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PubMed code 22533818

Compile data set for download or QSAR
Found 84 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
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50389079
PNG
(CHEMBL2064532)
Show SMILES Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCOc4c3)cc2)c(c1)C#N
Show InChI InChI=1S/C23H14FN3O3S/c24-18-6-7-19(17(9-18)11-25)15-3-1-14(2-4-15)12-31-23-27-26-22(30-23)16-5-8-20-21(10-16)29-13-28-20/h1-10H,12-13H2
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n/an/a 2n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3alpha


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50389083
PNG
(CHEMBL2064535)
Show SMILES Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCCOc4c3)cc2)c(c1)C#N
Show InChI InChI=1S/C24H16FN3O3S/c25-19-6-7-20(18(11-19)13-26)16-3-1-15(2-4-16)14-32-24-28-27-23(31-24)17-5-8-21-22(12-17)30-10-9-29-21/h1-8,11-12H,9-10,14H2
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3alpha


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50389081
PNG
(CHEMBL2064534)
Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C24H17N3O3S/c25-14-19-3-1-2-4-20(19)17-7-5-16(6-8-17)15-31-24-27-26-23(30-24)18-9-10-21-22(13-18)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 GSK3alpha


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50389087
PNG
(CHEMBL2064533)
Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C23H15N3O3S/c24-12-18-3-1-2-4-19(18)16-7-5-15(6-8-16)13-30-23-26-25-22(29-23)17-9-10-20-21(11-17)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 GSK3alpha


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50389081
PNG
(CHEMBL2064534)
Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C24H17N3O3S/c25-14-19-3-1-2-4-20(19)17-7-5-16(6-8-17)15-31-24-27-26-23(30-24)18-9-10-21-22(13-18)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 GSK3beta using pIRS-1 as substrate preincubated for 15 mins


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50389080
PNG
(CHEMBL2064515)
Show SMILES N#Cc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C23H15N3O3S/c24-12-15-1-5-17(6-2-15)18-7-3-16(4-8-18)13-30-23-26-25-22(29-23)19-9-10-20-21(11-19)28-14-27-20/h1-11H,13-14H2
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n/an/a 6n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3alpha


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50389086
PNG
(CHEMBL2064531)
Show SMILES C(Sc1nnc(o1)-c1ccc2OCOc2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H16N2O3S/c1-2-4-16(5-3-1)17-8-6-15(7-9-17)13-28-22-24-23-21(27-22)18-10-11-19-20(12-18)26-14-25-19/h1-12H,13-14H2
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n/an/a 9n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3alpha


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50389085
PNG
(CHEMBL2064520)
Show SMILES COC(=O)c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C19H16N2O5S/c1-23-18(22)13-4-2-12(3-5-13)11-27-19-21-20-17(26-19)14-6-7-15-16(10-14)25-9-8-24-15/h2-7,10H,8-9,11H2,1H3
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3alpha


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50389089
PNG
(CHEMBL2064517)
Show SMILES N#Cc1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C17H11N3O3S/c18-8-11-1-3-12(4-2-11)9-24-17-20-19-16(23-17)13-5-6-14-15(7-13)22-10-21-14/h1-7H,9-10H2
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3alpha


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50389088
PNG
(CHEMBL2064516)
Show SMILES N#Cc1cccc(CSc2nnc(o2)-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C17H11N3O3S/c18-8-11-2-1-3-12(6-11)9-24-17-20-19-16(23-17)13-4-5-14-15(7-13)22-10-21-14/h1-7H,9-10H2
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3alpha


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50389078
PNG
(CHEMBL2064539)
Show SMILES COC[C@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|
Show InChI InChI=1S/C26H21N3O4S/c1-30-14-21-15-31-23-11-10-19(12-24(23)32-21)25-28-29-26(33-25)34-16-17-6-8-18(9-7-17)22-5-3-2-4-20(22)13-27/h2-12,21H,14-16H2,1H3/t21-/m0/s1
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3alpha


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50389082
PNG
(CHEMBL2064536)
Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C21H14N4OS/c22-13-18-3-1-2-4-19(18)16-7-5-15(6-8-16)14-27-21-25-24-20(26-21)17-9-11-23-12-10-17/h1-12H,14H2
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n/an/a 19n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3alpha


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50389079
PNG
(CHEMBL2064532)
Show SMILES Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCOc4c3)cc2)c(c1)C#N
Show InChI InChI=1S/C23H14FN3O3S/c24-18-6-7-19(17(9-18)11-25)15-3-1-14(2-4-15)12-31-23-27-26-22(30-23)16-5-8-20-21(10-16)29-13-28-20/h1-10H,12-13H2
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50389085
PNG
(CHEMBL2064520)
Show SMILES COC(=O)c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C19H16N2O5S/c1-23-18(22)13-4-2-12(3-5-13)11-27-19-21-20-17(26-19)14-6-7-15-16(10-14)25-9-8-24-15/h2-7,10H,8-9,11H2,1H3
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n/an/a 36n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50389087
PNG
(CHEMBL2064533)
Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C23H15N3O3S/c24-12-18-3-1-2-4-19(18)16-7-5-15(6-8-16)13-30-23-26-25-22(29-23)17-9-10-20-21(11-17)28-14-27-20/h1-11H,13-14H2
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n/an/a 39n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50389082
PNG
(CHEMBL2064536)
Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C21H14N4OS/c22-13-18-3-1-2-4-19(18)16-7-5-15(6-8-16)14-27-21-25-24-20(26-21)17-9-11-23-12-10-17/h1-12H,14H2
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n/an/a 41n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50389091
PNG
(CHEMBL2064519)
Show SMILES N#Cc1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C18H13N3O3S/c19-10-12-1-3-13(4-2-12)11-25-18-21-20-17(24-18)14-5-6-15-16(9-14)23-8-7-22-15/h1-6,9H,7-8,11H2
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n/an/a 45n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3alpha


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50389078
PNG
(CHEMBL2064539)
Show SMILES COC[C@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|
Show InChI InChI=1S/C26H21N3O4S/c1-30-14-21-15-31-23-11-10-19(12-24(23)32-21)25-28-29-26(33-25)34-16-17-6-8-18(9-7-17)22-5-3-2-4-20(22)13-27/h2-12,21H,14-16H2,1H3/t21-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3alpha


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50389088
PNG
(CHEMBL2064516)
Show SMILES N#Cc1cccc(CSc2nnc(o2)-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C17H11N3O3S/c18-8-11-2-1-3-12(6-11)9-24-17-20-19-16(23-17)13-4-5-14-15(7-13)22-10-21-14/h1-7H,9-10H2
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n/an/a 65n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50389090
PNG
(CHEMBL2064518)
Show SMILES N#Cc1cccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)c1
Show InChI InChI=1S/C18H13N3O3S/c19-10-12-2-1-3-13(8-12)11-25-18-21-20-17(24-18)14-4-5-15-16(9-14)23-7-6-22-15/h1-5,8-9H,6-7,11H2
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n/an/a 86n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50389090
PNG
(CHEMBL2064518)
Show SMILES N#Cc1cccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)c1
Show InChI InChI=1S/C18H13N3O3S/c19-10-12-2-1-3-13(8-12)11-25-18-21-20-17(24-18)14-4-5-15-16(9-14)23-7-6-22-15/h1-5,8-9H,6-7,11H2
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n/an/a 95n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3alpha


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50389093
PNG
(CHEMBL2064522)
Show SMILES C(Sc1nnc(o1)-c1ccc2OCOc2c1)c1ccc(cc1)-c1nnn[nH]1
Show InChI InChI=1S/C17H12N6O3S/c1-3-11(15-18-22-23-19-15)4-2-10(1)8-27-17-21-20-16(26-17)12-5-6-13-14(7-12)25-9-24-13/h1-7H,8-9H2,(H,18,19,22,23)
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n/an/a 107n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3alpha


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50389078
PNG
(CHEMBL2064539)
Show SMILES COC[C@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|
Show InChI InChI=1S/C26H21N3O4S/c1-30-14-21-15-31-23-11-10-19(12-24(23)32-21)25-28-29-26(33-25)34-16-17-6-8-18(9-7-17)22-5-3-2-4-20(22)13-27/h2-12,21H,14-16H2,1H3/t21-/m0/s1
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n/an/a 129n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50389089
PNG
(CHEMBL2064517)
Show SMILES N#Cc1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C17H11N3O3S/c18-8-11-1-3-12(4-2-11)9-24-17-20-19-16(23-17)13-5-6-14-15(7-13)22-10-21-14/h1-7H,9-10H2
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n/an/a 130n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50389091
PNG
(CHEMBL2064519)
Show SMILES N#Cc1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C18H13N3O3S/c19-10-12-1-3-13(4-2-12)11-25-18-21-20-17(24-18)14-5-6-15-16(9-14)23-8-7-22-15/h1-6,9H,7-8,11H2
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n/an/a 166n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50389093
PNG
(CHEMBL2064522)
Show SMILES C(Sc1nnc(o1)-c1ccc2OCOc2c1)c1ccc(cc1)-c1nnn[nH]1
Show InChI InChI=1S/C17H12N6O3S/c1-3-11(15-18-22-23-19-15)4-2-10(1)8-27-17-21-20-16(26-17)12-5-6-13-14(7-12)25-9-24-13/h1-7H,8-9H2,(H,18,19,22,23)
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n/an/a 172n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50389086
PNG
(CHEMBL2064531)
Show SMILES C(Sc1nnc(o1)-c1ccc2OCOc2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H16N2O3S/c1-2-4-16(5-3-1)17-8-6-15(7-9-17)13-28-22-24-23-21(27-22)18-10-11-19-20(12-18)26-14-25-19/h1-12H,13-14H2
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n/an/a 176n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50389083
PNG
(CHEMBL2064535)
Show SMILES Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCCOc4c3)cc2)c(c1)C#N
Show InChI InChI=1S/C24H16FN3O3S/c25-19-6-7-20(18(11-19)13-26)16-3-1-15(2-4-16)14-32-24-28-27-23(31-24)17-5-8-21-22(12-17)30-10-9-29-21/h1-8,11-12H,9-10,14H2
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n/an/a 185n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50389084
PNG
(CHEMBL2064538)
Show SMILES COC[C@@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|
Show InChI InChI=1S/C26H21N3O4S/c1-30-14-21-15-31-23-11-10-19(12-24(23)32-21)25-28-29-26(33-25)34-16-17-6-8-18(9-7-17)22-5-3-2-4-20(22)13-27/h2-12,21H,14-16H2,1H3/t21-/m1/s1
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n/an/a 195n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3alpha


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50389078
PNG
(CHEMBL2064539)
Show SMILES COC[C@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|
Show InChI InChI=1S/C26H21N3O4S/c1-30-14-21-15-31-23-11-10-19(12-24(23)32-21)25-28-29-26(33-25)34-16-17-6-8-18(9-7-17)22-5-3-2-4-20(22)13-27/h2-12,21H,14-16H2,1H3/t21-/m0/s1
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n/an/a 233n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50389080
PNG
(CHEMBL2064515)
Show SMILES N#Cc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C23H15N3O3S/c24-12-15-1-5-17(6-2-15)18-7-3-16(4-8-18)13-30-23-26-25-22(29-23)19-9-10-20-21(11-19)28-14-27-20/h1-11H,13-14H2
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n/an/a 316n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM8552
PNG
(2-{[(3-iodophenyl)methyl]sulfanyl}-5-(pyridin-4-yl...)
Show SMILES Ic1cccc(CSc2nnc(o2)-c2ccncc2)c1
Show InChI InChI=1S/C14H10IN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-8H,9H2
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n/an/a 390n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3alpha


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50389084
PNG
(CHEMBL2064538)
Show SMILES COC[C@@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|
Show InChI InChI=1S/C26H21N3O4S/c1-30-14-21-15-31-23-11-10-19(12-24(23)32-21)25-28-29-26(33-25)34-16-17-6-8-18(9-7-17)22-5-3-2-4-20(22)13-27/h2-12,21H,14-16H2,1H3/t21-/m1/s1
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n/an/a 758n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8552
PNG
(2-{[(3-iodophenyl)methyl]sulfanyl}-5-(pyridin-4-yl...)
Show SMILES Ic1cccc(CSc2nnc(o2)-c2ccncc2)c1
Show InChI InChI=1S/C14H10IN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-8H,9H2
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n/an/a 790n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8548
PNG
(2-(benzylsulfanyl)-5-(pyridin-4-yl)-1,3,4-oxadiazo...)
Show SMILES C(Sc1nnc(o1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C14H11N3OS/c1-2-4-11(5-3-1)10-19-14-17-16-13(18-14)12-6-8-15-9-7-12/h1-9H,10H2
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n/an/a 1.32E+3n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM8548
PNG
(2-(benzylsulfanyl)-5-(pyridin-4-yl)-1,3,4-oxadiazo...)
Show SMILES C(Sc1nnc(o1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C14H11N3OS/c1-2-4-11(5-3-1)10-19-14-17-16-13(18-14)12-6-8-15-9-7-12/h1-9H,10H2
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n/an/a 2.24E+3n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3alpha


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50389092
PNG
(CHEMBL2064521)
Show SMILES N#Cc1cccc(CSc2nnc(o2)-c2ccncc2)c1
Show InChI InChI=1S/C15H10N4OS/c16-9-11-2-1-3-12(8-11)10-21-15-19-18-14(20-15)13-4-6-17-7-5-13/h1-8H,10H2
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n/an/a 3.16E+3n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50389092
PNG
(CHEMBL2064521)
Show SMILES N#Cc1cccc(CSc2nnc(o2)-c2ccncc2)c1
Show InChI InChI=1S/C15H10N4OS/c16-9-11-2-1-3-12(8-11)10-21-15-19-18-14(20-15)13-4-6-17-7-5-13/h1-8H,10H2
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n/an/a 3.21E+3n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3alpha


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50389083
PNG
(CHEMBL2064535)
Show SMILES Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCCOc4c3)cc2)c(c1)C#N
Show InChI InChI=1S/C24H16FN3O3S/c25-19-6-7-20(18(11-19)13-26)16-3-1-15(2-4-16)14-32-24-28-27-23(31-24)17-5-8-21-22(12-17)30-10-9-29-21/h1-8,11-12H,9-10,14H2
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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


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM69279
PNG
(4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylme...)
Show SMILES N#Cc1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C15H10N4OS/c16-9-11-1-3-12(4-2-11)10-21-15-19-18-14(20-15)13-5-7-17-8-6-13/h1-8H,10H2
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n/an/a 7.38E+3n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3alpha


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69279
PNG
(4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylme...)
Show SMILES N#Cc1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C15H10N4OS/c16-9-11-1-3-12(4-2-11)10-21-15-19-18-14(20-15)13-5-7-17-8-6-13/h1-8H,10H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50389079
PNG
(CHEMBL2064532)
Show SMILES Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCOc4c3)cc2)c(c1)C#N
Show InChI InChI=1S/C23H14FN3O3S/c24-18-6-7-19(17(9-18)11-25)15-3-1-14(2-4-15)12-31-23-27-26-22(30-23)16-5-8-20-21(10-16)29-13-28-20/h1-10H,12-13H2
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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


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50389080
PNG
(CHEMBL2064515)
Show SMILES N#Cc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C23H15N3O3S/c24-12-15-1-5-17(6-2-15)18-7-3-16(4-8-18)13-30-23-26-25-22(29-23)19-9-10-20-21(11-19)28-14-27-20/h1-11H,13-14H2
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n/an/a 3.00E+4n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AurKA by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50389079
PNG
(CHEMBL2064532)
Show SMILES Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCOc4c3)cc2)c(c1)C#N
Show InChI InChI=1S/C23H14FN3O3S/c24-18-6-7-19(17(9-18)11-25)15-3-1-14(2-4-15)12-31-23-27-26-22(30-23)16-5-8-20-21(10-16)29-13-28-20/h1-10H,12-13H2
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n/an/a 3.00E+4n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AurKA by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50389078
PNG
(CHEMBL2064539)
Show SMILES COC[C@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|
Show InChI InChI=1S/C26H21N3O4S/c1-30-14-21-15-31-23-11-10-19(12-24(23)32-21)25-28-29-26(33-25)34-16-17-6-8-18(9-7-17)22-5-3-2-4-20(22)13-27/h2-12,21H,14-16H2,1H3/t21-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AurKA by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50389080
PNG
(CHEMBL2064515)
Show SMILES N#Cc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C23H15N3O3S/c24-12-15-1-5-17(6-2-15)18-7-3-16(4-8-18)13-30-23-26-25-22(29-23)19-9-10-20-21(11-19)28-14-27-20/h1-11H,13-14H2
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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 CK1epsilon by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50389078
PNG
(CHEMBL2064539)
Show SMILES COC[C@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|
Show InChI InChI=1S/C26H21N3O4S/c1-30-14-21-15-31-23-11-10-19(12-24(23)32-21)25-28-29-26(33-25)34-16-17-6-8-18(9-7-17)22-5-3-2-4-20(22)13-27/h2-12,21H,14-16H2,1H3/t21-/m0/s1
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50389086
PNG
(CHEMBL2064531)
Show SMILES C(Sc1nnc(o1)-c1ccc2OCOc2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H16N2O3S/c1-2-4-16(5-3-1)17-8-6-15(7-9-17)13-28-22-24-23-21(27-22)18-10-11-19-20(12-18)26-14-25-19/h1-12H,13-14H2
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK1epsilon by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50389081
PNG
(CHEMBL2064534)
Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C24H17N3O3S/c25-14-19-3-1-2-4-20(19)17-7-5-16(6-8-17)15-31-24-27-26-23(30-24)18-9-10-21-22(13-18)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 CK1epsilon by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50389084
PNG
(CHEMBL2064538)
Show SMILES COC[C@@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|
Show InChI InChI=1S/C26H21N3O4S/c1-30-14-21-15-31-23-11-10-19(12-24(23)32-21)25-28-29-26(33-25)34-16-17-6-8-18(9-7-17)22-5-3-2-4-20(22)13-27/h2-12,21H,14-16H2,1H3/t21-/m1/s1
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p35 by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50389087
PNG
(CHEMBL2064533)
Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C23H15N3O3S/c24-12-18-3-1-2-4-19(18)16-7-5-15(6-8-16)13-30-23-26-25-22(29-23)17-9-10-20-21(11-17)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 PKCalpha by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50389079
PNG
(CHEMBL2064532)
Show SMILES Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCOc4c3)cc2)c(c1)C#N
Show InChI InChI=1S/C23H14FN3O3S/c24-18-6-7-19(17(9-18)11-25)15-3-1-14(2-4-15)12-31-23-27-26-22(30-23)16-5-8-20-21(10-16)29-13-28-20/h1-10H,12-13H2
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50389086
PNG
(CHEMBL2064531)
Show SMILES C(Sc1nnc(o1)-c1ccc2OCOc2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H16N2O3S/c1-2-4-16(5-3-1)17-8-6-15(7-9-17)13-28-22-24-23-21(27-22)18-10-11-19-20(12-18)26-14-25-19/h1-12H,13-14H2
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AurKA by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50389084
PNG
(CHEMBL2064538)
Show SMILES COC[C@@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|
Show InChI InChI=1S/C26H21N3O4S/c1-30-14-21-15-31-23-11-10-19(12-24(23)32-21)25-28-29-26(33-25)34-16-17-6-8-18(9-7-17)22-5-3-2-4-20(22)13-27/h2-12,21H,14-16H2,1H3/t21-/m1/s1
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK1epsilon by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50389080
PNG
(CHEMBL2064515)
Show SMILES N#Cc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C23H15N3O3S/c24-12-15-1-5-17(6-2-15)18-7-3-16(4-8-18)13-30-23-26-25-22(29-23)19-9-10-20-21(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 PKCalpha by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50389078
PNG
(CHEMBL2064539)
Show SMILES COC[C@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|
Show InChI InChI=1S/C26H21N3O4S/c1-30-14-21-15-31-23-11-10-19(12-24(23)32-21)25-28-29-26(33-25)34-16-17-6-8-18(9-7-17)22-5-3-2-4-20(22)13-27/h2-12,21H,14-16H2,1H3/t21-/m0/s1
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK1epsilon by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50389082
PNG
(CHEMBL2064536)
Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C21H14N4OS/c22-13-18-3-1-2-4-19(18)16-7-5-15(6-8-16)14-27-21-25-24-20(26-21)17-9-11-23-12-10-17/h1-12H,14H2
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AurKA by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50389078
PNG
(CHEMBL2064539)
Show SMILES COC[C@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|
Show InChI InChI=1S/C26H21N3O4S/c1-30-14-21-15-31-23-11-10-19(12-24(23)32-21)25-28-29-26(33-25)34-16-17-6-8-18(9-7-17)22-5-3-2-4-20(22)13-27/h2-12,21H,14-16H2,1H3/t21-/m0/s1
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p35 by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50389087
PNG
(CHEMBL2064533)
Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C23H15N3O3S/c24-12-18-3-1-2-4-19(18)16-7-5-15(6-8-16)13-30-23-26-25-22(29-23)17-9-10-20-21(11-17)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


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50389081
PNG
(CHEMBL2064534)
Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C24H17N3O3S/c25-14-19-3-1-2-4-20(19)17-7-5-16(6-8-17)15-31-24-27-26-23(30-24)18-9-10-21-22(13-18)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 AurKA by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50389085
PNG
(CHEMBL2064520)
Show SMILES COC(=O)c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C19H16N2O5S/c1-23-18(22)13-4-2-12(3-5-13)11-27-19-21-20-17(26-19)14-6-7-15-16(10-14)25-9-8-24-15/h2-7,10H,8-9,11H2,1H3
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK1epsilon by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50389083
PNG
(CHEMBL2064535)
Show SMILES Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCCOc4c3)cc2)c(c1)C#N
Show InChI InChI=1S/C24H16FN3O3S/c25-19-6-7-20(18(11-19)13-26)16-3-1-15(2-4-16)14-32-24-28-27-23(31-24)17-5-8-21-22(12-17)30-10-9-29-21/h1-8,11-12H,9-10,14H2
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK1epsilon by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50389082
PNG
(CHEMBL2064536)
Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C21H14N4OS/c22-13-18-3-1-2-4-19(18)16-7-5-15(6-8-16)14-27-21-25-24-20(26-21)17-9-11-23-12-10-17/h1-12H,14H2
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK1epsilon by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50389083
PNG
(CHEMBL2064535)
Show SMILES Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCCOc4c3)cc2)c(c1)C#N
Show InChI InChI=1S/C24H16FN3O3S/c25-19-6-7-20(18(11-19)13-26)16-3-1-15(2-4-16)14-32-24-28-27-23(31-24)17-5-8-21-22(12-17)30-10-9-29-21/h1-8,11-12H,9-10,14H2
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50389084
PNG
(CHEMBL2064538)
Show SMILES COC[C@@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|
Show InChI InChI=1S/C26H21N3O4S/c1-30-14-21-15-31-23-11-10-19(12-24(23)32-21)25-28-29-26(33-25)34-16-17-6-8-18(9-7-17)22-5-3-2-4-20(22)13-27/h2-12,21H,14-16H2,1H3/t21-/m1/s1
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50389083
PNG
(CHEMBL2064535)
Show SMILES Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCCOc4c3)cc2)c(c1)C#N
Show InChI InChI=1S/C24H16FN3O3S/c25-19-6-7-20(18(11-19)13-26)16-3-1-15(2-4-16)14-32-24-28-27-23(31-24)17-5-8-21-22(12-17)30-10-9-29-21/h1-8,11-12H,9-10,14H2
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p35 by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50389087
PNG
(CHEMBL2064533)
Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C23H15N3O3S/c24-12-18-3-1-2-4-19(18)16-7-5-15(6-8-16)13-30-23-26-25-22(29-23)17-9-10-20-21(11-17)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 CDK5/p35 by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50389079
PNG
(CHEMBL2064532)
Show SMILES Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCOc4c3)cc2)c(c1)C#N
Show InChI InChI=1S/C23H14FN3O3S/c24-18-6-7-19(17(9-18)11-25)15-3-1-14(2-4-15)12-31-23-27-26-22(30-23)16-5-8-20-21(10-16)29-13-28-20/h1-10H,12-13H2
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p35 by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50389086
PNG
(CHEMBL2064531)
Show SMILES C(Sc1nnc(o1)-c1ccc2OCOc2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H16N2O3S/c1-2-4-16(5-3-1)17-8-6-15(7-9-17)13-28-22-24-23-21(27-22)18-10-11-19-20(12-18)26-14-25-19/h1-12H,13-14H2
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50389087
PNG
(CHEMBL2064533)
Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C23H15N3O3S/c24-12-18-3-1-2-4-19(18)16-7-5-15(6-8-16)13-30-23-26-25-22(29-23)17-9-10-20-21(11-17)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 CK1epsilon by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50389082
PNG
(CHEMBL2064536)
Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C21H14N4OS/c22-13-18-3-1-2-4-19(18)16-7-5-15(6-8-16)14-27-21-25-24-20(26-21)17-9-11-23-12-10-17/h1-12H,14H2
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50389078
PNG
(CHEMBL2064539)
Show SMILES COC[C@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|
Show InChI InChI=1S/C26H21N3O4S/c1-30-14-21-15-31-23-11-10-19(12-24(23)32-21)25-28-29-26(33-25)34-16-17-6-8-18(9-7-17)22-5-3-2-4-20(22)13-27/h2-12,21H,14-16H2,1H3/t21-/m0/s1
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AurKA by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50389080
PNG
(CHEMBL2064515)
Show SMILES N#Cc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C23H15N3O3S/c24-12-15-1-5-17(6-2-15)18-7-3-16(4-8-18)13-30-23-26-25-22(29-23)19-9-10-20-21(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 CDK5/p35 by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50389082
PNG
(CHEMBL2064536)
Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C21H14N4OS/c22-13-18-3-1-2-4-19(18)16-7-5-15(6-8-16)14-27-21-25-24-20(26-21)17-9-11-23-12-10-17/h1-12H,14H2
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p35 by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50389081
PNG
(CHEMBL2064534)
Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C24H17N3O3S/c25-14-19-3-1-2-4-20(19)17-7-5-16(6-8-17)15-31-24-27-26-23(30-24)18-9-10-21-22(13-18)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


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50389086
PNG
(CHEMBL2064531)
Show SMILES C(Sc1nnc(o1)-c1ccc2OCOc2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H16N2O3S/c1-2-4-16(5-3-1)17-8-6-15(7-9-17)13-28-22-24-23-21(27-22)18-10-11-19-20(12-18)26-14-25-19/h1-12H,13-14H2
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p35 by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50389085
PNG
(CHEMBL2064520)
Show SMILES COC(=O)c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C19H16N2O5S/c1-23-18(22)13-4-2-12(3-5-13)11-27-19-21-20-17(26-19)14-6-7-15-16(10-14)25-9-8-24-15/h2-7,10H,8-9,11H2,1H3
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50389078
PNG
(CHEMBL2064539)
Show SMILES COC[C@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|
Show InChI InChI=1S/C26H21N3O4S/c1-30-14-21-15-31-23-11-10-19(12-24(23)32-21)25-28-29-26(33-25)34-16-17-6-8-18(9-7-17)22-5-3-2-4-20(22)13-27/h2-12,21H,14-16H2,1H3/t21-/m0/s1
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p35 by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50389078
PNG
(CHEMBL2064539)
Show SMILES COC[C@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|
Show InChI InChI=1S/C26H21N3O4S/c1-30-14-21-15-31-23-11-10-19(12-24(23)32-21)25-28-29-26(33-25)34-16-17-6-8-18(9-7-17)22-5-3-2-4-20(22)13-27/h2-12,21H,14-16H2,1H3/t21-/m0/s1
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50389081
PNG
(CHEMBL2064534)
Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C24H17N3O3S/c25-14-19-3-1-2-4-20(19)17-7-5-16(6-8-17)15-31-24-27-26-23(30-24)18-9-10-21-22(13-18)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 PKCalpha by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50389084
PNG
(CHEMBL2064538)
Show SMILES COC[C@@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|
Show InChI InChI=1S/C26H21N3O4S/c1-30-14-21-15-31-23-11-10-19(12-24(23)32-21)25-28-29-26(33-25)34-16-17-6-8-18(9-7-17)22-5-3-2-4-20(22)13-27/h2-12,21H,14-16H2,1H3/t21-/m1/s1
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AurKA by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50389085
PNG
(CHEMBL2064520)
Show SMILES COC(=O)c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C19H16N2O5S/c1-23-18(22)13-4-2-12(3-5-13)11-27-19-21-20-17(26-19)14-6-7-15-16(10-14)25-9-8-24-15/h2-7,10H,8-9,11H2,1H3
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AurKA by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50389078
PNG
(CHEMBL2064539)
Show SMILES COC[C@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|
Show InChI InChI=1S/C26H21N3O4S/c1-30-14-21-15-31-23-11-10-19(12-24(23)32-21)25-28-29-26(33-25)34-16-17-6-8-18(9-7-17)22-5-3-2-4-20(22)13-27/h2-12,21H,14-16H2,1H3/t21-/m0/s1
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK1epsilon by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50389085
PNG
(CHEMBL2064520)
Show SMILES COC(=O)c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C19H16N2O5S/c1-23-18(22)13-4-2-12(3-5-13)11-27-19-21-20-17(26-19)14-6-7-15-16(10-14)25-9-8-24-15/h2-7,10H,8-9,11H2,1H3
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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p35 by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%