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22 similar compounds to monomer 116954

Compile data set for download or QSAR
Wt: 411.4
BDBM116924
Wt: 483.4
BDBM116926
Wt: 431.8
BDBM116934
Wt: 431.8
BDBM116944
Wt: 465.4
BDBM116991
Wt: 513.8
BDBM116697
Wt: 380.7
BDBM116475
Wt: 395.7
BDBM116491
Wt: 437.8
BDBM116492
Wt: 514.8
BDBM116494
Wt: 500.8
BDBM116495
Wt: 527.9
BDBM116496
Wt: 485.8
BDBM116497
Wt: 497.4
BDBM116743
Wt: 466.3
BDBM116559
Displayed 1 to 15 (of 22 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 116924,116926,116934,116944,116991,116697,116475,116491,116492,116494,116495,116496,116497,116743,116559   
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))
BDBM116475
PNG
(US8637532, 156)
Show SMILES NC(=O)c1cccc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
Show InChI InChI=1S/C17H12ClF3N4O/c18-13-5-4-9(6-12(13)17(19,20)21)7-23-16-11-3-1-2-10(15(22)26)14(11)24-8-25-16/h1-6,8H,7H2,(H2,22,26)(H,23,24,25)
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n/an/a 1.20n/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
Aurora kinase B


(Homo sapiens (Human))
BDBM116991
PNG
(US8637532, 718)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4C(F)(F)F)c3)ncnc12
Show InChI InChI=1S/C24H18F3N5O2/c25-24(26,27)19-10-2-1-7-16(19)23(34)32-15-6-3-5-14(11-15)12-29-22-18-9-4-8-17(21(28)33)20(18)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 3.80n/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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116492
PNG
(US8637532, 173)
Show SMILES CC(=O)Nc1cc(C(N)=O)c2ncnc(NCc3ccc(Cl)c(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C19H15ClF3N5O2/c1-9(29)28-11-5-12(17(24)30)16-13(6-11)18(27-8-26-16)25-7-10-2-3-15(20)14(4-10)19(21,22)23/h2-6,8H,7H2,1H3,(H2,24,30)(H,28,29)(H,25,26,27)
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n/an/a 141n/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))
BDBM116494
PNG
(US8637532, 175)
Show SMILES NC(=O)c1cc(NC(=O)Nc2ccccc2)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
Show InChI InChI=1S/C24H18ClF3N6O2/c25-19-7-6-13(8-18(19)24(26,27)28)11-30-22-17-10-15(9-16(21(29)35)20(17)31-12-32-22)34-23(36)33-14-4-2-1-3-5-14/h1-10,12H,11H2,(H2,29,35)(H,30,31,32)(H2,33,34,36)
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n/an/a 3.64E+4n/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))
BDBM116495
PNG
(US8637532, 176)
Show SMILES NC(=O)c1cc(NC(=O)c2ccncc2)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
Show InChI InChI=1S/C23H16ClF3N6O2/c24-18-2-1-12(7-17(18)23(25,26)27)10-30-21-16-9-14(33-22(35)13-3-5-29-6-4-13)8-15(20(28)34)19(16)31-11-32-21/h1-9,11H,10H2,(H2,28,34)(H,33,35)(H,30,31,32)
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n/an/a 356n/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))
BDBM116496
PNG
(US8637532, 177)
Show SMILES NC(=O)c1cc(NC(=O)CCc2ccccc2)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
Show InChI InChI=1S/C26H21ClF3N5O2/c27-21-8-6-16(10-20(21)26(28,29)30)13-32-25-19-12-17(11-18(24(31)37)23(19)33-14-34-25)35-22(36)9-7-15-4-2-1-3-5-15/h1-6,8,10-12,14H,7,9,13H2,(H2,31,37)(H,35,36)(H,32,33,34)
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n/an/a 1.62E+4n/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))
BDBM116497
PNG
(US8637532, 178)
Show SMILES NC(=O)c1cc(NCc2ccccc2)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
Show InChI InChI=1S/C24H19ClF3N5O/c25-20-7-6-15(8-19(20)24(26,27)28)12-31-23-18-10-16(30-11-14-4-2-1-3-5-14)9-17(22(29)34)21(18)32-13-33-23/h1-10,13,30H,11-12H2,(H2,29,34)(H,31,32,33)
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n/an/a 1.65E+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))
BDBM116559
PNG
(US8637532, 250)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)ncnc12
Show InChI InChI=1S/C23H17Cl2N5O2/c24-14-7-8-16(19(25)10-14)23(32)30-15-4-1-3-13(9-15)11-27-22-18-6-2-5-17(21(26)31)20(18)28-12-29-22/h1-10,12H,11H2,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 4n/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))
BDBM116697
PNG
(US8637532, 401)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(ccc2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C25H19ClF3N5O2/c1-13(33-23-18-7-3-6-17(22(30)35)21(18)31-12-32-23)14-4-2-5-16(10-14)34-24(36)19-11-15(25(27,28)29)8-9-20(19)26/h2-13H,1H3,(H2,30,35)(H,34,36)(H,31,32,33)/t13-/m1/s1
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n/an/a 29n/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))
BDBM116743
PNG
(US8637532, 454)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(F)cc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C25H19F4N5O2/c1-13(33-23-20-7-3-6-19(22(30)35)21(20)31-12-32-23)14-4-2-5-18(10-14)34-24(36)15-8-16(25(27,28)29)11-17(26)9-15/h2-13H,1H3,(H2,30,35)(H,34,36)(H,31,32,33)/t13-/m1/s1
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n/an/a 45n/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))
BDBM116475
PNG
(US8637532, 156)
Show SMILES NC(=O)c1cccc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
Show InChI InChI=1S/C17H12ClF3N4O/c18-13-5-4-9(6-12(13)17(19,20)21)7-23-16-11-3-1-2-10(15(22)26)14(11)24-8-25-16/h1-6,8H,7H2,(H2,22,26)(H,23,24,25)
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n/an/a 740n/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))
BDBM116492
PNG
(US8637532, 173)
Show SMILES CC(=O)Nc1cc(C(N)=O)c2ncnc(NCc3ccc(Cl)c(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C19H15ClF3N5O2/c1-9(29)28-11-5-12(17(24)30)16-13(6-11)18(27-8-26-16)25-7-10-2-3-15(20)14(4-10)19(21,22)23/h2-6,8H,7H2,1H3,(H2,24,30)(H,28,29)(H,25,26,27)
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n/an/a 3.60E+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))
BDBM116494
PNG
(US8637532, 175)
Show SMILES NC(=O)c1cc(NC(=O)Nc2ccccc2)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
Show InChI InChI=1S/C24H18ClF3N6O2/c25-19-7-6-13(8-18(19)24(26,27)28)11-30-22-17-10-15(9-16(21(29)35)20(17)31-12-32-22)34-23(36)33-14-4-2-1-3-5-14/h1-10,12H,11H2,(H2,29,35)(H,30,31,32)(H2,33,34,36)
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n/an/a 6.80E+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))
BDBM116495
PNG
(US8637532, 176)
Show SMILES NC(=O)c1cc(NC(=O)c2ccncc2)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
Show InChI InChI=1S/C23H16ClF3N6O2/c24-18-2-1-12(7-17(18)23(25,26)27)10-30-21-16-9-14(33-22(35)13-3-5-29-6-4-13)8-15(20(28)34)19(16)31-11-32-21/h1-9,11H,10H2,(H2,28,34)(H,33,35)(H,30,31,32)
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n/an/a 950n/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))
BDBM116496
PNG
(US8637532, 177)
Show SMILES NC(=O)c1cc(NC(=O)CCc2ccccc2)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
Show InChI InChI=1S/C26H21ClF3N5O2/c27-21-8-6-16(10-20(21)26(28,29)30)13-32-25-19-12-17(11-18(24(31)37)23(19)33-14-34-25)35-22(36)9-7-15-4-2-1-3-5-15/h1-6,8,10-12,14H,7,9,13H2,(H2,31,37)(H,35,36)(H,32,33,34)
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n/an/a 3.40E+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))
BDBM116497
PNG
(US8637532, 178)
Show SMILES NC(=O)c1cc(NCc2ccccc2)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
Show InChI InChI=1S/C24H19ClF3N5O/c25-20-7-6-15(8-19(20)24(26,27)28)12-31-23-18-10-16(30-11-14-4-2-1-3-5-14)9-17(22(29)34)21(18)32-13-33-23/h1-10,13,30H,11-12H2,(H2,29,34)(H,31,32,33)
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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))
BDBM116559
PNG
(US8637532, 250)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)ncnc12
Show InChI InChI=1S/C23H17Cl2N5O2/c24-14-7-8-16(19(25)10-14)23(32)30-15-4-1-3-13(9-15)11-27-22-18-6-2-5-17(21(26)31)20(18)28-12-29-22/h1-10,12H,11H2,(H2,26,31)(H,30,32)(H,27,28,29)
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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))
BDBM116491
PNG
(US8637532, 172)
Show SMILES NC(=O)c1cc(N)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
Show InChI InChI=1S/C17H13ClF3N5O/c18-13-2-1-8(3-12(13)17(19,20)21)6-24-16-11-5-9(22)4-10(15(23)27)14(11)25-7-26-16/h1-5,7H,6,22H2,(H2,23,27)(H,24,25,26)
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n/an/a 4.90n/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))
BDBM116924
PNG
(US8637532, 651)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H21N5O2/c1-15-5-2-7-17(11-15)24(31)29-18-8-3-6-16(12-18)13-26-23-20-10-4-9-19(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 0.170n/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 A


(Homo sapiens (Human))
BDBM116934
PNG
(US8637532, 661)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(Cl)c4)c3)ncnc12
Show InChI InChI=1S/C23H18ClN5O2/c24-16-6-2-5-15(11-16)23(31)29-17-7-1-4-14(10-17)12-26-22-19-9-3-8-18(21(25)30)20(19)27-13-28-22/h1-11,13H,12H2,(H2,25,30)(H,29,31)(H,26,27,28)
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n/an/a 0.170n/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))
BDBM116944
PNG
(US8637532, 671)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)cc4)c3)ncnc12
Show InChI InChI=1S/C23H18ClN5O2/c24-16-9-7-15(8-10-16)23(31)29-17-4-1-3-14(11-17)12-26-22-19-6-2-5-18(21(25)30)20(19)27-13-28-22/h1-11,13H,12H2,(H2,25,30)(H,29,31)(H,26,27,28)
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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))
BDBM116991
PNG
(US8637532, 718)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4C(F)(F)F)c3)ncnc12
Show InChI InChI=1S/C24H18F3N5O2/c25-24(26,27)19-10-2-1-7-16(19)23(34)32-15-6-3-5-14(11-15)12-29-22-18-9-4-8-17(21(28)33)20(18)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 0.220n/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))
BDBM116475
PNG
(US8637532, 156)
Show SMILES NC(=O)c1cccc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
Show InChI InChI=1S/C17H12ClF3N4O/c18-13-5-4-9(6-12(13)17(19,20)21)7-23-16-11-3-1-2-10(15(22)26)14(11)24-8-25-16/h1-6,8H,7H2,(H2,22,26)(H,23,24,25)
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n/an/a 500n/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))
BDBM116491
PNG
(US8637532, 172)
Show SMILES NC(=O)c1cc(N)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
Show InChI InChI=1S/C17H13ClF3N5O/c18-13-2-1-8(3-12(13)17(19,20)21)6-24-16-11-5-9(22)4-10(15(23)27)14(11)25-7-26-16/h1-5,7H,6,22H2,(H2,23,27)(H,24,25,26)
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n/an/a 13n/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))
BDBM116495
PNG
(US8637532, 176)
Show SMILES NC(=O)c1cc(NC(=O)c2ccncc2)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
Show InChI InChI=1S/C23H16ClF3N6O2/c24-18-2-1-12(7-17(18)23(25,26)27)10-30-21-16-9-14(33-22(35)13-3-5-29-6-4-13)8-15(20(28)34)19(16)31-11-32-21/h1-9,11H,10H2,(H2,28,34)(H,33,35)(H,30,31,32)
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n/an/a 680n/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))
BDBM116559
PNG
(US8637532, 250)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)ncnc12
Show InChI InChI=1S/C23H17Cl2N5O2/c24-14-7-8-16(19(25)10-14)23(32)30-15-4-1-3-13(9-15)11-27-22-18-6-2-5-17(21(26)31)20(18)28-12-29-22/h1-10,12H,11H2,(H2,26,31)(H,30,32)(H,27,28,29)
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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))
BDBM116924
PNG
(US8637532, 651)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H21N5O2/c1-15-5-2-7-17(11-15)24(31)29-18-8-3-6-16(12-18)13-26-23-20-10-4-9-19(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 0.0610n/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))
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
Aurora kinase B


(Homo sapiens (Human))
BDBM116934
PNG
(US8637532, 661)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(Cl)c4)c3)ncnc12
Show InChI InChI=1S/C23H18ClN5O2/c24-16-6-2-5-15(11-16)23(31)29-17-7-1-4-14(10-17)12-26-22-19-9-3-8-18(21(25)30)20(19)27-13-28-22/h1-11,13H,12H2,(H2,25,30)(H,29,31)(H,26,27,28)
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n/an/a 0.380n/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))
BDBM116944
PNG
(US8637532, 671)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)cc4)c3)ncnc12
Show InChI InChI=1S/C23H18ClN5O2/c24-16-9-7-15(8-10-16)23(31)29-17-4-1-3-14(11-17)12-26-22-19-6-2-5-18(21(25)30)20(19)27-13-28-22/h1-11,13H,12H2,(H2,25,30)(H,29,31)(H,26,27,28)
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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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116491
PNG
(US8637532, 172)
Show SMILES NC(=O)c1cc(N)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
Show InChI InChI=1S/C17H13ClF3N5O/c18-13-2-1-8(3-12(13)17(19,20)21)6-24-16-11-5-9(22)4-10(15(23)27)14(11)25-7-26-16/h1-5,7H,6,22H2,(H2,23,27)(H,24,25,26)
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n/an/a 72.3n/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