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9 similar compounds to monomer 116803

Compile data set for download or QSAR
Wt: 427.4
BDBM116941
Wt: 509.4
BDBM116774
Wt: 457.4
BDBM116780
Wt: 457.4
BDBM116838
Wt: 470.5
BDBM116864
Wt: 441.4
BDBM116892
Wt: 427.4
BDBM116387
Wt: 481.4
BDBM116389
Wt: 465.4
BDBM116371

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 116941,116774,116780,116838,116864,116892,116387,116389,116371   
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))
BDBM116941
PNG
(US8637532, 668)
Show SMILES COc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H21N5O3/c1-32-20-11-3-2-8-17(20)24(31)29-16-7-4-6-15(12-16)13-26-23-19-10-5-9-18(22(25)30)21(19)27-14-28-23/h2-12,14H,13H2,1H3,(H2,25,30)(H,29,31)(H,26,27,28)
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n/an/a 4.60n/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))
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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116774
PNG
(US8637532, 491)
Show SMILES COc1ccc(cc1C(F)(F)F)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C26H22F3N5O3/c1-14(33-24-19-8-4-7-18(23(30)35)22(19)31-13-32-24)15-5-3-6-17(11-15)34-25(36)16-9-10-21(37-2)20(12-16)26(27,28)29/h3-14H,1-2H3,(H2,30,35)(H,34,36)(H,31,32,33)/t14-/m1/s1
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n/an/a 67n/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))
BDBM116780
PNG
(US8637532, 497)
Show SMILES COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c(OC)c1
Show InChI InChI=1S/C25H23N5O4/c1-33-17-9-10-18(21(12-17)34-2)25(32)30-16-6-3-5-15(11-16)13-27-24-20-8-4-7-19(23(26)31)22(20)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 72n/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))
BDBM116838
PNG
(US8637532, 564)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(CO)cc23)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O4/c1-34-19-7-5-17(6-8-19)25(33)30-18-4-2-3-15(9-18)12-27-24-21-11-16(13-31)10-20(23(26)32)22(21)28-14-29-24/h2-11,14,31H,12-13H2,1H3,(H2,26,32)(H,30,33)(H,27,28,29)
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n/an/a 3.10E+3n/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))
BDBM116864
PNG
(US8637532, 590)
Show SMILES CNCc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1
Show InChI InChI=1S/C26H26N6O3/c1-28-13-17-11-21(24(27)33)23-22(12-17)25(31-15-30-23)29-14-16-4-3-5-19(10-16)32-26(34)18-6-8-20(35-2)9-7-18/h3-12,15,28H,13-14H2,1-2H3,(H2,27,33)(H,32,34)(H,29,30,31)
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n/an/a 2.30E+3n/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))
BDBM116387
PNG
(US8637532, 68)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H21N5O3/c1-32-18-10-8-16(9-11-18)24(31)29-17-5-2-4-15(12-17)13-26-23-20-7-3-6-19(22(25)30)21(20)27-14-28-23/h2-12,14H,13H2,1H3,(H2,25,30)(H,29,31)(H,26,27,28)
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n/an/a 0.290n/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))
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))
BDBM116780
PNG
(US8637532, 497)
Show SMILES COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c(OC)c1
Show InChI InChI=1S/C25H23N5O4/c1-33-17-9-10-18(21(12-17)34-2)25(32)30-16-6-3-5-15(11-16)13-27-24-20-8-4-7-19(23(26)31)22(20)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 0.770n/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))
BDBM116838
PNG
(US8637532, 564)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(CO)cc23)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O4/c1-34-19-7-5-17(6-8-19)25(33)30-18-4-2-3-15(9-18)12-27-24-21-11-16(13-31)10-20(23(26)32)22(21)28-14-29-24/h2-11,14,31H,12-13H2,1H3,(H2,26,32)(H,30,33)(H,27,28,29)
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n/an/a 0.580n/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))
BDBM116864
PNG
(US8637532, 590)
Show SMILES CNCc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1
Show InChI InChI=1S/C26H26N6O3/c1-28-13-17-11-21(24(27)33)23-22(12-17)25(31-15-30-23)29-14-16-4-3-5-19(10-16)32-26(34)18-6-8-20(35-2)9-7-18/h3-12,15,28H,13-14H2,1-2H3,(H2,27,33)(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
Aurora kinase A


(Homo sapiens (Human))
BDBM116892
PNG
(US8637532, 618)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(C)c(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O3/c1-15-6-9-18(30-25(32)16-7-10-19(33-2)11-8-16)12-17(15)13-27-24-21-5-3-4-20(23(26)31)22(21)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 9.10n/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))
BDBM116941
PNG
(US8637532, 668)
Show SMILES COc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H21N5O3/c1-32-20-11-3-2-8-17(20)24(31)29-16-7-4-6-15(12-16)13-26-23-19-10-5-9-18(22(25)30)21(19)27-14-28-23/h2-12,14H,13H2,1H3,(H2,25,30)(H,29,31)(H,26,27,28)
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n/an/a 0.370n/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))
BDBM116387
PNG
(US8637532, 68)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H21N5O3/c1-32-18-10-8-16(9-11-18)24(31)29-17-5-2-4-15(12-17)13-26-23-20-7-3-6-19(22(25)30)21(20)27-14-28-23/h2-12,14H,13H2,1H3,(H2,25,30)(H,29,31)(H,26,27,28)
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n/an/a 0.350n/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))
BDBM116780
PNG
(US8637532, 497)
Show SMILES COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c(OC)c1
Show InChI InChI=1S/C25H23N5O4/c1-33-17-9-10-18(21(12-17)34-2)25(32)30-16-6-3-5-15(11-16)13-27-24-20-8-4-7-19(23(26)31)22(20)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 3.60n/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))
BDBM116838
PNG
(US8637532, 564)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(CO)cc23)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O4/c1-34-19-7-5-17(6-8-19)25(33)30-18-4-2-3-15(9-18)12-27-24-21-11-16(13-31)10-20(23(26)32)22(21)28-14-29-24/h2-11,14,31H,12-13H2,1H3,(H2,26,32)(H,30,33)(H,27,28,29)
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n/an/a 0.960n/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))
BDBM116892
PNG
(US8637532, 618)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(C)c(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O3/c1-15-6-9-18(30-25(32)16-7-10-19(33-2)11-8-16)12-17(15)13-27-24-21-5-3-4-20(23(26)31)22(21)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 32n/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))
BDBM116387
PNG
(US8637532, 68)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H21N5O3/c1-32-18-10-8-16(9-11-18)24(31)29-17-5-2-4-15(12-17)13-26-23-20-7-3-6-19(22(25)30)21(20)27-14-28-23/h2-12,14H,13H2,1H3,(H2,25,30)(H,29,31)(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 20.2n/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