-16-7-3-6-15(18(26)31)17(16)27-11-28-19)13-4-2-5-14(10-13)30-20(32)21(8-9-21)22(23,24)25/h2-7,10-12H,8-9H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 290n/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))
BDBM116850
PNG
(US8637532, 576)
Show SMILES CCC(C)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C22H25N5O2/c1-4-13(2)22(29)27-16-8-5-7-15(11-16)14(3)26-21-18-10-6-9-17(20(23)28)19(18)24-12-25-21/h5-14H,4H2,1-3H3,(H2,23,28)(H,27,29)(H,24,25,26)/t13?,14-/m1/s1
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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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116860
PNG
(US8637532, 586)
Show SMILES CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC(F)(F)C2)c1
Show InChI InChI=1S/C23H23F2N5O2/c1-2-18(30-21-17-8-4-7-16(20(26)31)19(17)27-12-28-21)13-5-3-6-15(9-13)29-22(32)14-10-23(24,25)11-14/h3-9,12,14,18H,2,10-11H2,1H3,(H2,26,31)(H,29,32)(H,27,28,30)
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n/an/a 180n/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))
BDBM116861
PNG
(US8637532, 587)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C(F)(F)C(F)(F)F)c1
Show InChI InChI=1S/C20H16F5N5O2/c1-10(29-17-14-7-3-6-13(16(26)31)15(14)27-9-28-17)11-4-2-5-12(8-11)30-18(32)19(21,22)20(23,24)25/h2-10H,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 890n/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))
BDBM116872
PNG
(US8637532, 598)
Show SMILES CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC2(F)F)c1
Show InChI InChI=1S/C22H21F2N5O2/c1-2-17(12-5-3-6-13(9-12)28-21(31)16-10-22(16,23)24)29-20-15-8-4-7-14(19(25)30)18(15)26-11-27-20/h3-9,11,16-17H,2,10H2,1H3,(H2,25,30)(H,28,31)(H,26,27,29)
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n/an/a 130n/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))
BDBM116873
PNG
(US8637532, 599)
Show SMILES CC(CC(F)(F)F)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C22H22F3N5O2/c1-12(10-22(23,24)25)21(32)30-15-6-3-5-14(9-15)13(2)29-20-17-8-4-7-16(19(26)31)18(17)27-11-28-20/h3-9,11-13H,10H2,1-2H3,(H2,26,31)(H,30,32)(H,27,28,29)/t12?,13-/m1/s1
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n/an/a 410n/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))
BDBM116875
PNG
(US8637532, 601)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)CC(F)(F)F)c1
Show InChI InChI=1S/C20H18F3N5O2/c1-11(12-4-2-5-13(8-12)28-16(29)9-20(21,22)23)27-19-15-7-3-6-14(18(24)30)17(15)25-10-26-19/h2-8,10-11H,9H2,1H3,(H2,24,30)(H,28,29)(H,25,26,27)
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n/an/a 300n/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))
BDBM116758
PNG
(US8637532, 472)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CCCC2)c1
Show InChI InChI=1S/C23H25N5O2/c1-14(16-8-4-9-17(12-16)28-23(30)15-6-2-3-7-15)27-22-19-11-5-10-18(21(24)29)20(19)25-13-26-22/h4-5,8-15H,2-3,6-7H2,1H3,(H2,24,29)(H,28,30)(H,25,26,27)/t14-/m1/s1
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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))
BDBM116818
PNG
(US8637532, 544)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC2(F)F)c1
Show InChI InChI=1S/C21H19F2N5O2/c1-11(12-4-2-5-13(8-12)28-20(30)16-9-21(16,22)23)27-19-15-7-3-6-14(18(24)29)17(15)25-10-26-19/h2-8,10-11,16H,9H2,1H3,(H2,24,29)(H,28,30)(H,25,26,27)
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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))
BDBM116833
PNG
(US8637532, 559)
Show SMILES NC(=O)c1cccc2c(NC(CCO)c3cccc(NC(=O)C4CC4(F)F)c3)ncnc12
Show InChI InChI=1S/C22H21F2N5O3/c23-22(24)10-16(22)21(32)28-13-4-1-3-12(9-13)17(7-8-30)29-20-15-6-2-5-14(19(25)31)18(15)26-11-27-20/h1-6,9,11,16-17,30H,7-8,10H2,(H2,25,31)(H,28,32)(H,26,27,29)
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n/an/a 0.490n/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))
BDBM116841
PNG
(US8637532, 567)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC2(C)C)c1
Show InChI InChI=1S/C23H25N5O2/c1-13(14-6-4-7-15(10-14)28-22(30)18-11-23(18,2)3)27-21-17-9-5-8-16(20(24)29)19(17)25-12-26-21/h4-10,12-13,18H,11H2,1-3H3,(H2,24,29)(H,28,30)(H,25,26,27)/t13-,18?/m1/s1
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n/an/a 0.75n/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))
BDBM116845
PNG
(US8637532, 571)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC(F)(F)C2)c1
Show InChI InChI=1S/C22H21F2N5O2/c1-12(28-20-17-7-3-6-16(19(25)30)18(17)26-11-27-20)13-4-2-5-15(8-13)29-21(31)14-9-22(23,24)10-14/h2-8,11-12,14H,9-10H2,1H3,(H2,25,30)(H,29,31)(H,26,27,28)
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n/an/a 0.860n/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))
BDBM116846
PNG
(US8637532, 572)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2(CC2)C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N5O2/c1-12(29-19-16-7-3-6-15(18(26)31)17(16)27-11-28-19)13-4-2-5-14(10-13)30-20(32)21(8-9-21)22(23,24)25/h2-7,10-12H,8-9H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 0.860n/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))
BDBM116850
PNG
(US8637532, 576)
Show SMILES CCC(C)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C22H25N5O2/c1-4-13(2)22(29)27-16-8-5-7-15(11-16)14(3)26-21-18-10-6-9-17(20(23)28)19(18)24-12-25-21/h5-14H,4H2,1-3H3,(H2,23,28)(H,27,29)(H,24,25,26)/t13?,14-/m1/s1
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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))
BDBM116860
PNG
(US8637532, 586)
Show SMILES CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC(F)(F)C2)c1
Show InChI InChI=1S/C23H23F2N5O2/c1-2-18(30-21-17-8-4-7-16(20(26)31)19(17)27-12-28-21)13-5-3-6-15(9-13)29-22(32)14-10-23(24,25)11-14/h3-9,12,14,18H,2,10-11H2,1H3,(H2,26,31)(H,29,32)(H,27,28,30)
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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))
BDBM116861
PNG
(US8637532, 587)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C(F)(F)C(F)(F)F)c1
Show InChI InChI=1S/C20H16F5N5O2/c1-10(29-17-14-7-3-6-13(16(26)31)15(14)27-9-28-17)11-4-2-5-12(8-11)30-18(32)19(21,22)20(23,24)25/h2-10H,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 A


(Homo sapiens (Human))
BDBM116871
PNG
(US8637532, 597)
Show SMILES NC(=O)c1cccc2c(NC(CCN3CCCC3)c3cccc(NC(=O)C4CC4(F)F)c3)ncnc12
Show InChI InChI=1S/C26H28F2N6O2/c27-26(28)14-20(26)25(36)32-17-6-3-5-16(13-17)21(9-12-34-10-1-2-11-34)33-24-19-8-4-7-18(23(29)35)22(19)30-15-31-24/h3-8,13,15,20-21H,1-2,9-12,14H2,(H2,29,35)(H,32,36)(H,30,31,33)
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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 A


(Homo sapiens (Human))
BDBM116872
PNG
(US8637532, 598)
Show SMILES CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC2(F)F)c1
Show InChI InChI=1S/C22H21F2N5O2/c1-2-17(12-5-3-6-13(9-12)28-21(31)16-10-22(16,23)24)29-20-15-8-4-7-14(19(25)30)18(15)26-11-27-20/h3-9,11,16-17H,2,10H2,1H3,(H2,25,30)(H,28,31)(H,26,27,29)
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n/an/a 2.5n/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))
BDBM116873
PNG
(US8637532, 599)
Show SMILES CC(CC(F)(F)F)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C22H22F3N5O2/c1-12(10-22(23,24)25)21(32)30-15-6-3-5-14(9-15)13(2)29-20-17-8-4-7-16(19(26)31)18(17)27-11-28-20/h3-9,11-13H,10H2,1-2H3,(H2,26,31)(H,30,32)(H,27,28,29)/t12?,13-/m1/s1
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n/an/a 2.5n/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))
BDBM116875
PNG
(US8637532, 601)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)CC(F)(F)F)c1
Show InChI InChI=1S/C20H18F3N5O2/c1-11(12-4-2-5-13(8-12)28-16(29)9-20(21,22)23)27-19-15-7-3-6-14(18(24)30)17(15)25-10-26-19/h2-8,10-11H,9H2,1H3,(H2,24,30)(H,28,29)(H,25,26,27)
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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 B


(Homo sapiens (Human))
BDBM116845
PNG
(US8637532, 571)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC(F)(F)C2)c1
Show InChI InChI=1S/C22H21F2N5O2/c1-12(28-20-17-7-3-6-16(19(25)30)18(17)26-11-27-20)13-4-2-5-15(8-13)29-21(31)14-9-22(23,24)10-14/h2-8,11-12,14H,9-10H2,1H3,(H2,25,30)(H,29,31)(H,26,27,28)
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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))
BDBM116860
PNG
(US8637532, 586)
Show SMILES CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC(F)(F)C2)c1
Show InChI InChI=1S/C23H23F2N5O2/c1-2-18(30-21-17-8-4-7-16(20(26)31)19(17)27-12-28-21)13-5-3-6-15(9-13)29-22(32)14-10-23(24,25)11-14/h3-9,12,14,18H,2,10-11H2,1H3,(H2,26,31)(H,29,32)(H,27,28,30)
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n/an/a 0.5n/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))
BDBM116861
PNG
(US8637532, 587)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C(F)(F)C(F)(F)F)c1
Show InChI InChI=1S/C20H16F5N5O2/c1-10(29-17-14-7-3-6-13(16(26)31)15(14)27-9-28-17)11-4-2-5-12(8-11)30-18(32)19(21,22)20(23,24)25/h2-10H,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 15n/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))
BDBM116872
PNG
(US8637532, 598)
Show SMILES CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC2(F)F)c1
Show InChI InChI=1S/C22H21F2N5O2/c1-2-17(12-5-3-6-13(9-12)28-21(31)16-10-22(16,23)24)29-20-15-8-4-7-14(19(25)30)18(15)26-11-27-20/h3-9,11,16-17H,2,10H2,1H3,(H2,25,30)(H,28,31)(H,26,27,29)
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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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116764
PNG
(US8637532, 478)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CCC(C)CC2)c1
Show InChI InChI=1S/C25H29N5O2/c1-15-9-11-17(12-10-15)25(32)30-19-6-3-5-18(13-19)16(2)29-24-21-8-4-7-20(23(26)31)22(21)27-14-28-24/h3-8,13-17H,9-12H2,1-2H3,(H2,26,31)(H,30,32)(H,27,28,29)/t15?,16-,17?/m1/s1
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n/an/a 61n/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