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PubMed code 22572580

Compile data set for download or QSAR
Found 26 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aurora kinase A


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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n/an/a 130n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...


Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (Human))
BDBM50383835
PNG
(CHEMBL2030993)
Show SMILES CCOc1ccc(NC(=O)c2cn(nc2-c2ccc(cc2)[N+]([O-])=O)-c2ccccc2)cc1
Show InChI InChI=1S/C24H20N4O4/c1-2-32-21-14-10-18(11-15-21)25-24(29)22-16-27(19-6-4-3-5-7-19)26-23(22)17-8-12-20(13-9-17)28(30)31/h3-16H,2H2,1H3,(H,25,29)
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n/an/a 160n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...


Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50383830
PNG
(CHEMBL2030988)
Show SMILES CCOc1ccc(NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H20ClN3O2/c1-2-30-21-14-12-19(13-15-21)26-24(29)22-16-28(20-6-4-3-5-7-20)27-23(22)17-8-10-18(25)11-9-17/h3-16H,2H2,1H3,(H,26,29)
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n/an/a 220n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...


Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50383816
PNG
(CHEMBL2030974)
Show SMILES CCOc1ccc(NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H21N3O2/c1-2-29-21-15-13-19(14-16-21)25-24(28)22-17-27(20-11-7-4-8-12-20)26-23(22)18-9-5-3-6-10-18/h3-17H,2H2,1H3,(H,25,28)
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n/an/a 420n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...


Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50383836
PNG
(CHEMBL2030978)
Show SMILES CCOc1ccc(NC(=O)c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H23N3O2/c1-3-30-22-15-13-20(14-16-22)26-25(29)23-17-28(21-7-5-4-6-8-21)27-24(23)19-11-9-18(2)10-12-19/h4-17H,3H2,1-2H3,(H,26,29)
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n/an/a 650n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...


Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50383825
PNG
(CHEMBL2030983)
Show SMILES CCOc1ccc(NC(=O)c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H23N3O3/c1-3-31-22-15-11-19(12-16-22)26-25(29)23-17-28(20-7-5-4-6-8-20)27-24(23)18-9-13-21(30-2)14-10-18/h4-17H,3H2,1-2H3,(H,26,29)
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n/an/a 780n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...


Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50383834
PNG
(CHEMBL2030992)
Show SMILES COc1ccc(NC(=O)c2cn(nc2-c2ccc(cc2)[N+]([O-])=O)-c2ccccc2)cc1
Show InChI InChI=1S/C23H18N4O4/c1-31-20-13-9-17(10-14-20)24-23(28)21-15-26(18-5-3-2-4-6-18)25-22(21)16-7-11-19(12-8-16)27(29)30/h2-15H,1H3,(H,24,28)
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n/an/a 790n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...


Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50383829
PNG
(CHEMBL2030987)
Show SMILES COc1ccc(NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H18ClN3O2/c1-29-20-13-11-18(12-14-20)25-23(28)21-15-27(19-5-3-2-4-6-19)26-22(21)16-7-9-17(24)10-8-16/h2-15H,1H3,(H,25,28)
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n/an/a 840n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...


Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50383815
PNG
(CHEMBL2030973)
Show SMILES COc1ccc(NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H19N3O2/c1-28-20-14-12-18(13-15-20)24-23(27)21-16-26(19-10-6-3-7-11-19)25-22(21)17-8-4-2-5-9-17/h2-16H,1H3,(H,24,27)
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n/an/a 1.33E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...


Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50383820
PNG
(CHEMBL1512579)
Show SMILES COc1ccc(NC(=O)c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H21N3O2/c1-17-8-10-18(11-9-17)23-22(16-27(26-23)20-6-4-3-5-7-20)24(28)25-19-12-14-21(29-2)15-13-19/h3-16H,1-2H3,(H,25,28)
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n/an/a 1.45E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...


Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50383824
PNG
(CHEMBL2030982)
Show SMILES COc1ccc(NC(=O)c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H21N3O3/c1-29-20-12-8-17(9-13-20)23-22(16-27(26-23)19-6-4-3-5-7-19)24(28)25-18-10-14-21(30-2)15-11-18/h3-16H,1-2H3,(H,25,28)
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n/an/a 1.62E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...


Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50383826
PNG
(CHEMBL2030984)
Show SMILES Clc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16ClN3O/c23-17-13-11-16(12-14-17)21-20(22(27)24-18-7-3-1-4-8-18)15-26(25-21)19-9-5-2-6-10-19/h1-15H,(H,24,27)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...


Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50383831
PNG
(CHEMBL2030989)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1C(=O)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16N4O3/c27-22(23-17-7-3-1-4-8-17)20-15-25(18-9-5-2-6-10-18)24-21(20)16-11-13-19(14-12-16)26(28)29/h1-15H,(H,23,27)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...


Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50383812
PNG
(CHEMBL1533728)
Show SMILES O=C(Nc1ccccc1)c1cn(nc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H17N3O/c26-22(23-18-12-6-2-7-13-18)20-16-25(19-14-8-3-9-15-19)24-21(20)17-10-4-1-5-11-17/h1-16H,(H,23,26)
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n/an/a 2.34E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...


Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50383817
PNG
(CHEMBL2030975)
Show SMILES Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H19N3O/c1-17-12-14-18(15-13-17)22-21(23(27)24-19-8-4-2-5-9-19)16-26(25-22)20-10-6-3-7-11-20/h2-16H,1H3,(H,24,27)
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n/an/a 2.65E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...


Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50383821
PNG
(CHEMBL2030979)
Show SMILES COc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H19N3O2/c1-28-20-14-12-17(13-15-20)22-21(23(27)24-18-8-4-2-5-9-18)16-26(25-22)19-10-6-3-7-11-19/h2-16H,1H3,(H,24,27)
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n/an/a 2.78E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...


Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50383832
PNG
(CHEMBL2030990)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C22H15ClN4O3/c23-16-8-10-17(11-9-16)24-22(28)20-14-26(18-4-2-1-3-5-18)25-21(20)15-6-12-19(13-7-15)27(29)30/h1-14H,(H,24,28)
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n/an/a 3.04E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...


Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50383827
PNG
(CHEMBL2030985)
Show SMILES Clc1ccc(NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H15Cl2N3O/c23-16-8-6-15(7-9-16)21-20(14-27(26-21)19-4-2-1-3-5-19)22(28)25-18-12-10-17(24)11-13-18/h1-14H,(H,25,28)
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n/an/a 3.18E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...


Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50383813
PNG
(CHEMBL2030971)
Show SMILES Clc1ccc(NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H16ClN3O/c23-17-11-13-18(14-12-17)24-22(27)20-15-26(19-9-5-2-6-10-19)25-21(20)16-7-3-1-4-8-16/h1-15H,(H,24,27)
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n/an/a 3.57E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...


Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50383818
PNG
(CHEMBL2030976)
Show SMILES Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H18ClN3O/c1-16-7-9-17(10-8-16)22-21(15-27(26-22)20-5-3-2-4-6-20)23(28)25-19-13-11-18(24)12-14-19/h2-15H,1H3,(H,25,28)
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Article
PubMed
n/an/a 4.79E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...


Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50383833
PNG
(CHEMBL2030991)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Br)cc1)-c1ccccc1
Show InChI InChI=1S/C22H15BrN4O3/c23-16-8-10-17(11-9-16)24-22(28)20-14-26(18-4-2-1-3-5-18)25-21(20)15-6-12-19(13-7-15)27(29)30/h1-14H,(H,24,28)
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UniChem
Article
PubMed
n/an/a 5.52E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...


Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50383822
PNG
(CHEMBL2030980)
Show SMILES COc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H18ClN3O2/c1-29-20-13-7-16(8-14-20)22-21(15-27(26-22)19-5-3-2-4-6-19)23(28)25-18-11-9-17(24)10-12-18/h2-15H,1H3,(H,25,28)
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UniChem
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n/an/a 5.59E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...


Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50383828
PNG
(CHEMBL2030986)
Show SMILES Clc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Br)cc1)-c1ccccc1
Show InChI InChI=1S/C22H15BrClN3O/c23-16-8-12-18(13-9-16)25-22(28)20-14-27(19-4-2-1-3-5-19)26-21(20)15-6-10-17(24)11-7-15/h1-14H,(H,25,28)
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UniChem
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n/an/a 5.71E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...


Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50383814
PNG
(CHEMBL2030972)
Show SMILES Brc1ccc(NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H16BrN3O/c23-17-11-13-18(14-12-17)24-22(27)20-15-26(19-9-5-2-6-10-19)25-21(20)16-7-3-1-4-8-16/h1-15H,(H,24,27)
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n/an/a 7.25E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...


Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50383819
PNG
(CHEMBL2030977)
Show SMILES Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Br)cc1)-c1ccccc1
Show InChI InChI=1S/C23H18BrN3O/c1-16-7-9-17(10-8-16)22-21(15-27(26-22)20-5-3-2-4-6-20)23(28)25-19-13-11-18(24)12-14-19/h2-15H,1H3,(H,25,28)
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n/an/a 7.32E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...


Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50383823
PNG
(CHEMBL2030981)
Show SMILES COc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Br)cc1)-c1ccccc1
Show InChI InChI=1S/C23H18BrN3O2/c1-29-20-13-7-16(8-14-20)22-21(15-27(26-22)19-5-3-2-4-6-19)23(28)25-18-11-9-17(24)10-12-18/h2-15H,1H3,(H,25,28)
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n/an/a 1.24E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...


Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%