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Compile Data Set for Download or QSAR

Found 61 hits from EMD Serono Research Institute, Inc.   
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
Aurora kinase A


(Homo sapiens (human))
BDBM50433630
PNG
(CHEMBL2380834)
Show SMILES Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H16F4N4O2/c27-14-5-10-19(20(13-14)26(28,29)30)25(36)33-16-8-6-15(7-9-16)32-21-11-12-31-23-22(21)17-3-1-2-4-18(17)24(35)34-23/h1-13H,(H,33,36)(H2,31,32,34,35)
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n/an/a 0.300n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-A (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50433630
PNG
(CHEMBL2380834)
Show SMILES Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H16F4N4O2/c27-14-5-10-19(20(13-14)26(28,29)30)25(36)33-16-8-6-15(7-9-16)32-21-11-12-31-23-22(21)17-3-1-2-4-18(17)24(35)34-23/h1-13H,(H,33,36)(H2,31,32,34,35)
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n/an/a 0.400n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50433636
PNG
(CHEMBL2380829)
Show SMILES Fc1cccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c1F
Show InChI InChI=1S/C25H16F2N4O2/c26-19-7-3-6-18(22(19)27)25(33)30-15-10-8-14(9-11-15)29-20-12-13-28-23-21(20)16-4-1-2-5-17(16)24(32)31-23/h1-13H,(H,30,33)(H2,28,29,31,32)
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n/an/a 0.5n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50433634
PNG
(CHEMBL2380831)
Show SMILES Fc1cccc(F)c1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Show InChI InChI=1S/C25H16F2N4O2/c26-18-6-3-7-19(27)22(18)25(33)30-15-10-8-14(9-11-15)29-20-12-13-28-23-21(20)16-4-1-2-5-17(16)24(32)31-23/h1-13H,(H,30,33)(H2,28,29,31,32)
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n/an/a 0.600n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50433632
PNG
(CHEMBL2380833)
Show SMILES Fc1cc(F)cc(c1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Show InChI InChI=1S/C25H16F2N4O2/c26-15-11-14(12-16(27)13-15)24(32)30-18-7-5-17(6-8-18)29-21-9-10-28-23-22(21)19-3-1-2-4-20(19)25(33)31-23/h1-13H,(H,30,32)(H2,28,29,31,33)
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n/an/a 0.700n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50433633
PNG
(CHEMBL2380832)
Show SMILES Fc1ccc(cc1F)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Show InChI InChI=1S/C25H16F2N4O2/c26-19-10-5-14(13-20(19)27)24(32)30-16-8-6-15(7-9-16)29-21-11-12-28-23-22(21)17-3-1-2-4-18(17)25(33)31-23/h1-13H,(H,30,32)(H2,28,29,31,33)
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n/an/a 0.800n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50433638
PNG
(CHEMBL2380827)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Show InChI InChI=1S/C25H17FN4O2/c26-16-7-5-15(6-8-16)24(31)29-18-11-9-17(10-12-18)28-21-13-14-27-23-22(21)19-3-1-2-4-20(19)25(32)30-23/h1-14H,(H,29,31)(H2,27,28,30,32)
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n/an/a 1n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50433631
PNG
(CHEMBL2380838)
Show SMILES COc1cccc(F)c1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Show InChI InChI=1S/C26H19FN4O3/c1-34-21-8-4-7-19(27)23(21)26(33)30-16-11-9-15(10-12-16)29-20-13-14-28-24-22(20)17-5-2-3-6-18(17)25(32)31-24/h2-14H,1H3,(H,30,33)(H2,28,29,31,32)
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n/an/a 1n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50433635
PNG
(CHEMBL2380830)
Show SMILES Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c(F)c1
Show InChI InChI=1S/C25H16F2N4O2/c26-14-5-10-19(20(27)13-14)25(33)30-16-8-6-15(7-9-16)29-21-11-12-28-23-22(21)17-3-1-2-4-18(17)24(32)31-23/h1-13H,(H,30,33)(H2,28,29,31,32)
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n/an/a 1n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50433640
PNG
(CHEMBL2380825)
Show SMILES Fc1cccc(c1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Show InChI InChI=1S/C25H17FN4O2/c26-16-5-3-4-15(14-16)24(31)29-18-10-8-17(9-11-18)28-21-12-13-27-23-22(21)19-6-1-2-7-20(19)25(32)30-23/h1-14H,(H,29,31)(H2,27,28,30,32)
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n/an/a 1n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50433641
PNG
(CHEMBL2380824)
Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Show InChI InChI=1S/C26H17F3N4O2/c27-26(28,29)20-8-4-3-7-19(20)25(35)32-16-11-9-15(10-12-16)31-21-13-14-30-23-22(21)17-5-1-2-6-18(17)24(34)33-23/h1-14H,(H,32,35)(H2,30,31,33,34)
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n/an/a 1n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50433629
PNG
(CHEMBL2380845)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)
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n/an/a 1n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50433652
PNG
(CHEMBL2380835)
Show SMILES Fc1c(cccc1C(F)(F)F)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Show InChI InChI=1S/C26H16F4N4O2/c27-22-18(6-3-7-19(22)26(28,29)30)25(36)33-15-10-8-14(9-11-15)32-20-12-13-31-23-21(20)16-4-1-2-5-17(16)24(35)34-23/h1-13H,(H,33,36)(H2,31,32,34,35)
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n/an/a 1n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50433639
PNG
(CHEMBL2380826)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Show InChI InChI=1S/C26H20N4O2/c1-16-6-8-17(9-7-16)25(31)29-19-12-10-18(11-13-19)28-22-14-15-27-24-23(22)20-4-2-3-5-21(20)26(32)30-24/h2-15H,1H3,(H,29,31)(H2,27,28,30,32)
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n/an/a 2n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50433642
PNG
(CHEMBL2380823)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Show InChI InChI=1S/C25H17FN4O2/c26-20-8-4-3-7-19(20)25(32)29-16-11-9-15(10-12-16)28-21-13-14-27-23-22(21)17-5-1-2-6-18(17)24(31)30-23/h1-14H,(H,29,32)(H2,27,28,30,31)
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n/an/a 2n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50433643
PNG
(CHEMBL2380839)
Show SMILES COc1ccccc1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Show InChI InChI=1S/C26H20N4O3/c1-33-22-9-5-4-8-20(22)26(32)29-17-12-10-16(11-13-17)28-21-14-15-27-24-23(21)18-6-2-3-7-19(18)25(31)30-24/h2-15H,1H3,(H,29,32)(H2,27,28,30,31)
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EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50433636
PNG
(CHEMBL2380829)
Show SMILES Fc1cccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c1F
Show InChI InChI=1S/C25H16F2N4O2/c26-19-7-3-6-18(22(19)27)25(33)30-15-10-8-14(9-11-15)29-20-12-13-28-23-21(20)16-4-1-2-5-17(16)24(32)31-23/h1-13H,(H,30,33)(H2,28,29,31,32)
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EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-A (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50433635
PNG
(CHEMBL2380830)
Show SMILES Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c(F)c1
Show InChI InChI=1S/C25H16F2N4O2/c26-14-5-10-19(20(27)13-14)25(33)30-16-8-6-15(7-9-16)29-21-11-12-28-23-22(21)17-3-1-2-4-18(17)24(32)31-23/h1-13H,(H,30,33)(H2,28,29,31,32)
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n/an/a 2n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-A (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50433631
PNG
(CHEMBL2380838)
Show SMILES COc1cccc(F)c1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Show InChI InChI=1S/C26H19FN4O3/c1-34-21-8-4-7-19(27)23(21)26(33)30-16-11-9-15(10-12-16)29-20-13-14-28-24-22(20)17-5-2-3-6-18(17)25(32)31-24/h2-14H,1H3,(H,30,33)(H2,28,29,31,32)
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EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-A (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50433639
PNG
(CHEMBL2380826)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Show InChI InChI=1S/C26H20N4O2/c1-16-6-8-17(9-7-16)25(31)29-19-12-10-18(11-13-19)28-22-14-15-27-24-23(22)20-4-2-3-5-21(20)26(32)30-24/h2-15H,1H3,(H,29,31)(H2,27,28,30,32)
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n/an/a 3n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-A (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50433638
PNG
(CHEMBL2380827)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Show InChI InChI=1S/C25H17FN4O2/c26-16-7-5-15(6-8-16)24(31)29-18-11-9-17(10-12-18)28-21-13-14-27-23-22(21)19-3-1-2-4-20(19)25(32)30-23/h1-14H,(H,29,31)(H2,27,28,30,32)
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n/an/a 4n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-A (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50433629
PNG
(CHEMBL2380845)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)
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n/an/a 4n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-A (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (human))
BDBM50433641
PNG
(CHEMBL2380824)
Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Show InChI InChI=1S/C26H17F3N4O2/c27-26(28,29)20-8-4-3-7-19(20)25(35)32-16-11-9-15(10-12-16)31-21-13-14-30-23-22(21)17-5-1-2-6-18(17)24(34)33-23/h1-14H,(H,32,35)(H2,30,31,33,34)
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n/an/a 4n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-A (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50433634
PNG
(CHEMBL2380831)
Show SMILES Fc1cccc(F)c1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Show InChI InChI=1S/C25H16F2N4O2/c26-18-6-3-7-19(27)22(18)25(33)30-15-10-8-14(9-11-15)29-20-12-13-28-23-21(20)16-4-1-2-5-17(16)24(32)31-23/h1-13H,(H,30,33)(H2,28,29,31,32)
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n/an/a 5n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-A (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50433637
PNG
(CHEMBL2380828)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Show InChI InChI=1S/C26H17F3N4O2/c27-26(28,29)16-7-5-15(6-8-16)24(34)32-18-11-9-17(10-12-18)31-21-13-14-30-23-22(21)19-3-1-2-4-20(19)25(35)33-23/h1-14H,(H,32,34)(H2,30,31,33,35)
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n/an/a 6n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50433633
PNG
(CHEMBL2380832)
Show SMILES Fc1ccc(cc1F)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Show InChI InChI=1S/C25H16F2N4O2/c26-19-10-5-14(13-20(19)27)24(32)30-16-8-6-15(7-9-16)29-21-11-12-28-23-22(21)17-3-1-2-4-18(17)25(33)31-23/h1-13H,(H,30,32)(H2,28,29,31,33)
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n/an/a 7n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-A (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50433643
PNG
(CHEMBL2380839)
Show SMILES COc1ccccc1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Show InChI InChI=1S/C26H20N4O3/c1-33-22-9-5-4-8-20(22)26(32)29-17-12-10-16(11-13-17)28-21-14-15-27-24-23(21)18-6-2-3-7-19(18)25(31)30-24/h2-15H,1H3,(H,29,32)(H2,27,28,30,31)
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n/an/a 7n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-A (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50433652
PNG
(CHEMBL2380835)
Show SMILES Fc1c(cccc1C(F)(F)F)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Show InChI InChI=1S/C26H16F4N4O2/c27-22-18(6-3-7-19(22)26(28,29)30)25(36)33-15-10-8-14(9-11-15)32-20-12-13-31-23-21(20)16-4-1-2-5-17(16)24(35)34-23/h1-13H,(H,33,36)(H2,31,32,34,35)
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n/an/a 7n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-A (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50433632
PNG
(CHEMBL2380833)
Show SMILES Fc1cc(F)cc(c1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Show InChI InChI=1S/C25H16F2N4O2/c26-15-11-14(12-16(27)13-15)24(32)30-18-7-5-17(6-8-18)29-21-9-10-28-23-22(21)19-3-1-2-4-20(19)25(33)31-23/h1-13H,(H,30,32)(H2,28,29,31,33)
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n/an/a 7n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-A (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50433640
PNG
(CHEMBL2380825)
Show SMILES Fc1cccc(c1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Show InChI InChI=1S/C25H17FN4O2/c26-16-5-3-4-15(14-16)24(31)29-18-10-8-17(9-11-18)28-21-12-13-27-23-22(21)19-6-1-2-7-20(19)25(32)30-23/h1-14H,(H,29,31)(H2,27,28,30,32)
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n/an/a 7n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-A (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50433642
PNG
(CHEMBL2380823)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Show InChI InChI=1S/C25H17FN4O2/c26-20-8-4-3-7-19(20)25(32)29-16-11-9-15(10-12-16)28-21-13-14-27-23-22(21)17-5-1-2-6-18(17)24(31)30-23/h1-14H,(H,29,32)(H2,27,28,30,31)
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n/an/a 9n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-A (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50433654
PNG
(CHEMBL2380836)
Show SMILES Fc1cc(ccc1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)C(F)(F)F
Show InChI InChI=1S/C26H16F4N4O2/c27-20-13-14(26(28,29)30)5-10-19(20)25(36)33-16-8-6-15(7-9-16)32-21-11-12-31-23-22(21)17-3-1-2-4-18(17)24(35)34-23/h1-13H,(H,33,36)(H2,31,32,34,35)
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n/an/a 9n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-A (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50433653
PNG
(CHEMBL2380837)
Show SMILES Fc1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Show InChI InChI=1S/C26H16F4N4O2/c27-16-12-14(11-15(13-16)26(28,29)30)24(35)33-18-7-5-17(6-8-18)32-21-9-10-31-23-22(21)19-3-1-2-4-20(19)25(36)34-23/h1-13H,(H,33,35)(H2,31,32,34,36)
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n/an/a 9n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-A (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50433646
PNG
(CHEMBL2380846)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cn1)c1ccccc1
Show InChI InChI=1S/C24H17N5O2/c30-23(15-6-2-1-3-7-15)28-20-11-10-16(14-26-20)27-19-12-13-25-22-21(19)17-8-4-5-9-18(17)24(31)29-22/h1-14H,(H,26,28,30)(H2,25,27,29,31)
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n/an/a 13n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50433629
PNG
(CHEMBL2380845)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)
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n/an/a 15n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Ret (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens)
BDBM50433630
PNG
(CHEMBL2380834)
Show SMILES Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H16F4N4O2/c27-14-5-10-19(20(13-14)26(28,29)30)25(36)33-16-8-6-15(7-9-16)32-21-11-12-31-23-22(21)17-3-1-2-4-18(17)24(35)34-23/h1-13H,(H,33,36)(H2,31,32,34,35)
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n/an/a 18n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50433644
PNG
(CHEMBL2380848)
Show SMILES O=C(Nc1ncc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cn1)c1ccccc1
Show InChI InChI=1S/C23H16N6O2/c30-21(14-6-2-1-3-7-14)29-23-25-12-15(13-26-23)27-18-10-11-24-20-19(18)16-8-4-5-9-17(16)22(31)28-20/h1-13H,(H2,24,27,28,31)(H,25,26,29,30)
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n/an/a 21n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50433637
PNG
(CHEMBL2380828)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Show InChI InChI=1S/C26H17F3N4O2/c27-26(28,29)16-7-5-15(6-8-16)24(34)32-18-11-9-17(10-12-18)31-21-13-14-30-23-22(21)19-3-1-2-4-20(19)25(35)33-23/h1-14H,(H,32,34)(H2,30,31,33,35)
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n/an/a 27n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-A (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens)
BDBM50433629
PNG
(CHEMBL2380845)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)
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n/an/a 36n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50433629
PNG
(CHEMBL2380845)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)
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n/an/a 41n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CHK2 (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50433630
PNG
(CHEMBL2380834)
Show SMILES Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H16F4N4O2/c27-14-5-10-19(20(13-14)26(28,29)30)25(36)33-16-8-6-15(7-9-16)32-21-11-12-31-23-22(21)17-3-1-2-4-18(17)24(35)34-23/h1-13H,(H,33,36)(H2,31,32,34,35)
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n/an/a 52n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-B in human MIAPaCa2 cells assessed as reduction of phosphorylation of histone H3


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50433646
PNG
(CHEMBL2380846)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cn1)c1ccccc1
Show InChI InChI=1S/C24H17N5O2/c30-23(15-6-2-1-3-7-15)28-20-11-10-16(14-26-20)27-19-12-13-25-22-21(19)17-8-4-5-9-18(17)24(31)29-22/h1-14H,(H,26,28,30)(H2,25,27,29,31)
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n/an/a 70n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-A (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50433645
PNG
(CHEMBL2380847)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)nc1)c1ccccc1
Show InChI InChI=1S/C24H17N5O2/c30-23(15-6-2-1-3-7-15)27-16-10-11-20(26-14-16)28-19-12-13-25-22-21(19)17-8-4-5-9-18(17)24(31)29-22/h1-14H,(H,27,30)(H2,25,26,28,29,31)
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n/an/a 79n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50433644
PNG
(CHEMBL2380848)
Show SMILES O=C(Nc1ncc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cn1)c1ccccc1
Show InChI InChI=1S/C23H16N6O2/c30-21(14-6-2-1-3-7-14)29-23-25-12-15(13-26-23)27-18-10-11-24-20-19(18)16-8-4-5-9-17(16)22(31)28-20/h1-13H,(H2,24,27,28,31)(H,25,26,29,30)
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n/an/a 88n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-A (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50433629
PNG
(CHEMBL2380845)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)
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n/an/a 149n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ACK1 (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50433630
PNG
(CHEMBL2380834)
Show SMILES Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H16F4N4O2/c27-14-5-10-19(20(13-14)26(28,29)30)25(36)33-16-8-6-15(7-9-16)32-21-11-12-31-23-22(21)17-3-1-2-4-18(17)24(35)34-23/h1-13H,(H,33,36)(H2,31,32,34,35)
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n/an/a 161n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CHK2 (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50433648
PNG
(CHEMBL2380843)
Show SMILES Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
Show InChI InChI=1S/C18H14N4O/c19-11-5-7-12(8-6-11)21-15-9-10-20-17-16(15)13-3-1-2-4-14(13)18(23)22-17/h1-10H,19H2,(H2,20,21,22,23)
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n/an/a 174n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50433629
PNG
(CHEMBL2380845)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)
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n/an/a 208n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-B in human MIAPaCa2 cells assessed as reduction of phosphorylation of histone H3


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK1


(Homo sapiens)
BDBM50433629
PNG
(CHEMBL2380845)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)
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n/an/a 211n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SIK (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WNK3


(Homo sapiens)
BDBM50433629
PNG
(CHEMBL2380845)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)
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n/an/a 401n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of WNK3 (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
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