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Compile Data Set for Download or QSAR

Found 3059 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))
BDBM50446465
PNG
(CHEMBL3109969)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
Show InChI InChI=1S/C19H19ClN6O2S/c1-25(2)29(27,28)14-4-5-16(15(20)7-14)24-19-8-18-12(9-21-19)6-17(23-18)13-10-22-26(3)11-13/h4-11,23H,1-3H3,(H,21,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Aurora A (unknown origin) using 5FAM-LRRASLG-CONH2 as substrate after 60 mins by fluorescence assay


J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50435018
PNG
(CHEMBL2391124)
Show SMILES Fc1cc(F)cc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C23H16F2N2O3S/c24-18-9-17(10-19(25)12-18)15-3-1-14(2-4-15)13-31-23-27-26-22(30-23)16-5-6-20-21(11-16)29-8-7-28-20/h1-6,9-12H,7-8,13H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AURKA by FRET assay


Eur J Med Chem 61: 26-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.006
BindingDB Entry DOI: 10.7270/Q2KD209T
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50435019
PNG
(CHEMBL2391125)
Show SMILES COc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCCOc4c3)cc2)c(c1)C#N
Show InChI InChI=1S/C25H19N3O4S/c1-29-20-7-8-21(19(12-20)14-26)17-4-2-16(3-5-17)15-33-25-28-27-24(32-25)18-6-9-22-23(13-18)31-11-10-30-22/h2-9,12-13H,10-11,15H2,1H3
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AURKA by FRET assay


Eur J Med Chem 61: 26-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.006
BindingDB Entry DOI: 10.7270/Q2KD209T
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50435020
PNG
(CHEMBL2391126)
Show SMILES COc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C24H20N2O4S/c1-27-20-9-6-18(7-10-20)17-4-2-16(3-5-17)15-31-24-26-25-23(30-24)19-8-11-21-22(14-19)29-13-12-28-21/h2-11,14H,12-13,15H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AURKA by FRET assay


Eur J Med Chem 61: 26-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.006
BindingDB Entry DOI: 10.7270/Q2KD209T
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50435021
PNG
(CHEMBL2391128)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C23H17N3O5S/c27-26(28)19-3-1-2-17(12-19)16-6-4-15(5-7-16)14-32-23-25-24-22(31-23)18-8-9-20-21(13-18)30-11-10-29-20/h1-9,12-13H,10-11,14H2
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AURKA by FRET assay


Eur J Med Chem 61: 26-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.006
BindingDB Entry DOI: 10.7270/Q2KD209T
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50435022
PNG
(CHEMBL2391130)
Show SMILES N#Cc1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C24H17N3O3S/c25-14-17-2-1-3-19(12-17)18-6-4-16(5-7-18)15-31-24-27-26-23(30-24)20-8-9-21-22(13-20)29-11-10-28-21/h1-9,12-13H,10-11,15H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AURKA by FRET assay


Eur J Med Chem 61: 26-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.006
BindingDB Entry DOI: 10.7270/Q2KD209T
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50435023
PNG
(CHEMBL2391129)
Show SMILES [O-][N+](=O)c1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C23H17N3O5S/c27-26(28)19-4-2-1-3-18(19)16-7-5-15(6-8-16)14-32-23-25-24-22(31-23)17-9-10-20-21(13-17)30-12-11-29-20/h1-10,13H,11-12,14H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AURKA by FRET assay


Eur J Med Chem 61: 26-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.006
BindingDB Entry DOI: 10.7270/Q2KD209T
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50435024
PNG
(CHEMBL2391102)
Show SMILES CC(=O)Nc1cc(ccn1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1
Show InChI InChI=1S/C23H17N5O2S/c1-15(29)26-21-12-18(10-11-25-21)22-27-28-23(30-22)31-14-16-6-8-17(9-7-16)20-5-3-2-4-19(20)13-24/h2-12H,14H2,1H3,(H,25,26,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AURKA by FRET assay


Eur J Med Chem 61: 26-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.006
BindingDB Entry DOI: 10.7270/Q2KD209T
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50435025
PNG
(CHEMBL2391101)
Show SMILES CC(=O)Nc1cc(ccn1)-c1nnc(SCc2cccc(c2)C#N)o1
Show InChI InChI=1S/C17H13N5O2S/c1-11(23)20-15-8-14(5-6-19-15)16-21-22-17(24-16)25-10-13-4-2-3-12(7-13)9-18/h2-8H,10H2,1H3,(H,19,20,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AURKA by FRET assay


Eur J Med Chem 61: 26-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.006
BindingDB Entry DOI: 10.7270/Q2KD209T
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50435027
PNG
(CHEMBL2391099)
Show SMILES C(Sc1nnc(o1)-c1ccncc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H15N3OS/c1-2-4-16(5-3-1)17-8-6-15(7-9-17)14-25-20-23-22-19(24-20)18-10-12-21-13-11-18/h1-13H,14H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AURKA by FRET assay


Eur J Med Chem 61: 26-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.006
BindingDB Entry DOI: 10.7270/Q2KD209T
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50435028
PNG
(CHEMBL2391098)
Show SMILES Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccncc3)cc2)c(c1)C#N
Show InChI InChI=1S/C21H13FN4OS/c22-18-5-6-19(17(11-18)12-23)15-3-1-14(2-4-15)13-28-21-26-25-20(27-21)16-7-9-24-10-8-16/h1-11H,13H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AURKA by FRET assay


Eur J Med Chem 61: 26-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.006
BindingDB Entry DOI: 10.7270/Q2KD209T
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50435029
PNG
(CHEMBL2391131)
Show SMILES COc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C21H17N3O2S/c1-25-19-8-6-17(7-9-19)16-4-2-15(3-5-16)14-27-21-24-23-20(26-21)18-10-12-22-13-11-18/h2-13H,14H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AURKA by FRET assay


Eur J Med Chem 61: 26-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.006
BindingDB Entry DOI: 10.7270/Q2KD209T
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50435030
PNG
(CHEMBL2390958)
Show SMILES N#Cc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C21H14N4OS/c22-13-15-1-5-17(6-2-15)18-7-3-16(4-8-18)14-27-21-25-24-20(26-21)19-9-11-23-12-10-19/h1-12H,14H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AURKA by FRET assay


Eur J Med Chem 61: 26-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.006
BindingDB Entry DOI: 10.7270/Q2KD209T
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50435038
PNG
(CHEMBL2391117)
Show SMILES Fc1cc(F)cc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C22H14F2N2O3S/c23-17-7-16(8-18(24)10-17)14-3-1-13(2-4-14)11-30-22-26-25-21(29-22)15-5-6-19-20(9-15)28-12-27-19/h1-10H,11-12H2
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AURKA by FRET assay


Eur J Med Chem 61: 26-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.006
BindingDB Entry DOI: 10.7270/Q2KD209T
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50435033
PNG
(CHEMBL2391120)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C22H15N3O5S/c26-25(27)18-3-1-2-16(10-18)15-6-4-14(5-7-15)12-31-22-24-23-21(30-22)17-8-9-19-20(11-17)29-13-28-19/h1-11H,12-13H2
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AURKA by FRET assay


Eur J Med Chem 61: 26-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.006
BindingDB Entry DOI: 10.7270/Q2KD209T
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50435034
PNG
(CHEMBL2391121)
Show SMILES N#Cc1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C23H15N3O3S/c24-12-16-2-1-3-18(10-16)17-6-4-15(5-7-17)13-30-23-26-25-22(29-23)19-8-9-20-21(11-19)28-14-27-20/h1-11H,13-14H2
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AURKA by FRET assay


Eur J Med Chem 61: 26-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.006
BindingDB Entry DOI: 10.7270/Q2KD209T
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50435035
PNG
(CHEMBL2391122)
Show SMILES [O-][N+](=O)c1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C22H15N3O5S/c26-25(27)18-4-2-1-3-17(18)15-7-5-14(6-8-15)12-31-22-24-23-21(30-22)16-9-10-19-20(11-16)29-13-28-19/h1-11H,12-13H2
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AURKA by FRET assay


Eur J Med Chem 61: 26-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.006
BindingDB Entry DOI: 10.7270/Q2KD209T
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50435036
PNG
(CHEMBL2391123)
Show SMILES C(Sc1nnc(o1)-c1ccc2OCCOc2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H18N2O3S/c1-2-4-17(5-3-1)18-8-6-16(7-9-18)15-29-23-25-24-22(28-23)19-10-11-20-21(14-19)27-13-12-26-20/h1-11,14H,12-13,15H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AURKA by FRET assay


Eur J Med Chem 61: 26-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.006
BindingDB Entry DOI: 10.7270/Q2KD209T
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50360453
PNG
(CHEMBL1934626)
Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccc(CN2CCCC2)c(F)c1
Show InChI InChI=1S/C31H27ClF2N4O/c1-21-27(11-8-22-7-9-24(29(34)16-22)18-38-13-2-3-14-38)31(36-20-35-21)37-26-10-12-30(28(32)17-26)39-19-23-5-4-6-25(33)15-23/h4-7,9-10,12,15-17,20H,2-3,13-14,18-19H2,1H3,(H,35,36,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Bioorg Med Chem Lett 22: 456-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50446433
PNG
(CHEMBL3109963)
Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1c(C)noc1C
Show InChI InChI=1S/C19H18N4O2/c1-11-19(12(2)25-23-11)16-8-13-10-20-18(9-15(13)21-16)22-14-6-4-5-7-17(14)24-3/h4-10,21H,1-3H3,(H,20,22)
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Aurora A (unknown origin) using 5FAM-LRRASLG-CONH2 as substrate after 60 mins by fluorescence assay


J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50446452
PNG
(CHEMBL3109961)
Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(C)c1C
Show InChI InChI=1S/C19H19N5O/c1-12-14(11-21-24(12)2)17-8-13-10-20-19(9-16(13)22-17)23-15-6-4-5-7-18(15)25-3/h4-11,22H,1-3H3,(H,20,23)
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Aurora A (unknown origin) using 5FAM-LRRASLG-CONH2 as substrate after 60 mins by fluorescence assay


J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50420401
PNG
(CHEMBL2089255)
Show SMILES CC(C)(C)Nc1nc(Nc2ccc(cc2)C(N)=O)cc(N)c1C#N
Show InChI InChI=1S/C17H20N6O/c1-17(2,3)23-16-12(9-18)13(19)8-14(22-16)21-11-6-4-10(5-7-11)15(20)24/h4-8H,1-3H3,(H2,20,24)(H4,19,21,22,23)
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Aurora A (unknown origin) using 5FAM-LRRASLG-CONH2 as substrate after 60 mins by fluorescence assay


J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50446455
PNG
(CHEMBL3109958)
Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(CC(F)(F)F)c1
Show InChI InChI=1S/C19H16F3N5O/c1-28-17-5-3-2-4-14(17)26-18-7-16-12(8-23-18)6-15(25-16)13-9-24-27(10-13)11-19(20,21)22/h2-10,25H,11H2,1H3,(H,23,26)
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Aurora A (unknown origin) using 5FAM-LRRASLG-CONH2 as substrate after 60 mins by fluorescence assay


J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50446443
PNG
(CHEMBL3109936)
Show SMILES Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)C(=O)N3CCC3)cc2n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C26H27ClN6O3/c1-26(2,3)36-25(35)33-21(18-14-29-31(4)15-18)11-17-13-28-23(12-22(17)33)30-20-7-6-16(10-19(20)27)24(34)32-8-5-9-32/h6-7,10-15H,5,8-9H2,1-4H3,(H,28,30)
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Aurora A (unknown origin) using 5FAM-LRRASLG-CONH2 as substrate after 60 mins by fluorescence assay


J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50333659
PNG
(6-(3,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-3-p...)
Show SMILES COc1ccc(cc1OC)-c1cc(C(=O)Nc2ccc(C)cc2C)c2c(n[nH]c2n1)-c1ccccc1
Show InChI InChI=1S/C29H26N4O3/c1-17-10-12-22(18(2)14-17)31-29(34)21-16-23(20-11-13-24(35-3)25(15-20)36-4)30-28-26(21)27(32-33-28)19-8-6-5-7-9-19/h5-16H,1-4H3,(H,31,34)(H,30,32,33)
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Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged Aurora A kinase expressed in insect cells


Bioorg Med Chem 19: 907-16 (2011)


Article DOI: 10.1016/j.bmc.2010.11.064
BindingDB Entry DOI: 10.7270/Q2V40VGC
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50333660
PNG
(CHEMBL1643141 | N1-(3-acetamidophenyl)-N2-(2-(2-(4...)
Show SMILES CC(=O)Nc1cccc(NC(=O)C(=O)NCCc2sc(nc2C)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H21ClN4O3S/c1-13-19(31-22(25-13)15-6-8-16(23)9-7-15)10-11-24-20(29)21(30)27-18-5-3-4-17(12-18)26-14(2)28/h3-9,12H,10-11H2,1-2H3,(H,24,29)(H,26,28)(H,27,30)
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Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged Aurora A kinase expressed in insect cells


Bioorg Med Chem 19: 907-16 (2011)


Article DOI: 10.1016/j.bmc.2010.11.064
BindingDB Entry DOI: 10.7270/Q2V40VGC
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50333667
PNG
(CHEMBL1643148 | N-(5-bromothiazol-2-yl)-2-(5-metho...)
Show SMILES COc1ccc2sc(SCC(=O)Nc3ncc(Br)s3)nc2c1
Show InChI InChI=1S/C13H10BrN3O2S3/c1-19-7-2-3-9-8(4-7)16-13(21-9)20-6-11(18)17-12-15-5-10(14)22-12/h2-5H,6H2,1H3,(H,15,17,18)
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Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged Aurora A kinase expressed in insect cells


Bioorg Med Chem 19: 907-16 (2011)


Article DOI: 10.1016/j.bmc.2010.11.064
BindingDB Entry DOI: 10.7270/Q2V40VGC
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A using Tetra(LRRWSLG) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324796
PNG
(3-[1-(4-chlorobenzyl)-1H-indol-3-yl]-N-(4-nitrophe...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C24H20ClN3O3/c25-19-8-5-17(6-9-19)15-27-16-18(22-3-1-2-4-23(22)27)7-14-24(29)26-20-10-12-21(13-11-20)28(30)31/h1-6,8-13,16H,7,14-15H2,(H,26,29)
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Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A after 1 hr


Bioorg Med Chem Lett 20: 5203-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.001
BindingDB Entry DOI: 10.7270/Q21C1X3M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50324797
PNG
(3-(1-(4-chlorobenzyl)-1H-indol-3-yl)-N-(pyridin-4-...)
Show SMILES Clc1ccc(Cn2cc(CCC(=O)Nc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C23H20ClN3O/c24-19-8-5-17(6-9-19)15-27-16-18(21-3-1-2-4-22(21)27)7-10-23(28)26-20-11-13-25-14-12-20/h1-6,8-9,11-14,16H,7,10,15H2,(H,25,26,28)
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Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A after 1 hr


Bioorg Med Chem Lett 20: 5203-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.001
BindingDB Entry DOI: 10.7270/Q21C1X3M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50215745
PNG
(CHEMBL245966 | N-ethyl-5-(2-(3-(6-methoxy-1H-benzo...)
Show SMILES CCNC(=O)c1cncc(C=Cc2c[nH]nc2-c2nc3ccc(OC)cc3[nH]2)c1
Show InChI InChI=1S/C21H20N6O2/c1-3-23-21(28)15-8-13(10-22-11-15)4-5-14-12-24-27-19(14)20-25-17-7-6-16(29-2)9-18(17)26-20/h4-12H,3H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)
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Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of aurora-A


Bioorg Med Chem Lett 17: 4557-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.092
BindingDB Entry DOI: 10.7270/Q2DB81JD
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50215755
PNG
(CHEMBL397549 | methyl 5-(2-(3-(6-methoxy-1H-benzo[...)
Show SMILES COC(=O)c1cncc(C=Cc2c[nH]nc2-c2nc3ccc(OC)cc3[nH]2)c1
Show InChI InChI=1S/C20H17N5O3/c1-27-15-5-6-16-17(8-15)24-19(23-16)18-13(11-22-25-18)4-3-12-7-14(10-21-9-12)20(26)28-2/h3-11H,1-2H3,(H,22,25)(H,23,24)
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Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of aurora-A


Bioorg Med Chem Lett 17: 4557-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.092
BindingDB Entry DOI: 10.7270/Q2DB81JD
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50218886
PNG
(7-chloroindirubin-3-acetoxime | CHEMBL397719)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2c1cccc2Cl
Show InChI InChI=1S/C18H12ClN3O3/c1-9(23)25-22-16-10-5-2-3-8-13(10)20-17(16)14-11-6-4-7-12(19)15(11)21-18(14)24/h2-8,20H,1H3,(H,21,24)
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
BindingDB Entry DOI: 10.7270/Q2PC323X
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50218901
PNG
(7-fluoroindirubin-3-methoxime | CHEMBL397720)
Show SMILES CO\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2c1cccc2F
Show InChI InChI=1S/C17H12FN3O2/c1-23-21-15-9-5-2-3-8-12(9)19-16(15)13-10-6-4-7-11(18)14(10)20-17(13)22/h2-8,19H,1H3,(H,20,22)/b16-13-,21-15-
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
BindingDB Entry DOI: 10.7270/Q2PC323X
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50218903
PNG
(7-iodoindirubin-3-methoxime | CHEMBL244191)
Show SMILES CO\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2c1cccc2I
Show InChI InChI=1S/C17H12IN3O2/c1-23-21-15-9-5-2-3-8-12(9)19-16(15)13-10-6-4-7-11(18)14(10)20-17(13)22/h2-8,19H,1H3,(H,20,22)/b16-13-,21-15-
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
BindingDB Entry DOI: 10.7270/Q2PC323X
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50218897
PNG
(7-bromoindirubin-3-acetoxime | CHEMBL395766)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2c1cccc2Br
Show InChI InChI=1S/C18H12BrN3O3/c1-9(23)25-22-16-10-5-2-3-8-13(10)20-17(16)14-11-6-4-7-12(19)15(11)21-18(14)24/h2-8,20H,1H3,(H,21,24)
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
BindingDB Entry DOI: 10.7270/Q2PC323X
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50218902
PNG
(7-bromoindirubin-3-methoxime | CHEMBL243556)
Show SMILES CO\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2c1cccc2Br
Show InChI InChI=1S/C17H12BrN3O2/c1-23-21-15-9-5-2-3-8-12(9)19-16(15)13-10-6-4-7-11(18)14(10)20-17(13)22/h2-8,19H,1H3,(H,20,22)/b16-13-,21-15-
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
BindingDB Entry DOI: 10.7270/Q2PC323X
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50218891
PNG
(7-iodoindirubin-3-acetoxime | CHEMBL395077)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2c1cccc2I
Show InChI InChI=1S/C18H12IN3O3/c1-9(23)25-22-16-10-5-2-3-8-13(10)20-17(16)14-11-6-4-7-12(19)15(11)21-18(14)24/h2-8,20H,1H3,(H,21,24)
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University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
BindingDB Entry DOI: 10.7270/Q2PC323X
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50218887
PNG
(7-chloroindirubin-3-methoxime | CHEMBL243776)
Show SMILES CO\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2c1cccc2Cl
Show InChI InChI=1S/C17H12ClN3O2/c1-23-21-15-9-5-2-3-8-12(9)19-16(15)13-10-6-4-7-11(18)14(10)20-17(13)22/h2-8,19H,1H3,(H,20,22)/b16-13-,21-15-
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
BindingDB Entry DOI: 10.7270/Q2PC323X
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50251961
PNG
(CHEMBL449217 | N-hexyl-9H-purin-6-amine)
Show SMILES CCCCCCNc1ncnc2nc[nH]c12
Show InChI InChI=1S/C11H17N5/c1-2-3-4-5-6-12-10-9-11(14-7-13-9)16-8-15-10/h7-8H,2-6H2,1H3,(H2,12,13,14,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora kinase A (unknown origin)


Bioorg Med Chem Lett 18: 3978-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.011
BindingDB Entry DOI: 10.7270/Q2T43SWR
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50264659
PNG
(3-oxoisoindoline-4-carboxylic acid | CHEMBL505379)
Show SMILES OC(=O)c1cccc2CNC(=O)c12
Show InChI InChI=1S/C9H7NO3/c11-8-7-5(4-10-8)2-1-3-6(7)9(12)13/h1-3H,4H2,(H,10,11)(H,12,13)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
BindingDB Entry DOI: 10.7270/Q2RF5TVZ
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50264658
PNG
(CHEMBL473040 | methyl 3-oxoisoindoline-4-carboxyla...)
Show SMILES COC(=O)c1cccc2CNC(=O)c12
Show InChI InChI=1S/C10H9NO3/c1-14-10(13)7-4-2-3-6-5-11-9(12)8(6)7/h2-4H,5H2,1H3,(H,11,12)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
BindingDB Entry DOI: 10.7270/Q2RF5TVZ
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50363996
PNG
(CHEMBL1950041)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C34H51N13O13S2/c1-15(48)27-33(59)45-21(30(56)39-10-24(37)50)13-62-61-12-17(35)28(54)44-20(7-16-9-38-14-41-16)34(60)47-6-2-3-22(47)32(58)43-18(4-5-23(36)49)29(55)40-11-25(51)42-19(8-26(52)53)31(57)46-27/h9,14-15,17-22,27,48H,2-8,10-13,35H2,1H3,(H2,36,49)(H2,37,50)(H,38,41)(H,39,56)(H,40,55)(H,42,51)(H,43,58)(H,44,54)(H,45,59)(H,46,57)(H,52,53)/t15-,17+,18+,19+,20+,21+,22+,27+/m1/s1
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n/an/a 1.37E+5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human Aurora A assessed as inhibition of [gamma-33P]ATP incorporation into substrate after 1 hr by liquid scintillation counting


Bioorg Med Chem 19: 6743-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.049
BindingDB Entry DOI: 10.7270/Q2VD6ZXG
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM209964
PNG
(US9249124, RK2-052)
Show SMILES CC(CC(N)=O)c1cccc(Nc2nccc(Nc3cccc(c3)C(F)(F)F)n2)c1
Show InChI InChI=1S/C21H20F3N5O/c1-13(10-18(25)30)14-4-2-6-16(11-14)28-20-26-9-8-19(29-20)27-17-7-3-5-15(12-17)21(22,23)24/h2-9,11-13H,10H2,1H3,(H2,25,30)(H2,26,27,28,29)
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US Patent
n/an/a>1.50E+5n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
The phosphorylation of L-Hse was monitored by coupling the formation of ADP with pyruvate kinase and lactate dehydrogenase (PK/LDH). The resulting ox...


US Patent US9249124 (2016)


BindingDB Entry DOI: 10.7270/Q2J1020R
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM93225
PNG
(Kinase inhibitor, A2)
Show SMILES Nc1cnc2c(cccn2c1=O)-c1c(F)cccc1F
Show InChI InChI=1S/C14H9F2N3O/c15-9-4-1-5-10(16)12(9)8-3-2-6-19-13(8)18-7-11(17)14(19)20/h1-7H,17H2
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n/an/a 1.88E+5n/an/an/an/an/an/a



University of Dundee



Assay Description
Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...


ACS Chem Biol 8: 1044-52 (2013)


Article DOI: 10.1021/cb300729y
BindingDB Entry DOI: 10.7270/Q2MG7N3W
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198026
PNG
(CHEMBL3970952)
Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccncc2)C(=O)N1CC1CCCCC1
Show InChI InChI=1S/C24H27N3OS/c1-2-18-8-10-21(11-9-18)26-24-27(17-20-6-4-3-5-7-20)23(28)22(29-24)16-19-12-14-25-15-13-19/h8-16,20H,2-7,17H2,1H3/b22-16-,26-24-
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n/an/a>2.00E+5n/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...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198158
PNG
(CHEMBL3985380)
Show SMILES CCc1ccc(cc1)\N=C1\SC2(CC2c2ccnc(N)c2)C(=O)N1C
Show InChI InChI=1S/C19H20N4OS/c1-3-12-4-6-14(7-5-12)22-18-23(2)17(24)19(25-18)11-15(19)13-8-9-21-16(20)10-13/h4-10,15H,3,11H2,1-2H3,(H2,20,21)/b22-18+
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n/an/a>2.00E+5n/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...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198072
PNG
(CHEMBL3912939)
Show SMILES Clc1ccc2n(-c3nc4ccccc4[nH]3)c(=O)[nH]c2c1
Show InChI InChI=1S/C14H9ClN4O/c15-8-5-6-12-11(7-8)18-14(20)19(12)13-16-9-3-1-2-4-10(9)17-13/h1-7H,(H,16,17)(H,18,20)
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n/an/a>2.00E+5n/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...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50363997
PNG
(CHEMBL1950042)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C36H55N13O10S2/c1-18(2)29-36(59)49-10-4-6-25(49)34(57)46-23(31(54)41-13-27(39)51)16-61-60-15-20(37)30(53)42-14-28(52)44-22(11-19-12-40-17-43-19)35(58)48-9-3-5-24(48)33(56)45-21(32(55)47-29)7-8-26(38)50/h12,17-18,20-25,29H,3-11,13-16,37H2,1-2H3,(H2,38,50)(H2,39,51)(H,40,43)(H,41,54)(H,42,53)(H,44,52)(H,45,56)(H,46,57)(H,47,55)/t20-,21-,22-,23-,24-,25-,29-/m0/s1
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n/an/a 2.34E+5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human Aurora A assessed as inhibition of [gamma-33P]ATP incorporation into substrate after 1 hr by liquid scintillation counting


Bioorg Med Chem 19: 6743-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.049
BindingDB Entry DOI: 10.7270/Q2VD6ZXG
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50363994
PNG
(CHEMBL1950039)
Show SMILES CC(C)[C@@H]1NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C41H55N13O11S2/c1-20(2)34-41(65)54-9-5-8-30(54)40(64)51-26(10-21-13-45-25-7-4-3-6-23(21)25)38(62)50-27(11-22-14-44-19-48-22)39(63)52-29(37(61)46-15-31(43)55)18-67-66-17-24(42)35(59)49-28(12-33(57)58)36(60)47-16-32(56)53-34/h3-4,6-7,13-14,19-20,24,26-30,34,45H,5,8-12,15-18,42H2,1-2H3,(H2,43,55)(H,44,48)(H,46,61)(H,47,60)(H,49,59)(H,50,62)(H,51,64)(H,52,63)(H,53,56)(H,57,58)/t24-,26-,27-,28-,29-,30-,34-/m0/s1
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n/an/a 2.42E+5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human Aurora A assessed as inhibition of [gamma-33P]ATP incorporation into substrate after 1 hr by liquid scintillation counting


Bioorg Med Chem 19: 6743-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.049
BindingDB Entry DOI: 10.7270/Q2VD6ZXG
More data for this
Ligand-Target Pair
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