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10 similar compounds to monomer 116932

Compile data set for download or QSAR
Wt: 483.4
BDBM116926
Wt: 498.4
BDBM116790
Wt: 496.4
BDBM116809
Wt: 426.4
BDBM116562
Wt: 480.4
BDBM116597
Wt: 494.4
BDBM116601
Wt: 426.4
BDBM116615
Wt: 480.4
BDBM116623
Wt: 494.4
BDBM116654
Wt: 465.4
BDBM116371

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 116926,116790,116809,116562,116597,116601,116615,116623,116654,116371   
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))
BDBM116371
PNG
(US8637532, 52)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(c4)C(F)(F)F)c3)ncnc12
Show InChI InChI=1S/C24H18F3N5O2/c25-24(26,27)16-6-2-5-15(11-16)23(34)32-17-7-1-4-14(10-17)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 30.7n/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
Aurora kinase B


(Homo sapiens (Human))
BDBM116926
PNG
(US8637532, 653)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(cc4F)C(F)(F)F)c3)ncnc12
Show InChI InChI=1S/C24H17F4N5O2/c25-19-10-14(24(26,27)28)7-8-16(19)23(35)33-15-4-1-3-13(9-15)11-30-22-18-6-2-5-17(21(29)34)20(18)31-12-32-22/h1-10,12H,11H2,(H2,29,34)(H,33,35)(H,30,31,32)
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n/an/a 0.210n/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))
BDBM116597
PNG
(US8637532, 291)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(nc2)C(F)(F)F)c1
Show InChI InChI=1S/C24H19F3N6O2/c1-13(32-22-18-7-3-6-17(21(28)34)20(18)30-12-31-22)14-4-2-5-16(10-14)33-23(35)15-8-9-19(29-11-15)24(25,26)27/h2-13H,1H3,(H2,28,34)(H,33,35)(H,30,31,32)
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n/an/a 9.10n/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))
BDBM116601
PNG
(US8637532, 295)
Show SMILES CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(nc2)C(F)(F)F)c1
Show InChI InChI=1S/C25H21F3N6O2/c1-2-19(34-23-18-8-4-7-17(22(29)35)21(18)31-13-32-23)14-5-3-6-16(11-14)33-24(36)15-9-10-20(30-12-15)25(26,27)28/h3-13,19H,2H2,1H3,(H2,29,35)(H,33,36)(H,31,32,34)
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n/an/a 9.40n/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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116615
PNG
(US8637532, 309)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(C)nc2)c1
Show InChI InChI=1S/C24H22N6O2/c1-14-9-10-17(12-26-14)24(32)30-18-6-3-5-16(11-18)15(2)29-23-20-8-4-7-19(22(25)31)21(20)27-13-28-23/h3-13,15H,1-2H3,(H2,25,31)(H,30,32)(H,27,28,29)
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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))
BDBM116623
PNG
(US8637532, 320)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(nc2)C(F)(F)F)c1
Show InChI InChI=1S/C24H19F3N6O2/c1-13(32-22-18-7-3-6-17(21(28)34)20(18)30-12-31-22)14-4-2-5-16(10-14)33-23(35)15-8-9-19(29-11-15)24(25,26)27/h2-13H,1H3,(H2,28,34)(H,33,35)(H,30,31,32)/t13-/m1/s1
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n/an/a 15n/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))
BDBM116654
PNG
(US8637532, 355)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(nc2C)C(F)(F)F)c1
Show InChI InChI=1S/C25H21F3N6O2/c1-13(33-23-19-8-4-7-18(22(29)35)21(19)30-12-31-23)15-5-3-6-16(11-15)34-24(36)17-9-10-20(25(26,27)28)32-14(17)2/h3-13H,1-2H3,(H2,29,35)(H,34,36)(H,30,31,33)/t13-/m1/s1
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n/an/a 20n/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))
BDBM116790
PNG
(US8637532, 508)
Show SMILES CC(Nc1ncnc2c(cc(F)cc12)C(N)=O)c1cccc(NC(=O)c2ccc(nc2)C(F)(F)F)c1
Show InChI InChI=1S/C24H18F4N6O2/c1-12(33-22-18-9-15(25)8-17(21(29)35)20(18)31-11-32-22)13-3-2-4-16(7-13)34-23(36)14-5-6-19(30-10-14)24(26,27)28/h2-12H,1H3,(H2,29,35)(H,34,36)(H,31,32,33)
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n/an/a 79n/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))
BDBM116809
PNG
(US8637532, 532)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc([nH]c2=O)C(F)(F)F)c1
Show InChI InChI=1S/C24H19F3N6O3/c1-12(31-21-16-7-3-6-15(20(28)34)19(16)29-11-30-21)13-4-2-5-14(10-13)32-22(35)17-8-9-18(24(25,26)27)33-23(17)36/h2-12H,1H3,(H2,28,34)(H,32,35)(H,33,36)(H,29,30,31)/t12-/m1/s1
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n/an/a 100n/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))
BDBM116371
PNG
(US8637532, 52)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(c4)C(F)(F)F)c3)ncnc12
Show InChI InChI=1S/C24H18F3N5O2/c25-24(26,27)16-6-2-5-15(11-16)23(34)32-17-7-1-4-14(10-17)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 1.20E+3n/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))
BDBM116562
PNG
(US8637532, 253)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(C)nc2)c1
Show InChI InChI=1S/C24H22N6O2/c1-14-9-10-17(12-26-14)24(32)30-18-6-3-5-16(11-18)15(2)29-23-20-8-4-7-19(22(25)31)21(20)27-13-28-23/h3-13,15H,1-2H3,(H2,25,31)(H,30,32)(H,27,28,29)/t15-/m1/s1
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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))
BDBM116597
PNG
(US8637532, 291)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(nc2)C(F)(F)F)c1
Show InChI InChI=1S/C24H19F3N6O2/c1-13(32-22-18-7-3-6-17(21(28)34)20(18)30-12-31-22)14-4-2-5-16(10-14)33-23(35)15-8-9-19(29-11-15)24(25,26)27/h2-13H,1H3,(H2,28,34)(H,33,35)(H,30,31,32)
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n/an/a 0.210n/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))
BDBM116601
PNG
(US8637532, 295)
Show SMILES CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(nc2)C(F)(F)F)c1
Show InChI InChI=1S/C25H21F3N6O2/c1-2-19(34-23-18-8-4-7-17(22(29)35)21(18)31-13-32-23)14-5-3-6-16(11-14)33-24(36)15-9-10-20(30-12-15)25(26,27)28/h3-13,19H,2H2,1H3,(H2,29,35)(H,33,36)(H,31,32,34)
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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))
BDBM116615
PNG
(US8637532, 309)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(C)nc2)c1
Show InChI InChI=1S/C24H22N6O2/c1-14-9-10-17(12-26-14)24(32)30-18-6-3-5-16(11-18)15(2)29-23-20-8-4-7-19(22(25)31)21(20)27-13-28-23/h3-13,15H,1-2H3,(H2,25,31)(H,30,32)(H,27,28,29)
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n/an/a 0.850n/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))
BDBM116623
PNG
(US8637532, 320)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(nc2)C(F)(F)F)c1
Show InChI InChI=1S/C24H19F3N6O2/c1-13(32-22-18-7-3-6-17(21(28)34)20(18)30-12-31-22)14-4-2-5-16(10-14)33-23(35)15-8-9-19(29-11-15)24(25,26)27/h2-13H,1H3,(H2,28,34)(H,33,35)(H,30,31,32)/t13-/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))
BDBM116790
PNG
(US8637532, 508)
Show SMILES CC(Nc1ncnc2c(cc(F)cc12)C(N)=O)c1cccc(NC(=O)c2ccc(nc2)C(F)(F)F)c1
Show InChI InChI=1S/C24H18F4N6O2/c1-12(33-22-18-9-15(25)8-17(21(29)35)20(18)31-11-32-22)13-3-2-4-16(7-13)34-23(36)14-5-6-19(30-10-14)24(26,27)28/h2-12H,1H3,(H2,29,35)(H,34,36)(H,31,32,33)
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n/an/a 0.610n/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))
BDBM116926
PNG
(US8637532, 653)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(cc4F)C(F)(F)F)c3)ncnc12
Show InChI InChI=1S/C24H17F4N5O2/c25-19-10-14(24(26,27)28)7-8-16(19)23(35)33-15-4-1-3-13(9-15)11-30-22-18-6-2-5-17(21(29)34)20(18)31-12-32-22/h1-10,12H,11H2,(H2,29,34)(H,33,35)(H,30,31,32)
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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 B


(Homo sapiens (Human))
BDBM116601
PNG
(US8637532, 295)
Show SMILES CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(nc2)C(F)(F)F)c1
Show InChI InChI=1S/C25H21F3N6O2/c1-2-19(34-23-18-8-4-7-17(22(29)35)21(18)31-13-32-23)14-5-3-6-16(11-14)33-24(36)15-9-10-20(30-12-15)25(26,27)28/h3-13,19H,2H2,1H3,(H2,29,35)(H,33,36)(H,31,32,34)
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n/an/a 1.40n/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))
BDBM116615
PNG
(US8637532, 309)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(C)nc2)c1
Show InChI InChI=1S/C24H22N6O2/c1-14-9-10-17(12-26-14)24(32)30-18-6-3-5-16(11-18)15(2)29-23-20-8-4-7-19(22(25)31)21(20)27-13-28-23/h3-13,15H,1-2H3,(H2,25,31)(H,30,32)(H,27,28,29)
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US Patent
n/an/a 0.320n/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))
BDBM116562
PNG
(US8637532, 253)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(C)nc2)c1
Show InChI InChI=1S/C24H22N6O2/c1-14-9-10-17(12-26-14)24(32)30-18-6-3-5-16(11-18)15(2)29-23-20-8-4-7-19(22(25)31)21(20)27-13-28-23/h3-13,15H,1-2H3,(H2,25,31)(H,30,32)(H,27,28,29)/t15-/m1/s1
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MMDB

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KEGG

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.10n/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