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7 similar compounds to monomer 116931

Compile data set for download or QSAR
Wt: 457.4
BDBM116939
Wt: 481.4
BDBM116940
Wt: 495.4
BDBM116761
Wt: 481.4
BDBM116389
Wt: 441.4
BDBM116391
Wt: 455.4
BDBM116549
Wt: 455.4
BDBM116578

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 116939,116940,116761,116389,116391,116549,116578   
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))
BDBM116389
PNG
(US8637532, 70)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(OC(F)(F)F)cc4)c3)ncnc12
Show InChI InChI=1S/C24H18F3N5O3/c25-24(26,27)35-17-9-7-15(8-10-17)23(34)32-16-4-1-3-14(11-16)12-29-22-19-6-2-5-18(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 111n/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))
BDBM116761
PNG
(US8637532, 475)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C25H20F3N5O3/c1-14(32-23-20-7-3-6-19(22(29)34)21(20)30-13-31-23)16-4-2-5-17(12-16)33-24(35)15-8-10-18(11-9-15)36-25(26,27)28/h2-14H,1H3,(H2,29,34)(H,33,35)(H,30,31,32)
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n/an/a 8.60E+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))
BDBM116549
PNG
(US8637532, 240)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C25H21N5O4/c1-14(29-24-19-7-3-6-18(23(26)31)22(19)27-12-28-24)15-4-2-5-17(10-15)30-25(32)16-8-9-20-21(11-16)34-13-33-20/h2-12,14H,13H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
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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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116578
PNG
(US8637532, 270)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C25H21N5O4/c1-14(29-24-19-7-3-6-18(23(26)31)22(19)27-12-28-24)15-4-2-5-17(10-15)30-25(32)16-8-9-20-21(11-16)34-13-33-20/h2-12,14H,13H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)/t14-/m1/s1
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n/an/a 6.5n/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))
BDBM116761
PNG
(US8637532, 475)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C25H20F3N5O3/c1-14(32-23-20-7-3-6-19(22(29)34)21(20)30-13-31-23)16-4-2-5-17(12-16)33-24(35)15-8-10-18(11-9-15)36-25(26,27)28/h2-14H,1H3,(H2,29,34)(H,33,35)(H,30,31,32)
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n/an/a 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
Aurora kinase A


(Homo sapiens (Human))
BDBM116389
PNG
(US8637532, 70)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(OC(F)(F)F)cc4)c3)ncnc12
Show InChI InChI=1S/C24H18F3N5O3/c25-24(26,27)35-17-9-7-15(8-10-17)23(34)32-16-4-1-3-14(11-16)12-29-22-19-6-2-5-18(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 1.90E+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))
BDBM116391
PNG
(US8637532, 72)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5OCOc5c4)c3)ncnc12
Show InChI InChI=1S/C24H19N5O4/c25-22(30)17-5-2-6-18-21(17)27-12-28-23(18)26-11-14-3-1-4-16(9-14)29-24(31)15-7-8-19-20(10-15)33-13-32-19/h1-10,12H,11,13H2,(H2,25,30)(H,29,31)(H,26,27,28)
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n/an/a 0.510n/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))
BDBM116549
PNG
(US8637532, 240)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C25H21N5O4/c1-14(29-24-19-7-3-6-18(23(26)31)22(19)27-12-28-24)15-4-2-5-17(10-15)30-25(32)16-8-9-20-21(11-16)34-13-33-20/h2-12,14H,13H2,1H3,(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 A


(Homo sapiens (Human))
BDBM116761
PNG
(US8637532, 475)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C25H20F3N5O3/c1-14(32-23-20-7-3-6-19(22(29)34)21(20)30-13-31-23)16-4-2-5-17(12-16)33-24(35)15-8-10-18(11-9-15)36-25(26,27)28/h2-14H,1H3,(H2,29,34)(H,33,35)(H,30,31,32)
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n/an/a 0.530n/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))
BDBM116939
PNG
(US8637532, 666)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O4/c1-33-20-10-9-16(12-21(20)34-2)25(32)30-17-6-3-5-15(11-17)13-27-24-19-8-4-7-18(23(26)31)22(19)28-14-29-24/h3-12,14H,13H2,1-2H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 0.310n/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))
BDBM116940
PNG
(US8637532, 667)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(OC(F)(F)F)c4)c3)ncnc12
Show InChI InChI=1S/C24H18F3N5O3/c25-24(26,27)35-17-7-2-5-15(11-17)23(34)32-16-6-1-4-14(10-16)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 0.720n/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))
BDBM116391
PNG
(US8637532, 72)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5OCOc5c4)c3)ncnc12
Show InChI InChI=1S/C24H19N5O4/c25-22(30)17-5-2-6-18-21(17)27-12-28-23(18)26-11-14-3-1-4-16(9-14)29-24(31)15-7-8-19-20(10-15)33-13-32-19/h1-10,12H,11,13H2,(H2,25,30)(H,29,31)(H,26,27,28)
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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 B


(Homo sapiens (Human))
BDBM116549
PNG
(US8637532, 240)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C25H21N5O4/c1-14(29-24-19-7-3-6-18(23(26)31)22(19)27-12-28-24)15-4-2-5-17(10-15)30-25(32)16-8-9-20-21(11-16)34-13-33-20/h2-12,14H,13H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 0.430n/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))
BDBM116939
PNG
(US8637532, 666)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O4/c1-33-20-10-9-16(12-21(20)34-2)25(32)30-17-6-3-5-15(11-17)13-27-24-19-8-4-7-18(23(26)31)22(19)28-14-29-24/h3-12,14H,13H2,1-2H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 0.310n/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))
BDBM116940
PNG
(US8637532, 667)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(OC(F)(F)F)c4)c3)ncnc12
Show InChI InChI=1S/C24H18F3N5O3/c25-24(26,27)35-17-7-2-5-15(11-17)23(34)32-16-6-1-4-14(10-16)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 2n/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))
BDBM116391
PNG
(US8637532, 72)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5OCOc5c4)c3)ncnc12
Show InChI InChI=1S/C24H19N5O4/c25-22(30)17-5-2-6-18-21(17)27-12-28-23(18)26-11-14-3-1-4-16(9-14)29-24(31)15-7-8-19-20(10-15)33-13-32-19/h1-10,12H,11,13H2,(H2,25,30)(H,29,31)(H,26,27,28)
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n/an/a 9.70n/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