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Compile Data Set for Download or QSAR

Found 3062 hits of ic50 data for polymerid = 1325   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM?mit=repeat
Kd
nM
EC50/IC50
nM?mit=repeat
koff
s-1
kon
M-1s-1
pHTemp
°C
Aurora kinase A


(Homo sapiens (Human))
BDBM116816
PNG
(US8637532, 542)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCCO)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C27H27N5O4/c1-36-20-12-10-17(11-13-20)27(35)31-19-6-2-5-18(15-19)23(9-4-14-33)32-26-22-8-3-7-21(25(28)34)24(22)29-16-30-26/h2-3,5-8,10-13,15-16,23,33H,4,9,14H2,1H3,(H2,28,34)(H,31,35)(H,29,30,32)
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n/an/a 0.160n/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))
BDBM116553
PNG
(US8637532, 244)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(F)cc4F)c3)ncnc12
Show InChI InChI=1S/C23H17F2N5O2/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 0.160n/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))
BDBM116631
PNG
(US8637532, 330)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCN(C)CC=C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C30H32N6O3/c1-4-16-36(2)17-15-26(35-29-25-10-6-9-24(28(31)37)27(25)32-19-33-29)21-7-5-8-22(18-21)34-30(38)20-11-13-23(39-3)14-12-20/h4-14,18-19,26H,1,15-17H2,2-3H3,(H2,31,37)(H,34,38)(H,32,33,35)
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n/an/a 0.160n/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))
BDBM116929
PNG
(US8637532, 656)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4CCCCC4)c3)ncnc12
Show InChI InChI=1S/C23H25N5O2/c24-21(29)18-10-5-11-19-20(18)26-14-27-22(19)25-13-15-6-4-9-17(12-15)28-23(30)16-7-2-1-3-8-16/h4-6,9-12,14,16H,1-3,7-8,13H2,(H2,24,29)(H,28,30)(H,25,26,27)
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n/an/a 0.160n/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))
BDBM116817
PNG
(US8637532, 543)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5cc[nH]c5c4)c3)ncnc12
Show InChI InChI=1S/C25H20N6O2/c26-23(32)19-5-2-6-20-22(19)29-14-30-24(20)28-13-15-3-1-4-18(11-15)31-25(33)17-8-7-16-9-10-27-21(16)12-17/h1-12,14,27H,13H2,(H2,26,32)(H,31,33)(H,28,29,30)
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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))
BDBM116535
PNG
(US8637532, 223)
Show SMILES CNCC(Nc1ccccc(cncn1)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C26H25F3N6O3/c1-31-15-22(35-23-8-3-2-5-19(24(30)36)14-32-16-33-23)18-6-4-7-20(13-18)34-25(37)17-9-11-21(12-10-17)38-26(27,28)29/h2-14,16,22,31H,15H2,1H3,(H2,30,36)(H,34,37)(H,32,33,35)
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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))
BDBM116640
PNG
(US8637532, 339)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(O)c4cc(ccc4F)C(F)(F)F)c3)ncnc12
Show InChI InChI=1S/C24H19F4N5O2/c25-19-8-7-14(24(26,27)28)10-18(19)23(35)33-15-4-1-3-13(9-15)11-30-22-17-6-2-5-16(21(29)34)20(17)31-12-32-22/h1-10,12,23,33,35H,11H2,(H2,29,34)(H,30,31,32)
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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))
BDBM116513
PNG
(US8637532, 196)
Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C25H23BrN6O2/c1-28-13-21(32-24-20-7-3-6-19(23(27)33)22(20)29-14-30-24)16-4-2-5-18(12-16)31-25(34)15-8-10-17(26)11-9-15/h2-12,14,21,28H,13H2,1H3,(H2,27,33)(H,31,34)(H,29,30,32)
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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))
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))
BDBM116937
PNG
(US8637532, 664)
Show SMILES CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C27H28N6O2/c1-33(2)15-14-23(32-26-22-13-7-12-21(25(28)34)24(22)29-17-30-26)19-10-6-11-20(16-19)31-27(35)18-8-4-3-5-9-18/h3-13,16-17,23H,14-15H2,1-2H3,(H2,28,34)(H,31,35)(H,29,30,32)
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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))
BDBM116966
PNG
(US8637532, 693)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)c(F)c2)c1
Show InChI InChI=1S/C25H19F4N5O3/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)15-8-9-20(19(26)11-15)37-25(27,28)29/h2-13H,1H3,(H2,30,35)(H,34,36)(H,31,32,33)/t13-/m1/s1
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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))
BDBM116990
PNG
(US8637532, 717)
Show SMILES NC(=O)C1=c2ncnc(NCc3cccc(NC(=O)c4ccc(cc4)C(F)(F)F)c3)c2=CCC1
Show InChI InChI=1S/C24H20F3N5O2/c25-24(26,27)16-9-7-15(8-10-16)23(34)32-17-4-1-3-14(11-17)12-29-22-19-6-2-5-18(21(28)33)20(19)30-13-31-22/h1,3-4,6-11,13H,2,5,12H2,(H2,28,33)(H,32,34)(H,29,30,31)
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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))
BDBM116594
PNG
(US8637532, 286)
Show SMILES COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C27H24F3N5O3/c1-38-13-12-22(35-25-21-7-3-6-20(24(31)36)23(21)32-15-33-25)17-4-2-5-19(14-17)34-26(37)16-8-10-18(11-9-16)27(28,29)30/h2-11,14-15,22H,12-13H2,1H3,(H2,31,36)(H,34,37)(H,32,33,35)
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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))
BDBM116698
PNG
(US8637532, 403)
Show SMILES COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2F)c1
Show InChI InChI=1S/C27H26FN5O4/c1-36-12-11-23(33-26-21-8-4-7-20(25(29)34)24(21)30-15-31-26)16-5-3-6-17(13-16)32-27(35)19-10-9-18(37-2)14-22(19)28/h3-10,13-15,23H,11-12H2,1-2H3,(H2,29,34)(H,32,35)(H,30,31,33)
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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))
BDBM116433
PNG
(US8637532, 114)
Show SMILES NC(=O)c1cc(OCCCN2CCCCC2)cc2c(NCc3ccc(cc3)C(F)(F)F)ncnc12
Show InChI InChI=1S/C25H28F3N5O2/c26-25(27,28)18-7-5-17(6-8-18)15-30-24-21-14-19(13-20(23(29)34)22(21)31-16-32-24)35-12-4-11-33-9-2-1-3-10-33/h5-8,13-14,16H,1-4,9-12,15H2,(H2,29,34)(H,30,31,32)
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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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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))
BDBM116820
PNG
(US8637532, 546)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cn[nH]c4N)c3)ncnc12
Show InChI InChI=1S/C20H18N8O2/c21-17-15(9-26-28-17)20(30)27-12-4-1-3-11(7-12)8-23-19-14-6-2-5-13(18(22)29)16(14)24-10-25-19/h1-7,9-10H,8H2,(H2,22,29)(H,27,30)(H3,21,26,28)(H,23,24,25)
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n/an/a 0.190n/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))
BDBM116819
PNG
(US8637532, 545)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(Nc4nccs4)c3)ncnc12
Show InChI InChI=1S/C19H16N6OS/c20-17(26)14-5-2-6-15-16(14)23-11-24-18(15)22-10-12-3-1-4-13(9-12)25-19-21-7-8-27-19/h1-9,11H,10H2,(H2,20,26)(H,21,25)(H,22,23,24)
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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))
BDBM116927
PNG
(US8637532, 654)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(CCCCO)cc23)C(N)=O)c1
Show InChI InChI=1S/C28H29N5O4/c1-37-22-10-8-20(9-11-22)28(36)33-21-7-4-6-19(13-21)16-30-27-24-15-18(5-2-3-12-34)14-23(26(29)35)25(24)31-17-32-27/h4,6-11,13-15,17,34H,2-3,5,12,16H2,1H3,(H2,29,35)(H,33,36)(H,30,31,32)
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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))
BDBM116605
PNG
(US8637532, 299)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Cl)c(F)c2)c1
Show InChI InChI=1S/C24H19ClFN5O2/c1-13(30-23-18-7-3-6-17(22(27)32)21(18)28-12-29-23)14-4-2-5-16(10-14)31-24(33)15-8-9-19(25)20(26)11-15/h2-13H,1H3,(H2,27,32)(H,31,33)(H,28,29,30)
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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))
BDBM116699
PNG
(US8637532, 404)
Show SMILES COc1ccc(cc1C)C(O)N=C1CC(CNc2ncnc3c(cccc23)C(N)=O)CC=C1
Show InChI InChI=1S/C25H27N5O3/c1-15-11-17(9-10-21(15)33-2)25(32)30-18-6-3-5-16(12-18)13-27-24-20-8-4-7-19(23(26)31)22(20)28-14-29-24/h3-4,6-11,14,16,25,32H,5,12-13H2,1-2H3,(H2,26,31)(H,27,28,29)
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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))
BDBM116653
PNG
(US8637532, 353)
Show SMILES COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(F)c(F)c2)c1
Show InChI InChI=1S/C26H23F2N5O3/c1-36-11-10-22(33-25-19-7-3-6-18(24(29)34)23(19)30-14-31-25)15-4-2-5-17(12-15)32-26(35)16-8-9-20(27)21(28)13-16/h2-9,12-14,22H,10-11H2,1H3,(H2,29,34)(H,32,35)(H,30,31,33)
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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))
BDBM116614
PNG
(US8637532, 308)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(n[nH]2)C(F)F)c1
Show InChI InChI=1S/C22H19F2N7O2/c1-11(28-21-15-7-3-6-14(20(25)32)18(15)26-10-27-21)12-4-2-5-13(8-12)29-22(33)17-9-16(19(23)24)30-31-17/h2-11,19H,1H3,(H2,25,32)(H,29,33)(H,30,31)(H,26,27,28)
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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))
BDBM116821
PNG
(US8637532, 547)
Show SMILES COCC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1
Show InChI InChI=1S/C27H27N5O4/c1-35-14-13-23(32-26-22-8-4-7-21(25(28)33)24(22)29-16-30-26)18-5-3-6-19(15-18)31-27(34)17-9-11-20(36-2)12-10-17/h3-12,15-16,23H,13-14H2,1-2H3,(H2,28,33)(H,31,34)(H,29,30,32)/t23-/m1/s1
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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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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))
BDBM116588
PNG
(US8637532, 280)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)c(F)c2)c1
Show InChI InChI=1S/C24H19BrFN5O2/c1-13(30-23-18-7-3-6-17(22(27)32)21(18)28-12-29-23)14-4-2-5-16(10-14)31-24(33)15-8-9-19(25)20(26)11-15/h2-13H,1H3,(H2,27,32)(H,31,33)(H,28,29,30)
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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))
BDBM116969
PNG
(US8637532, 696)
Show SMILES NC(=O)c1cccc2c(NCc3ccc(F)c(NC(=O)c4ccc(OC(F)(F)F)cc4)c3)ncnc12
Show InChI InChI=1S/C24H17F4N5O3/c25-18-9-4-13(11-30-22-17-3-1-2-16(21(29)34)20(17)31-12-32-22)10-19(18)33-23(35)14-5-7-15(8-6-14)36-24(26,27)28/h1-10,12H,11H2,(H2,29,34)(H,33,35)(H,30,31,32)
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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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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))
BDBM116822
PNG
(US8637532, 548)
Show SMILES NCc1cnc(Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)s1
Show InChI InChI=1S/C20H19N7OS/c21-8-14-10-24-20(29-14)27-13-4-1-3-12(7-13)9-23-19-16-6-2-5-15(18(22)28)17(16)25-11-26-19/h1-7,10-11H,8-9,21H2,(H2,22,28)(H,24,27)(H,23,25,26)
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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))
BDBM116823
PNG
(US8637532, 549)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(Nc4cc(ccn4)C#N)c3)ncnc12
Show InChI InChI=1S/C22H17N7O/c23-11-14-7-8-25-19(10-14)29-16-4-1-3-15(9-16)12-26-22-18-6-2-5-17(21(24)30)20(18)27-13-28-22/h1-10,13H,12H2,(H2,24,30)(H,25,29)(H,26,27,28)
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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))
BDBM116577
PNG
(US8637532, 269)
Show SMILES COc1cc(ccn1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C24H22N6O3/c1-14(29-23-19-8-4-7-18(22(25)31)21(19)27-13-28-23)15-5-3-6-17(11-15)30-24(32)16-9-10-26-20(12-16)33-2/h3-14H,1-2H3,(H2,25,31)(H,30,32)(H,27,28,29)/t14-/m1/s1
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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))
BDBM116923
PNG
(US8637532, 650)
Show SMILES CN(C)c1cccc(c1)C(=O)Nc1cccc(CNc2ncnc3=C(CCC=c23)C(N)=O)c1
Show InChI InChI=1S/C25H26N6O2/c1-31(2)19-9-4-7-17(13-19)25(33)30-18-8-3-6-16(12-18)14-27-24-21-11-5-10-20(23(26)32)22(21)28-15-29-24/h3-4,6-9,11-13,15H,5,10,14H2,1-2H3,(H2,26,32)(H,30,33)(H,27,28,29)
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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))
BDBM116725
PNG
(US8637532, 434)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cc(n[nH]4)C(F)(F)F)c3)ncnc12
Show InChI InChI=1S/C21H16F3N7O2/c22-21(23,24)16-8-15(30-31-16)20(33)29-12-4-1-3-11(7-12)9-26-19-14-6-2-5-13(18(25)32)17(14)27-10-28-19/h1-8,10H,9H2,(H2,25,32)(H,29,33)(H,30,31)(H,26,27,28)
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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))
BDBM116765
PNG
(US8637532, 482)
Show SMILES CC(C)CNc1cc(ccn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C26H27N7O2/c1-16(2)13-29-22-12-18(9-10-28-22)26(35)33-19-6-3-5-17(11-19)14-30-25-21-8-4-7-20(24(27)34)23(21)31-15-32-25/h3-12,15-16H,13-14H2,1-2H3,(H2,27,34)(H,28,29)(H,33,35)(H,30,31,32)
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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))
BDBM116824
PNG
(US8637532, 550)
Show SMILES COc1ccc(cc1)C(O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1F
Show InChI InChI=1S/C24H22FN5O3/c1-33-16-10-8-14(9-11-16)24(32)30-19-7-2-4-15(20(19)25)12-27-23-18-6-3-5-17(22(26)31)21(18)28-13-29-23/h2-11,13,24,30,32H,12H2,1H3,(H2,26,31)(H,27,28,29)
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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))
BDBM116959
PNG
(US8637532, 686)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cc(n[nH]4)C4CC4)c3)ncnc12
Show InChI InChI=1S/C23H21N7O2/c24-21(31)16-5-2-6-17-20(16)26-12-27-22(17)25-11-13-3-1-4-15(9-13)28-23(32)19-10-18(29-30-19)14-7-8-14/h1-6,9-10,12,14H,7-8,11H2,(H2,24,31)(H,28,32)(H,29,30)(H,25,26,27)
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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))
BDBM116759
PNG
(US8637532, 473)
Show SMILES CCOC(=O)c1ccc(cn1)C(=O)NC1=CCCC(=C1)[C@H](C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C26H26N6O4/c1-3-36-26(35)21-11-10-17(13-28-21)25(34)32-18-7-4-6-16(12-18)15(2)31-24-20-9-5-8-19(23(27)33)22(20)29-14-30-24/h5,7-15H,3-4,6H2,1-2H3,(H2,27,33)(H,32,34)(H,29,30,31)/t15-/m0/s1
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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))
BDBM116687
PNG
(US8637532, 390)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5OCCc5c4)c3)ncnc12
Show InChI InChI=1S/C25H21N5O3/c26-23(31)19-5-2-6-20-22(19)28-14-29-24(20)27-13-15-3-1-4-18(11-15)30-25(32)17-7-8-21-16(12-17)9-10-33-21/h1-8,11-12,14H,9-10,13H2,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 0.230n/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))
BDBM116529
PNG
(US8637532, 215)
Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1
Show InChI InChI=1S/C26H26N6O3/c1-28-14-22(32-25-21-8-4-7-20(24(27)33)23(21)29-15-30-25)17-5-3-6-18(13-17)31-26(34)16-9-11-19(35-2)12-10-16/h3-13,15,22,28H,14H2,1-2H3,(H2,27,33)(H,31,34)(H,29,30,32)
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n/an/a 0.240n/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))
BDBM116825
PNG
(US8637532, 551)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4[nH]nc5CCCCc45)c3)ncnc12
Show InChI InChI=1S/C24H23N7O2/c25-22(32)17-8-4-9-18-20(17)27-13-28-23(18)26-12-14-5-3-6-15(11-14)29-24(33)21-16-7-1-2-10-19(16)30-31-21/h3-6,8-9,11,13H,1-2,7,10,12H2,(H2,25,32)(H,29,33)(H,30,31)(H,26,27,28)
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n/an/a 0.240n/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))
BDBM116953
PNG
(US8637532, 680)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(F)cc23)C(N)=O)c1
Show InChI InChI=1S/C24H20FN5O3/c1-33-18-7-5-15(6-8-18)24(32)30-17-4-2-3-14(9-17)12-27-23-20-11-16(25)10-19(22(26)31)21(20)28-13-29-23/h2-11,13H,12H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
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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))
BDBM116716
PNG
(US8637532, 425)
Show SMILES COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C25H22FN5O3/c1-14(30-24-19-8-4-7-18(23(27)32)22(19)28-13-29-24)15-5-3-6-17(11-15)31-25(33)16-9-10-21(34-2)20(26)12-16/h3-14H,1-2H3,(H2,27,32)(H,31,33)(H,28,29,30)
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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))
BDBM116543
PNG
(US8637532, 234)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2F)C(F)(F)F)c1
Show InChI InChI=1S/C25H19F4N5O2/c1-13(33-23-19-7-3-6-18(22(30)35)21(19)31-12-32-23)14-4-2-5-16(10-14)34-24(36)17-9-8-15(11-20(17)26)25(27,28)29/h2-13H,1H3,(H2,30,35)(H,34,36)(H,31,32,33)/t13-/m1/s1
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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))
BDBM116686
PNG
(US8637532, 389)
Show SMILES COc1ncc(cn1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C23H21N7O3/c1-13(29-21-18-8-4-7-17(20(24)31)19(18)27-12-28-21)14-5-3-6-16(9-14)30-22(32)15-10-25-23(33-2)26-11-15/h3-13H,1-2H3,(H2,24,31)(H,30,32)(H,27,28,29)/t13-/m1/s1
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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))
BDBM116527
PNG
(US8637532, 213)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2F)C(F)(F)F)c1
Show InChI InChI=1S/C27H24F4N6O2/c1-37(2)13-22(36-25-20-8-4-7-19(24(32)38)23(20)33-14-34-25)15-5-3-6-17(11-15)35-26(39)18-10-9-16(12-21(18)28)27(29,30)31/h3-12,14,22H,13H2,1-2H3,(H2,32,38)(H,35,39)(H,33,34,36)
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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))
BDBM116914
PNG
(US8637532, 640)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)-n2cccc2)c1
Show InChI InChI=1S/C28H24N6O2/c1-18(32-27-24-9-5-8-23(26(29)35)25(24)30-17-31-27)20-6-4-7-21(16-20)33-28(36)19-10-12-22(13-11-19)34-14-2-3-15-34/h2-18H,1H3,(H2,29,35)(H,33,36)(H,30,31,32)/t18-/m1/s1
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n/an/a 0.25n/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))
BDBM116992
PNG
(US8637532, 719)
Show SMILES COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cc(cc12)C#N)C(N)=O
Show InChI InChI=1S/C26H21FN6O3/c1-14(32-25-20-9-15(12-28)8-19(24(29)34)23(20)30-13-31-25)16-4-3-5-18(10-16)33-26(35)17-6-7-22(36-2)21(27)11-17/h3-11,13-14H,1-2H3,(H2,29,34)(H,33,35)(H,30,31,32)
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n/an/a 0.260n/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))
BDBM116580
PNG
(US8637532, 272)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2=CCC(Br)C=C2)c1
Show InChI InChI=1S/C24H22BrN5O2/c1-14(29-23-20-7-3-6-19(22(26)31)21(20)27-13-28-23)16-4-2-5-18(12-16)30-24(32)15-8-10-17(25)11-9-15/h2-10,12-14,17H,11H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 0.260n/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))
BDBM116511
PNG
(US8637532, 194)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C27H25F3N6O2/c1-36(2)14-22(35-25-21-8-4-7-20(24(31)37)23(21)32-15-33-25)17-5-3-6-19(13-17)34-26(38)16-9-11-18(12-10-16)27(28,29)30/h3-13,15,22H,14H2,1-2H3,(H2,31,37)(H,34,38)(H,32,33,35)
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n/an/a 0.260n/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
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