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PubMed code 22749643

Compile data set for download or QSAR
Found 69 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))
BDBM50435032
PNG
(CHEMBL2391133)
Show SMILES [O-][N+](=O)c1ccccc1-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C20H14N4O3S/c25-24(26)18-4-2-1-3-17(18)15-7-5-14(6-8-15)13-28-20-23-22-19(27-20)16-9-11-21-12-10-16/h1-12H,13H2
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n/an/a 5.00E+3n/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
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50435040
PNG
(CHEMBL2391119)
Show SMILES COc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C23H18N2O4S/c1-26-19-9-6-17(7-10-19)16-4-2-15(3-5-16)13-30-23-25-24-22(29-23)18-8-11-20-21(12-18)28-14-27-20/h2-12H,13-14H2,1H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK1epsilon 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))
BDBM50435040
PNG
(CHEMBL2391119)
Show SMILES COc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C23H18N2O4S/c1-26-19-9-6-17(7-10-19)16-4-2-15(3-5-16)13-30-23-25-24-22(29-23)18-8-11-20-21(12-18)28-14-27-20/h2-12H,13-14H2,1H3
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n/an/a 4.00E+4n/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))
BDBM50435039
PNG
(CHEMBL2391118)
Show SMILES COc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCOc4c3)cc2)c(c1)C#N
Show InChI InChI=1S/C24H17N3O4S/c1-28-19-7-8-20(18(10-19)12-25)16-4-2-15(3-5-16)13-32-24-27-26-23(31-24)17-6-9-21-22(11-17)30-14-29-21/h2-11H,13-14H2,1H3
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n/an/a 4.50E+4n/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))
BDBM50435037
PNG
(CHEMBL2391127)
Show SMILES N#Cc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C24H17N3O3S/c25-14-16-1-5-18(6-2-16)19-7-3-17(4-8-19)15-31-24-27-26-23(30-24)20-9-10-21-22(13-20)29-12-11-28-21/h1-10,13H,11-12,15H2
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n/an/a 5.00E+4n/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
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50435039
PNG
(CHEMBL2391118)
Show SMILES COc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCOc4c3)cc2)c(c1)C#N
Show InChI InChI=1S/C24H17N3O4S/c1-28-19-7-8-20(18(10-19)12-25)16-4-2-15(3-5-16)13-32-24-27-26-23(31-24)17-6-9-21-22(11-17)30-14-29-21/h2-11H,13-14H2,1H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK1epsilon 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))
BDBM50435026
PNG
(CHEMBL2391100)
Show SMILES CC(=O)Nc1cc(ccn1)-c1nnc(SCc2ccccc2)o1
Show InChI InChI=1S/C16H14N4O2S/c1-11(21)18-14-9-13(7-8-17-14)15-19-20-16(22-15)23-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18,21)
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n/an/a 6.00E+4n/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))
BDBM50435031
PNG
(CHEMBL2391132)
Show SMILES N#Cc1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C21H14N4OS/c22-13-16-2-1-3-19(12-16)17-6-4-15(5-7-17)14-27-21-25-24-20(26-21)18-8-10-23-11-9-18/h1-12H,14H2
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n/an/a 6.00E+4n/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
Casein kinase I delta/epsilon


(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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n/an/a 8.00E+4n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK1epsilon 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
Casein kinase I delta/epsilon


(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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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 CK1epsilon 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
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50435037
PNG
(CHEMBL2391127)
Show SMILES N#Cc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C24H17N3O3S/c25-14-16-1-5-18(6-2-16)19-7-3-17(4-8-19)15-31-24-27-26-23(30-24)20-9-10-21-22(13-20)29-12-11-28-21/h1-10,13H,11-12,15H2
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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 CK1epsilon 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
Cyclin-Dependent Kinase 5 (CDK5)


(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 Cdk5/p35 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
Cyclin-Dependent Kinase 5 (CDK5)


(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 Cdk5/p35 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
Cyclin-Dependent Kinase 5 (CDK5)


(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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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 Cdk5/p35 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
Cyclin-Dependent Kinase 5 (CDK5)


(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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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cdk5/p35 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
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50435037
PNG
(CHEMBL2391127)
Show SMILES N#Cc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C24H17N3O3S/c25-14-16-1-5-18(6-2-16)19-7-3-17(4-8-19)15-31-24-27-26-23(30-24)20-9-10-21-22(13-20)29-12-11-28-21/h1-10,13H,11-12,15H2
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cdk5/p35 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
Cyclin-Dependent Kinase 5 (CDK5)


(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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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 Cdk5/p35 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
Casein kinase I delta/epsilon


(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 CK1epsilon 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
Casein kinase I delta/epsilon


(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 CK1epsilon 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
Cyclin-Dependent Kinase 5 (CDK5)


(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 Cdk5/p35 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
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50435032
PNG
(CHEMBL2391133)
Show SMILES [O-][N+](=O)c1ccccc1-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C20H14N4O3S/c25-24(26)18-4-2-1-3-17(18)15-7-5-14(6-8-15)13-28-20-23-22-19(27-20)16-9-11-21-12-10-16/h1-12H,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 Cdk5/p35 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
Cyclin-Dependent Kinase 5 (CDK5)


(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 Cdk5/p35 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))
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
Casein kinase I delta/epsilon


(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 CK1epsilon 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
Casein kinase I delta/epsilon


(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 CK1epsilon 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
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50435026
PNG
(CHEMBL2391100)
Show SMILES CC(=O)Nc1cc(ccn1)-c1nnc(SCc2ccccc2)o1
Show InChI InChI=1S/C16H14N4O2S/c1-11(21)18-14-9-13(7-8-17-14)15-19-20-16(22-15)23-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18,21)
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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 CK1epsilon 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
Casein kinase I delta/epsilon


(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 CK1epsilon 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
Cyclin-Dependent Kinase 5 (CDK5)


(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 Cdk5/p35 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))
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))
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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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))
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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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))
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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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
Casein kinase I delta/epsilon


(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 CK1epsilon 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
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50435031
PNG
(CHEMBL2391132)
Show SMILES N#Cc1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C21H14N4OS/c22-13-16-2-1-3-19(12-16)17-6-4-15(5-7-17)14-27-21-25-24-20(26-21)18-8-10-23-11-9-18/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 CK1epsilon 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
Casein kinase I delta/epsilon


(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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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 CK1epsilon 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
Cyclin-Dependent Kinase 5 (CDK5)


(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 Cdk5/p35 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
Cyclin-Dependent Kinase 5 (CDK5)


(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 Cdk5/p35 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
Cyclin-Dependent Kinase 5 (CDK5)


(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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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 Cdk5/p35 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
Cyclin-Dependent Kinase 5 (CDK5)


(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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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 Cdk5/p35 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))
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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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))
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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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
Casein kinase I delta/epsilon


(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 CK1epsilon 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
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50435032
PNG
(CHEMBL2391133)
Show SMILES [O-][N+](=O)c1ccccc1-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C20H14N4O3S/c25-24(26)18-4-2-1-3-17(18)15-7-5-14(6-8-15)13-28-20-23-22-19(27-20)16-9-11-21-12-10-16/h1-12H,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 CK1epsilon 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
Casein kinase I delta/epsilon


(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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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 CK1epsilon 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
Casein kinase I delta/epsilon


(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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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK1epsilon 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
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50435026
PNG
(CHEMBL2391100)
Show SMILES CC(=O)Nc1cc(ccn1)-c1nnc(SCc2ccccc2)o1
Show InChI InChI=1S/C16H14N4O2S/c1-11(21)18-14-9-13(7-8-17-14)15-19-20-16(22-15)23-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18,21)
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cdk5/p35 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
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50435039
PNG
(CHEMBL2391118)
Show SMILES COc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCOc4c3)cc2)c(c1)C#N
Show InChI InChI=1S/C24H17N3O4S/c1-28-19-7-8-20(18(10-19)12-25)16-4-2-15(3-5-16)13-32-24-27-26-23(31-24)17-6-9-21-22(11-17)30-14-29-21/h2-11H,13-14H2,1H3
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cdk5/p35 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
Cyclin-Dependent Kinase 5 (CDK5)


(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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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cdk5/p35 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
Cyclin-Dependent Kinase 5 (CDK5)


(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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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cdk5/p35 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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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
Casein kinase I delta/epsilon


(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 CK1epsilon 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
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50435040
PNG
(CHEMBL2391119)
Show SMILES COc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C23H18N2O4S/c1-26-19-9-6-17(7-10-19)16-4-2-15(3-5-16)13-30-23-25-24-22(29-23)18-8-11-20-21(12-18)28-14-27-20/h2-12H,13-14H2,1H3
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cdk5/p35 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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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))
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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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
Casein kinase I delta/epsilon


(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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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 CK1epsilon 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
Cyclin-Dependent Kinase 5 (CDK5)


(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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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 Cdk5/p35 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
Cyclin-Dependent Kinase 5 (CDK5)


(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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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 Cdk5/p35 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
Cyclin-Dependent Kinase 5 (CDK5)


(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 Cdk5/p35 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
Casein kinase I delta/epsilon


(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 CK1epsilon 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
Casein kinase I delta/epsilon


(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 CK1epsilon 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
Casein kinase I delta/epsilon


(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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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 CK1epsilon 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
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50435031
PNG
(CHEMBL2391132)
Show SMILES N#Cc1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C21H14N4OS/c22-13-16-2-1-3-19(12-16)17-6-4-15(5-7-17)14-27-21-25-24-20(26-21)18-8-10-23-11-9-18/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 Cdk5/p35 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
* indicates data uncertainty>20%