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Compile Data Set for Download or QSAR

Found 3027 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
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116986
PNG
(US8637532, 713)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(F)c(O)c2)c1
Show InChI InChI=1S/C24H20FN5O3/c1-13(29-23-18-7-3-6-17(22(26)32)21(18)27-12-28-23)14-4-2-5-16(10-14)30-24(33)15-8-9-19(25)20(31)11-15/h2-13,31H,1H3,(H2,26,32)(H,30,33)(H,27,28,29)/t13-/m1/s1
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n/an/a 0.0100n/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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116550
PNG
(US8637532, 241)
Show SMILES CC(C)c1cc([nH]n1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C24H25N7O2/c1-13(2)19-11-20(31-30-19)24(33)29-16-7-4-6-15(10-16)14(3)28-23-18-9-5-8-17(22(25)32)21(18)26-12-27-23/h4-14H,1-3H3,(H2,25,32)(H,29,33)(H,30,31)(H,26,27,28)/t14-/m1/s1
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n/an/a 0.0300n/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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116576
PNG
(US8637532, 268)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(n[nH]2)C(C)(C)C)c1
Show InChI InChI=1S/C25H27N7O2/c1-14(29-23-18-10-6-9-17(22(26)33)21(18)27-13-28-23)15-7-5-8-16(11-15)30-24(34)19-12-20(32-31-19)25(2,3)4/h5-14H,1-4H3,(H2,26,33)(H,30,34)(H,31,32)(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...


Citation and Details
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (human))
BDBM50277545
PNG
(4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...)
Show SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O
Show InChI InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)
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n/an/a 0.0400n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116811
PNG
(US8637532, 537)
Show SMILES C[C@@H](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)/t11-,16?/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...


Citation and Details
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (human))
BDBM50175305
PNG
(CHEMBL3600873)
Show SMILES OC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F
Show InChI InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22-
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n/an/a 0.0460n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged Aurora A expressed in Escherichia coli using RRR(GLRRASLG)4R-NH2 as substrate after 40 mins in presence of...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116749
PNG
(US8637532, 462)
Show SMILES COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C27H24F3N5O4/c1-38-13-12-22(35-25-21-7-3-6-20(24(31)36)23(21)32-15-33-25)17-4-2-5-18(14-17)34-26(37)16-8-10-19(11-9-16)39-27(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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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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116622
PNG
(US8637532, 319)
Show SMILES COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C26H24BrN5O3/c1-35-13-12-22(32-25-21-7-3-6-20(24(28)33)23(21)29-15-30-25)17-4-2-5-19(14-17)31-26(34)16-8-10-18(27)11-9-16/h2-11,14-15,22H,12-13H2,1H3,(H2,28,33)(H,31,34)(H,29,30,32)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116931
PNG
(US8637532, 658)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5OC(F)(F)Oc5c4)c3)ncnc12
Show InChI InChI=1S/C24H17F2N5O4/c25-24(26)34-18-8-7-14(10-19(18)35-24)23(33)31-15-4-1-3-13(9-15)11-28-22-17-6-2-5-16(21(27)32)20(17)29-12-30-22/h1-10,12H,11H2,(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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116925
PNG
(US8637532, 652)
Show SMILES COCCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1
Show InChI InChI=1S/C27H27N5O5/c1-35-10-11-37-21-13-22(25(28)33)24-23(14-21)26(31-16-30-24)29-15-17-4-3-5-19(12-17)32-27(34)18-6-8-20(36-2)9-7-18/h3-9,12-14,16H,10-11,15H2,1-2H3,(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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116690
PNG
(US8637532, 394)
Show SMILES CC(C)c1cc([nH]n1)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C24H25N7O2/c1-13(2)19-11-20(31-30-19)24(33)29-16-7-4-6-15(10-16)14(3)28-23-18-9-5-8-17(22(25)32)21(18)26-12-27-23/h4-14H,1-3H3,(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...


Citation and Details
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (human))
BDBM50175305
PNG
(CHEMBL3600873)
Show SMILES OC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F
Show InChI InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22-
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n/an/a 0.0640n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50175305
PNG
(CHEMBL3600873)
Show SMILES OC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F
Show InChI InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22-
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n/an/a 0.0640n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116548
PNG
(US8637532, 239)
Show SMILES COc1ccc(cn1)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)16-9-10-20(33-2)26-12-16/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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116938
PNG
(US8637532, 665)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4=CCC(C=C4)N4CCOCC4)c3)ncnc12
Show InChI InChI=1S/C27H28N6O3/c28-25(34)22-5-2-6-23-24(22)30-17-31-26(23)29-16-18-3-1-4-20(15-18)32-27(35)19-7-9-21(10-8-19)33-11-13-36-14-12-33/h1-9,15,17,21H,10-14,16H2,(H2,28,34)(H,32,35)(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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116652
PNG
(US8637532, 352)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Nc2cc(ccn2)C#N)c1
Show InChI InChI=1S/C23H19N7O/c1-14(29-23-19-7-3-6-18(22(25)31)21(19)27-13-28-23)16-4-2-5-17(11-16)30-20-10-15(12-24)8-9-26-20/h2-11,13-14H,1H3,(H2,25,31)(H,26,30)(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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116954
PNG
(US8637532, 681)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)c(c4)C(F)(F)F)c3)ncnc12
Show InChI InChI=1S/C24H17ClF3N5O2/c25-19-8-7-14(10-18(19)24(26,27)28)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/h1-10,12H,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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(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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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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116987
PNG
(US8637532, 714)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4c(F)cc(Cl)cc4F)c3)ncnc12
Show InChI InChI=1S/C23H16ClF2N5O2/c24-13-8-17(25)19(18(26)9-13)23(33)31-14-4-1-3-12(7-14)10-28-22-16-6-2-5-15(21(27)32)20(16)29-11-30-22/h1-9,11H,10H2,(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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116579
PNG
(US8637532, 271)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(n[nH]2)C(C)(C)C)c1
Show InChI InChI=1S/C25H27N7O2/c1-14(29-23-18-10-6-9-17(22(26)33)21(18)27-13-28-23)15-7-5-8-16(11-15)30-24(34)19-12-20(32-31-19)25(2,3)4/h5-14H,1-4H3,(H2,26,33)(H,30,34)(H,31,32)(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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116639
PNG
(US8637532, 338)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCO)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C26H25N5O4/c1-35-19-10-8-16(9-11-19)26(34)30-18-5-2-4-17(14-18)22(12-13-32)31-25-21-7-3-6-20(24(27)33)23(21)28-15-29-25/h2-11,14-15,22,32H,12-13H2,1H3,(H2,27,33)(H,30,34)(H,28,29,31)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116555
PNG
(US8637532, 246)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2=CCC(C)C(F)=C2)c1
Show InChI InChI=1S/C25H24FN5O2/c1-14-9-10-17(12-21(14)26)25(33)31-18-6-3-5-16(11-18)15(2)30-24-20-8-4-7-19(23(27)32)22(20)28-13-29-24/h3-8,10-15H,9H2,1-2H3,(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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116747
PNG
(US8637532, 459)
Show SMILES COCCN(C)c1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C26H27N7O3/c1-33(11-12-36-2)22-10-9-18(15-28-22)26(35)32-19-6-3-5-17(13-19)14-29-25-21-8-4-7-20(24(27)34)23(21)30-16-31-25/h3-10,13,15-16H,11-12,14H2,1-2H3,(H2,27,34)(H,32,35)(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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116922
PNG
(US8637532, 649)
Show SMILES Cc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H21N5O2/c1-15-6-2-3-9-18(15)24(31)29-17-8-4-7-16(12-17)13-26-23-20-11-5-10-19(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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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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116812
PNG
(US8637532, 538)
Show SMILES NC(=O)c1cccc2c(NC(CCO)c3cccc(NC(O)c4cc(n[nH]4)C4CC4)c3)ncnc12
Show InChI InChI=1S/C25H27N7O3/c26-23(34)17-5-2-6-18-22(17)27-13-28-24(18)30-19(9-10-33)15-3-1-4-16(11-15)29-25(35)21-12-20(31-32-21)14-7-8-14/h1-6,11-14,19,25,29,33,35H,7-10H2,(H2,26,34)(H,31,32)(H,27,28,30)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM12407
PNG
(3-chloro-N-[5-({6-methoxy-7-[3-(morpholin-4-yl)pro...)
Show SMILES COc1cc2c(Nc3cnc(NC(=O)c4cccc(Cl)c4)nc3)ncnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C27H28ClN7O4/c1-37-23-13-21-22(14-24(23)39-9-3-6-35-7-10-38-11-8-35)31-17-32-25(21)33-20-15-29-27(30-16-20)34-26(36)18-4-2-5-19(28)12-18/h2,4-5,12-17H,3,6-11H2,1H3,(H,31,32,33)(H,29,30,34,36)
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n/an/a<0.100n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 49: 4805-8 (2006)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116598
PNG
(US8637532, 292)
Show SMILES COc1ccc(cn1)C(=O)Nc1cccc(c1)C(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)16-9-10-20(33-2)26-12-16/h3-14H,1-2H3,(H2,25,31)(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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM14210
PNG
(4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-mo...)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C29H31N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20H,5,12-17H2,1H3,(H,33,35)(H,30,31,32)
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n/an/a 0.100n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of in vitro Aurora-A kinase activity


J Med Chem 49: 955-70 (2006)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM12407
PNG
(3-chloro-N-[5-({6-methoxy-7-[3-(morpholin-4-yl)pro...)
Show SMILES COc1cc2c(Nc3cnc(NC(=O)c4cccc(Cl)c4)nc3)ncnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C27H28ClN7O4/c1-37-23-13-21-22(14-24(23)39-9-3-6-35-7-10-38-11-8-35)31-17-32-25(21)33-20-15-29-27(30-16-20)34-26(36)18-4-2-5-19(28)12-18/h2,4-5,12-17H,3,6-11H2,1H3,(H,31,32,33)(H,29,30,34,36)
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n/an/a<0.100n/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells, was incubated at room temperature with substrate, and test compounds in the...


Bioorg Med Chem Lett 16: 1320-23 (2006)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116390
PNG
(US8637532, 71)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H24N6O2/c1-31(2)19-11-9-17(10-12-19)25(33)30-18-6-3-5-16(13-18)14-27-24-21-8-4-7-20(23(26)32)22(21)28-15-29-24/h3-13,15H,14H2,1-2H3,(H2,26,32)(H,30,33)(H,27,28,29)
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n/an/a 0.110n/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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116571
PNG
(US8637532, 263)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(ccc2F)C(F)(F)F)c1
Show InChI InChI=1S/C25H19F4N5O2/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 0.110n/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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116988
PNG
(US8637532, 715)
Show SMILES COc1cc(F)c(C(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c(F)c1
Show InChI InChI=1S/C24H19F2N5O3/c1-34-15-9-18(25)20(19(26)10-15)24(33)31-14-5-2-4-13(8-14)11-28-23-17-7-3-6-16(22(27)32)21(17)29-12-30-23/h2-10,12H,11H2,1H3,(H2,27,32)(H,31,33)(H,28,29,30)
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n/an/a 0.110n/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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116932
PNG
(US8637532, 659)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(nc4)C(F)(F)F)c3)ncnc12
Show InChI InChI=1S/C23H17F3N6O2/c24-23(25,26)18-8-7-14(11-28-18)22(34)32-15-4-1-3-13(9-15)10-29-21-17-6-2-5-16(20(27)33)19(17)30-12-31-21/h1-9,11-12H,10H2,(H2,27,33)(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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116918
PNG
(US8637532, 645)
Show SMILES CC(C)c1cc([nH]n1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C23H23N7O2/c1-13(2)18-10-19(30-29-18)23(32)28-15-6-3-5-14(9-15)11-25-22-17-8-4-7-16(21(24)31)20(17)26-12-27-22/h3-10,12-13H,11H2,1-2H3,(H2,24,31)(H,28,32)(H,29,30)(H,25,26,27)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(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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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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116758
PNG
(US8637532, 472)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CCCC2)c1
Show InChI InChI=1S/C23H25N5O2/c1-14(16-8-4-9-17(12-16)28-23(30)15-6-2-3-7-15)27-22-19-11-5-10-18(21(24)29)20(19)25-13-26-22/h4-5,8-15H,2-3,6-7H2,1H3,(H2,24,29)(H,28,30)(H,25,26,27)/t14-/m1/s1
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116573
PNG
(US8637532, 265)
Show SMILES CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C27H27BrN6O2/c1-34(2)14-13-23(33-26-22-8-4-7-21(25(29)35)24(22)30-16-31-26)18-5-3-6-20(15-18)32-27(36)17-9-11-19(28)12-10-17/h3-12,15-16,23H,13-14H2,1-2H3,(H2,29,35)(H,32,36)(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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(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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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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116989
PNG
(US8637532, 716)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(O)cc23)C(N)=O)c1
Show InChI InChI=1S/C24H21N5O4/c1-33-18-7-5-15(6-8-18)24(32)29-16-4-2-3-14(9-16)12-26-23-20-11-17(30)10-19(22(25)31)21(20)27-13-28-23/h2-11,13,30H,12H2,1H3,(H2,25,31)(H,29,32)(H,26,27,28)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116803
PNG
(US8637532, 525)
Show SMILES COc1ccc(cc1C(F)(F)F)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H20F3N5O3/c1-36-20-9-8-15(11-19(20)25(26,27)28)24(35)33-16-5-2-4-14(10-16)12-30-23-18-7-3-6-17(22(29)34)21(18)31-13-32-23/h2-11,13H,12H2,1H3,(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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116672
PNG
(US8637532, 374)
Show SMILES COc1ccc(cc1F)C(=O)Nc1cc(ccc1F)[C@@H](C)Nc1nccc2c(cccc12)C(N)=O
Show InChI InChI=1S/C26H22F2N4O3/c1-14(31-25-19-5-3-4-18(24(29)33)17(19)10-11-30-25)15-6-8-20(27)22(13-15)32-26(34)16-7-9-23(35-2)21(28)12-16/h3-14H,1-2H3,(H2,29,33)(H,30,31)(H,32,34)/t14-/m1/s1
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US Patent
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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116928
PNG
(US8637532, 655)
Show SMILES CCOc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O3/c1-2-33-19-11-9-17(10-12-19)25(32)30-18-6-3-5-16(13-18)14-27-24-21-8-4-7-20(23(26)31)22(21)28-15-29-24/h3-13,15H,2,14H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
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n/an/a 0.130n/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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116730
PNG
(US8637532, 440)
Show SMILES COc1ccc(cc1F)C(=O)Nc1cccc(c1)[C@@H](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)/t14-/m1/s1
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n/an/a 0.130n/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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116814
PNG
(US8637532, 540)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(Nc4cc(ccn4)C(F)(F)F)c3)ncnc12
Show InChI InChI=1S/C22H17F3N6O/c23-22(24,25)14-7-8-27-18(10-14)31-15-4-1-3-13(9-15)11-28-21-17-6-2-5-16(20(26)32)19(17)29-12-30-21/h1-10,12H,11H2,(H2,26,32)(H,27,31)(H,28,29,30)
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n/an/a 0.150n/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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116813
PNG
(US8637532, 539)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(Nc4ccccn4)c3)ncnc12
Show InChI InChI=1S/C21H18N6O/c22-20(28)16-7-4-8-17-19(16)25-13-26-21(17)24-12-14-5-3-6-15(11-14)27-18-9-1-2-10-23-18/h1-11,13H,12H2,(H2,22,28)(H,23,27)(H,24,25,26)
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n/an/a 0.150n/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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM116647
PNG
(US8637532, 347)
Show SMILES CNc1cc(ccn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C23H21N7O2/c1-25-19-11-15(8-9-26-19)23(32)30-16-5-2-4-14(10-16)12-27-22-18-7-3-6-17(21(24)31)20(18)28-13-29-22/h2-11,13H,12H2,1H3,(H2,24,31)(H,25,26)(H,30,32)(H,27,28,29)
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n/an/a 0.150n/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...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM12408
PNG
(3-chloro-4-fluoro-N-[5-({6-methoxy-7-[3-(morpholin...)
Show SMILES COc1cc2c(Nc3cnc(NC(=O)c4ccc(F)c(Cl)c4)nc3)ncnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C27H27ClFN7O4/c1-38-23-12-19-22(13-24(23)40-8-2-5-36-6-9-39-10-7-36)32-16-33-25(19)34-18-14-30-27(31-15-18)35-26(37)17-3-4-21(29)20(28)11-17/h3-4,11-16H,2,5-10H2,1H3,(H,32,33,34)(H,30,31,35,37)
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Article
PubMed
n/an/a 0.150n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 49: 4805-8 (2006)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM12408
PNG
(3-chloro-4-fluoro-N-[5-({6-methoxy-7-[3-(morpholin...)
Show SMILES COc1cc2c(Nc3cnc(NC(=O)c4ccc(F)c(Cl)c4)nc3)ncnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C27H27ClFN7O4/c1-38-23-12-19-22(13-24(23)40-8-2-5-36-6-9-39-10-7-36)32-16-33-25(19)34-18-14-30-27(31-15-18)35-26(37)17-3-4-21(29)20(28)11-17/h3-4,11-16H,2,5-10H2,1H3,(H,32,33,34)(H,30,31,35,37)
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n/an/a 0.150n/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells, was incubated at room temperature with substrate, and test compounds in the...


Bioorg Med Chem Lett 16: 1320-23 (2006)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(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...


Citation and Details
More data for this
Ligand-Target Pair
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