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PubMed code 24900428

Compile data set for download or QSAR
Found 67 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))
BDBM50400752
PNG
(CHEMBL2203552)
Show SMILES COc1cnc(nc1-c1cc2c(CCNC2=O)[nH]1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C21H17N5O2/c1-28-18-11-24-20(13-8-12-4-2-3-5-15(12)23-10-13)26-19(18)17-9-14-16(25-17)6-7-22-21(14)27/h2-5,8-11,25H,6-7H2,1H3,(H,22,27)
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n/an/a 1.49n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens)
BDBM50400756
PNG
(CHEMBL2203562)
Show SMILES COc1cnc(COc2ccc(F)cc2F)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H17F2N3O3/c1-27-19-9-24-12(10-28-18-3-2-11(21)6-15(18)22)7-13(19)17-8-14-16(25-17)4-5-23-20(14)26/h2-3,6-9,25H,4-5,10H2,1H3,(H,23,26)
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma 2 using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 32 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens)
BDBM50400754
PNG
(CHEMBL2203564)
Show SMILES COc1cnc(COc2ccc(F)cc2C)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C21H20FN3O3/c1-12-7-13(22)3-4-19(12)28-11-14-8-15(20(27-2)10-24-14)18-9-16-17(25-18)5-6-23-21(16)26/h3-4,7-10,25H,5-6,11H2,1-2H3,(H,23,26)
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma 2 using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 32 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens)
BDBM50400753
PNG
(CHEMBL2203565)
Show SMILES COc1cnc(COc2cc(F)c(F)cc2C)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C21H19F2N3O3/c1-11-5-15(22)16(23)8-19(11)29-10-12-6-13(20(28-2)9-25-12)18-7-14-17(26-18)3-4-24-21(14)27/h5-9,26H,3-4,10H2,1-2H3,(H,24,27)
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma 2 using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 32 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens)
BDBM50400757
PNG
(CHEMBL2203561)
Show SMILES COc1cnc(COc2ccc(F)cc2)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H18FN3O3/c1-26-19-10-23-13(11-27-14-4-2-12(21)3-5-14)8-15(19)18-9-16-17(24-18)6-7-22-20(16)25/h2-5,8-10,24H,6-7,11H2,1H3,(H,22,25)
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma 2 using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 32 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens)
BDBM50400755
PNG
(CHEMBL2203563)
Show SMILES COc1cnc(COc2ccc(F)c(F)c2)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H17F2N3O3/c1-27-19-9-24-11(10-28-12-2-3-15(21)16(22)7-12)6-13(19)18-8-14-17(25-18)4-5-23-20(14)26/h2-3,6-9,25H,4-5,10H2,1H3,(H,23,26)
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma 2 using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 32 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I


(Homo sapiens)
BDBM50400748
PNG
(CHEMBL2203556)
Show SMILES COc1cnc(Nc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H17N5O2/c1-25-15-10-20-18(21-11-5-3-2-4-6-11)23-16(15)14-9-12-13(22-14)7-8-19-17(12)24/h2-6,9-10,22H,7-8H2,1H3,(H,19,24)(H,20,21,23)
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma 2 using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 32 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens)
BDBM50400752
PNG
(CHEMBL2203552)
Show SMILES COc1cnc(nc1-c1cc2c(CCNC2=O)[nH]1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C21H17N5O2/c1-28-18-11-24-20(13-8-12-4-2-3-5-15(12)23-10-13)26-19(18)17-9-14-16(25-17)6-7-22-21(14)27/h2-5,8-11,25H,6-7H2,1H3,(H,22,27)
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma 2 using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 32 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform alpha (CK1 Alpha)


(Homo sapiens (human))
BDBM50400752
PNG
(CHEMBL2203552)
Show SMILES COc1cnc(nc1-c1cc2c(CCNC2=O)[nH]1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C21H17N5O2/c1-28-18-11-24-20(13-8-12-4-2-3-5-15(12)23-10-13)26-19(18)17-9-14-16(25-17)6-7-22-21(14)27/h2-5,8-11,25H,6-7H2,1H3,(H,22,27)
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-alpha using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 8 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50400751
PNG
(CHEMBL2203553)
Show SMILES COc1cnc(\C=C\c2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H17FN4O2/c1-27-17-11-23-18(7-4-12-2-5-13(21)6-3-12)25-19(17)16-10-14-15(24-16)8-9-22-20(14)26/h2-7,10-11,24H,8-9H2,1H3,(H,22,26)/b7-4+
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-delta using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 11 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50400748
PNG
(CHEMBL2203556)
Show SMILES COc1cnc(Nc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H17N5O2/c1-25-15-10-20-18(21-11-5-3-2-4-6-11)23-16(15)14-9-12-13(22-14)7-8-19-17(12)24/h2-6,9-10,22H,7-8H2,1H3,(H,19,24)(H,20,21,23)
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens)
BDBM50400750
PNG
(CHEMBL2203554)
Show SMILES COc1cnc(CCc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H19FN4O2/c1-27-17-11-23-18(7-4-12-2-5-13(21)6-3-12)25-19(17)16-10-14-15(24-16)8-9-22-20(14)26/h2-3,5-6,10-11,24H,4,7-9H2,1H3,(H,22,26)
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n/an/a 17n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma 2 using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 32 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 Alpha)


(Homo sapiens (human))
BDBM50400749
PNG
(CHEMBL2203555)
Show SMILES COc1cnc(NCc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C19H19N5O2/c1-26-16-11-22-19(21-10-12-5-3-2-4-6-12)24-17(16)15-9-13-14(23-15)7-8-20-18(13)25/h2-6,9,11,23H,7-8,10H2,1H3,(H,20,25)(H,21,22,24)
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-alpha using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 8 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50400757
PNG
(CHEMBL2203561)
Show SMILES COc1cnc(COc2ccc(F)cc2)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H18FN3O3/c1-26-19-10-23-13(11-27-14-4-2-12(21)3-5-14)8-15(19)18-9-16-17(24-18)6-7-22-20(16)25/h2-5,8-10,24H,6-7,11H2,1H3,(H,22,25)
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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-delta using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 11 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50400748
PNG
(CHEMBL2203556)
Show SMILES COc1cnc(Nc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H17N5O2/c1-25-15-10-20-18(21-11-5-3-2-4-6-11)23-16(15)14-9-12-13(22-14)7-8-19-17(12)24/h2-6,9-10,22H,7-8H2,1H3,(H,19,24)(H,20,21,23)
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-delta using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 11 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50400749
PNG
(CHEMBL2203555)
Show SMILES COc1cnc(NCc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C19H19N5O2/c1-26-16-11-22-19(21-10-12-5-3-2-4-6-12)24-17(16)15-9-13-14(23-15)7-8-20-18(13)25/h2-6,9,11,23H,7-8,10H2,1H3,(H,20,25)(H,21,22,24)
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-delta using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 11 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens)
BDBM50400745
PNG
(CHEMBL2203559)
Show SMILES COc1cnc(COc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C19H17FN4O3/c1-26-16-9-22-17(10-27-12-4-2-11(20)3-5-12)24-18(16)15-8-13-14(23-15)6-7-21-19(13)25/h2-5,8-9,23H,6-7,10H2,1H3,(H,21,25)
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n/an/a 24n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma 2 using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 32 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens)
BDBM50400744
PNG
(CHEMBL2203560)
Show SMILES COc1cnc(CCc2ccc(F)cc2)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C21H20FN3O2/c1-27-20-12-24-15(7-4-13-2-5-14(22)6-3-13)10-16(20)19-11-17-18(25-19)8-9-23-21(17)26/h2-3,5-6,10-12,25H,4,7-9H2,1H3,(H,23,26)
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n/an/a 26n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma 2 using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 32 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 Alpha)


(Homo sapiens (human))
BDBM50400751
PNG
(CHEMBL2203553)
Show SMILES COc1cnc(\C=C\c2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H17FN4O2/c1-27-17-11-23-18(7-4-12-2-5-13(21)6-3-12)25-19(17)16-10-14-15(24-16)8-9-22-20(14)26/h2-7,10-11,24H,8-9H2,1H3,(H,22,26)/b7-4+
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n/an/a 33n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-alpha using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 8 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens)
BDBM50400749
PNG
(CHEMBL2203555)
Show SMILES COc1cnc(NCc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C19H19N5O2/c1-26-16-11-22-19(21-10-12-5-3-2-4-6-12)24-17(16)15-9-13-14(23-15)7-8-20-18(13)25/h2-6,9,11,23H,7-8,10H2,1H3,(H,20,25)(H,21,22,24)
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n/an/a 33n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma 2 using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 32 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50400756
PNG
(CHEMBL2203562)
Show SMILES COc1cnc(COc2ccc(F)cc2F)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H17F2N3O3/c1-27-19-9-24-12(10-28-18-3-2-11(21)6-15(18)22)7-13(19)17-8-14-16(25-17)4-5-23-20(14)26/h2-3,6-9,25H,4-5,10H2,1H3,(H,23,26)
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n/an/a 36n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-delta using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 11 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50400755
PNG
(CHEMBL2203563)
Show SMILES COc1cnc(COc2ccc(F)c(F)c2)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H17F2N3O3/c1-27-19-9-24-11(10-28-12-2-3-15(21)16(22)7-12)6-13(19)18-8-14-17(25-18)4-5-23-20(14)26/h2-3,6-9,25H,4-5,10H2,1H3,(H,23,26)
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-delta using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 11 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I


(Homo sapiens)
BDBM50400753
PNG
(CHEMBL2203565)
Show SMILES COc1cnc(COc2cc(F)c(F)cc2C)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C21H19F2N3O3/c1-11-5-15(22)16(23)8-19(11)29-10-12-6-13(20(28-2)9-25-12)18-7-14-17(26-18)3-4-24-21(14)27/h5-9,26H,3-4,10H2,1-2H3,(H,24,27)
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n/an/a 44n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma2 in human RKO cell assessed as inhibition of Wnt3a-induced Wnt signaling treated 1 hr prior to Wnt3a ligand addition measured...


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens)
BDBM50400751
PNG
(CHEMBL2203553)
Show SMILES COc1cnc(\C=C\c2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H17FN4O2/c1-27-17-11-23-18(7-4-12-2-5-13(21)6-3-12)25-19(17)16-10-14-15(24-16)8-9-22-20(14)26/h2-7,10-11,24H,8-9H2,1H3,(H,22,26)/b7-4+
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma 2 using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 32 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 Alpha)


(Homo sapiens (human))
BDBM50400748
PNG
(CHEMBL2203556)
Show SMILES COc1cnc(Nc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H17N5O2/c1-25-15-10-20-18(21-11-5-3-2-4-6-11)23-16(15)14-9-12-13(22-14)7-8-19-17(12)24/h2-6,9-10,22H,7-8H2,1H3,(H,19,24)(H,20,21,23)
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n/an/a 54n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-alpha using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 8 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50400745
PNG
(CHEMBL2203559)
Show SMILES COc1cnc(COc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C19H17FN4O3/c1-26-16-9-22-17(10-27-12-4-2-11(20)3-5-12)24-18(16)15-8-13-14(23-15)6-7-21-19(13)25/h2-5,8-9,23H,6-7,10H2,1H3,(H,21,25)
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n/an/a 58n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-delta using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 11 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50400754
PNG
(CHEMBL2203564)
Show SMILES COc1cnc(COc2ccc(F)cc2C)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C21H20FN3O3/c1-12-7-13(22)3-4-19(12)28-11-14-8-15(20(27-2)10-24-14)18-9-16-17(25-18)5-6-23-21(16)26/h3-4,7-10,25H,5-6,11H2,1-2H3,(H,23,26)
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n/an/a 59n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-delta using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 11 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50400752
PNG
(CHEMBL2203552)
Show SMILES COc1cnc(nc1-c1cc2c(CCNC2=O)[nH]1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C21H17N5O2/c1-28-18-11-24-20(13-8-12-4-2-3-5-15(12)23-10-13)26-19(18)17-9-14-16(25-17)6-7-22-21(14)27/h2-5,8-11,25H,6-7H2,1H3,(H,22,27)
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n/an/a 68n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-delta using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 11 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens)
BDBM50400747
PNG
(CHEMBL2203557)
Show SMILES COc1cnc(OCc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C19H17FN4O3/c1-26-16-9-22-19(27-10-11-2-4-12(20)5-3-11)24-17(16)15-8-13-14(23-15)6-7-21-18(13)25/h2-5,8-9,23H,6-7,10H2,1H3,(H,21,25)
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n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma 2 using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 32 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens)
BDBM50400753
PNG
(CHEMBL2203565)
Show SMILES COc1cnc(COc2cc(F)c(F)cc2C)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C21H19F2N3O3/c1-11-5-15(22)16(23)8-19(11)29-10-12-6-13(20(28-2)9-25-12)18-7-14-17(26-18)3-4-24-21(14)27/h5-9,26H,3-4,10H2,1-2H3,(H,24,27)
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n/an/a 87n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CK1-gamma2 in HEK293 cells assessed as inhibition of doxcycline-induced LRP6 phosphorylation after 2 hrs by electrochemiluminesce...


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 Alpha)


(Homo sapiens (human))
BDBM50400747
PNG
(CHEMBL2203557)
Show SMILES COc1cnc(OCc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C19H17FN4O3/c1-26-16-9-22-19(27-10-11-2-4-12(20)5-3-11)24-17(16)15-8-13-14(23-15)6-7-21-18(13)25/h2-5,8-9,23H,6-7,10H2,1H3,(H,21,25)
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n/an/a 95n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-alpha using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 8 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50400749
PNG
(CHEMBL2203555)
Show SMILES COc1cnc(NCc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C19H19N5O2/c1-26-16-11-22-19(21-10-12-5-3-2-4-6-12)24-17(16)15-9-13-14(23-15)7-8-20-18(13)25/h2-6,9,11,23H,7-8,10H2,1H3,(H,20,25)(H,21,22,24)
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n/an/a 98n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50400750
PNG
(CHEMBL2203554)
Show SMILES COc1cnc(CCc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H19FN4O2/c1-27-17-11-23-18(7-4-12-2-5-13(21)6-3-12)25-19(17)16-10-14-15(24-16)8-9-22-20(14)26/h2-3,5-6,10-11,24H,4,7-9H2,1H3,(H,22,26)
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n/an/a 112n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-delta using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 11 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50400753
PNG
(CHEMBL2203565)
Show SMILES COc1cnc(COc2cc(F)c(F)cc2C)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C21H19F2N3O3/c1-11-5-15(22)16(23)8-19(11)29-10-12-6-13(20(28-2)9-25-12)18-7-14-17(26-18)3-4-24-21(14)27/h5-9,26H,3-4,10H2,1-2H3,(H,24,27)
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n/an/a 114n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-delta using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 11 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 Alpha)


(Homo sapiens (human))
BDBM50400745
PNG
(CHEMBL2203559)
Show SMILES COc1cnc(COc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C19H17FN4O3/c1-26-16-9-22-17(10-27-12-4-2-11(20)3-5-12)24-18(16)15-8-13-14(23-15)6-7-21-19(13)25/h2-5,8-9,23H,6-7,10H2,1H3,(H,21,25)
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n/an/a 146n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-alpha using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 8 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50400747
PNG
(CHEMBL2203557)
Show SMILES COc1cnc(OCc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C19H17FN4O3/c1-26-16-9-22-19(27-10-11-2-4-12(20)5-3-11)24-17(16)15-8-13-14(23-15)6-7-21-18(13)25/h2-5,8-9,23H,6-7,10H2,1H3,(H,21,25)
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n/an/a 168n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-delta using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 11 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 Alpha)


(Homo sapiens (human))
BDBM50400757
PNG
(CHEMBL2203561)
Show SMILES COc1cnc(COc2ccc(F)cc2)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H18FN3O3/c1-26-19-10-23-13(11-27-14-4-2-12(21)3-5-14)8-15(19)18-9-16-17(24-18)6-7-22-20(16)25/h2-5,8-10,24H,6-7,11H2,1H3,(H,22,25)
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n/an/a 174n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-alpha using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 8 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens)
BDBM50400755
PNG
(CHEMBL2203563)
Show SMILES COc1cnc(COc2ccc(F)c(F)c2)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H17F2N3O3/c1-27-19-9-24-11(10-28-12-2-3-15(21)16(22)7-12)6-13(19)18-8-14-17(25-18)4-5-23-20(14)26/h2-3,6-9,25H,4-5,10H2,1H3,(H,23,26)
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CK1-gamma2 in HEK293 cells assessed as inhibition of doxcycline-induced LRP6 phosphorylation after 2 hrs by electrochemiluminesce...


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50400744
PNG
(CHEMBL2203560)
Show SMILES COc1cnc(CCc2ccc(F)cc2)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C21H20FN3O2/c1-27-20-12-24-15(7-4-13-2-5-14(22)6-3-13)10-16(20)19-11-17-18(25-19)8-9-23-21(17)26/h2-3,5-6,10-12,25H,4,7-9H2,1H3,(H,23,26)
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n/an/a 202n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-delta using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 11 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 Alpha)


(Homo sapiens (human))
BDBM50400756
PNG
(CHEMBL2203562)
Show SMILES COc1cnc(COc2ccc(F)cc2F)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H17F2N3O3/c1-27-19-9-24-12(10-28-18-3-2-11(21)6-15(18)22)7-13(19)17-8-14-16(25-17)4-5-23-20(14)26/h2-3,6-9,25H,4-5,10H2,1H3,(H,23,26)
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n/an/a 225n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-alpha using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 8 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 Alpha)


(Homo sapiens (human))
BDBM50400755
PNG
(CHEMBL2203563)
Show SMILES COc1cnc(COc2ccc(F)c(F)c2)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H17F2N3O3/c1-27-19-9-24-11(10-28-12-2-3-15(21)16(22)7-12)6-13(19)18-8-14-17(25-18)4-5-23-20(14)26/h2-3,6-9,25H,4-5,10H2,1H3,(H,23,26)
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n/an/a 251n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-alpha using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 8 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens)
BDBM50400755
PNG
(CHEMBL2203563)
Show SMILES COc1cnc(COc2ccc(F)c(F)c2)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H17F2N3O3/c1-27-19-9-24-11(10-28-12-2-3-15(21)16(22)7-12)6-13(19)18-8-14-17(25-18)4-5-23-20(14)26/h2-3,6-9,25H,4-5,10H2,1H3,(H,23,26)
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n/an/a 254n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma2 in human RKO cell assessed as inhibition of Wnt3a-induced Wnt signaling treated 1 hr prior to Wnt3a ligand addition measured...


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I


(Homo sapiens)
BDBM50400752
PNG
(CHEMBL2203552)
Show SMILES COc1cnc(nc1-c1cc2c(CCNC2=O)[nH]1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C21H17N5O2/c1-28-18-11-24-20(13-8-12-4-2-3-5-15(12)23-10-13)26-19(18)17-9-14-16(25-17)6-7-22-21(14)27/h2-5,8-11,25H,6-7H2,1H3,(H,22,27)
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n/an/a 348n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CK1-gamma2 in HEK293 cells assessed as inhibition of doxcycline-induced LRP6 phosphorylation after 2 hrs by electrochemiluminesce...


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform alpha (CK1 Alpha)


(Homo sapiens (human))
BDBM50400753
PNG
(CHEMBL2203565)
Show SMILES COc1cnc(COc2cc(F)c(F)cc2C)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C21H19F2N3O3/c1-11-5-15(22)16(23)8-19(11)29-10-12-6-13(20(28-2)9-25-12)18-7-14-17(26-18)3-4-24-21(14)27/h5-9,26H,3-4,10H2,1-2H3,(H,24,27)
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n/an/a 383n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-alpha using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 8 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens)
BDBM50400756
PNG
(CHEMBL2203562)
Show SMILES COc1cnc(COc2ccc(F)cc2F)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H17F2N3O3/c1-27-19-9-24-12(10-28-18-3-2-11(21)6-15(18)22)7-13(19)17-8-14-16(25-17)4-5-23-20(14)26/h2-3,6-9,25H,4-5,10H2,1H3,(H,23,26)
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n/an/a 394n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma2 in human RKO cell assessed as inhibition of Wnt3a-induced Wnt signaling treated 1 hr prior to Wnt3a ligand addition measured...


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 Alpha)


(Homo sapiens (human))
BDBM50400754
PNG
(CHEMBL2203564)
Show SMILES COc1cnc(COc2ccc(F)cc2C)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C21H20FN3O3/c1-12-7-13(22)3-4-19(12)28-11-14-8-15(20(27-2)10-24-14)18-9-16-17(25-18)5-6-23-21(16)26/h3-4,7-10,25H,5-6,11H2,1-2H3,(H,23,26)
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n/an/a 442n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-alpha using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 8 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens)
BDBM50400754
PNG
(CHEMBL2203564)
Show SMILES COc1cnc(COc2ccc(F)cc2C)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C21H20FN3O3/c1-12-7-13(22)3-4-19(12)28-11-14-8-15(20(27-2)10-24-14)18-9-16-17(25-18)5-6-23-21(16)26/h3-4,7-10,25H,5-6,11H2,1-2H3,(H,23,26)
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n/an/a 537n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma2 in human RKO cell assessed as inhibition of Wnt3a-induced Wnt signaling treated 1 hr prior to Wnt3a ligand addition measured...


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 Alpha)


(Homo sapiens (human))
BDBM50400750
PNG
(CHEMBL2203554)
Show SMILES COc1cnc(CCc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H19FN4O2/c1-27-17-11-23-18(7-4-12-2-5-13(21)6-3-12)25-19(17)16-10-14-15(24-16)8-9-22-20(14)26/h2-3,5-6,10-11,24H,4,7-9H2,1H3,(H,22,26)
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n/an/a 568n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-alpha using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 8 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens)
BDBM50400757
PNG
(CHEMBL2203561)
Show SMILES COc1cnc(COc2ccc(F)cc2)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H18FN3O3/c1-26-19-10-23-13(11-27-14-4-2-12(21)3-5-14)8-15(19)18-9-16-17(24-18)6-7-22-20(16)25/h2-5,8-10,24H,6-7,11H2,1H3,(H,22,25)
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n/an/a 584n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma2 in human RKO cell assessed as inhibition of Wnt3a-induced Wnt signaling treated 1 hr prior to Wnt3a ligand addition measured...


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 Alpha)


(Homo sapiens (human))
BDBM50400744
PNG
(CHEMBL2203560)
Show SMILES COc1cnc(CCc2ccc(F)cc2)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C21H20FN3O2/c1-27-20-12-24-15(7-4-13-2-5-14(22)6-3-13)10-16(20)19-11-17-18(25-19)8-9-23-21(17)26/h2-3,5-6,10-12,25H,4,7-9H2,1H3,(H,23,26)
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n/an/a 736n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-alpha using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 8 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens)
BDBM50400744
PNG
(CHEMBL2203560)
Show SMILES COc1cnc(CCc2ccc(F)cc2)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C21H20FN3O2/c1-27-20-12-24-15(7-4-13-2-5-14(22)6-3-13)10-16(20)19-11-17-18(25-19)8-9-23-21(17)26/h2-3,5-6,10-12,25H,4,7-9H2,1H3,(H,23,26)
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n/an/a 840n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CK1-gamma2 in HEK293 cells assessed as inhibition of doxcycline-induced LRP6 phosphorylation after 2 hrs by electrochemiluminesce...


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens)
BDBM50400746
PNG
(CHEMBL2203558)
Show SMILES COc1cnc(Oc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H16N4O3/c1-24-15-10-20-18(25-11-5-3-2-4-6-11)22-16(15)14-9-12-13(21-14)7-8-19-17(12)23/h2-6,9-10,21H,7-8H2,1H3,(H,19,23)
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n/an/a 853n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma 2 using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 32 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50400745
PNG
(CHEMBL2203559)
Show SMILES COc1cnc(COc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C19H17FN4O3/c1-26-16-9-22-17(10-27-12-4-2-11(20)3-5-12)24-18(16)15-8-13-14(23-15)6-7-21-19(13)25/h2-5,8-9,23H,6-7,10H2,1H3,(H,21,25)
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n/an/a 1.12E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50400751
PNG
(CHEMBL2203553)
Show SMILES COc1cnc(\C=C\c2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H17FN4O2/c1-27-17-11-23-18(7-4-12-2-5-13(21)6-3-12)25-19(17)16-10-14-15(24-16)8-9-22-20(14)26/h2-7,10-11,24H,8-9H2,1H3,(H,22,26)/b7-4+
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n/an/a 1.22E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens)
BDBM50400744
PNG
(CHEMBL2203560)
Show SMILES COc1cnc(CCc2ccc(F)cc2)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C21H20FN3O2/c1-27-20-12-24-15(7-4-13-2-5-14(22)6-3-13)10-16(20)19-11-17-18(25-19)8-9-23-21(17)26/h2-3,5-6,10-12,25H,4,7-9H2,1H3,(H,23,26)
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n/an/a 1.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma2 in human RKO cell assessed as inhibition of Wnt3a-induced Wnt signaling treated 1 hr prior to Wnt3a ligand addition measured...


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens)
BDBM50400752
PNG
(CHEMBL2203552)
Show SMILES COc1cnc(nc1-c1cc2c(CCNC2=O)[nH]1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C21H17N5O2/c1-28-18-11-24-20(13-8-12-4-2-3-5-15(12)23-10-13)26-19(18)17-9-14-16(25-17)6-7-22-21(14)27/h2-5,8-11,25H,6-7H2,1H3,(H,22,27)
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n/an/a>3.33E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma2 in human RKO cell assessed as inhibition of Wnt3a-induced Wnt signaling treated 1 hr prior to Wnt3a ligand addition measured...


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50400756
PNG
(CHEMBL2203562)
Show SMILES COc1cnc(COc2ccc(F)cc2F)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H17F2N3O3/c1-27-19-9-24-12(10-28-18-3-2-11(21)6-15(18)22)7-13(19)17-8-14-16(25-17)4-5-23-20(14)26/h2-3,6-9,25H,4-5,10H2,1H3,(H,23,26)
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50400746
PNG
(CHEMBL2203558)
Show SMILES COc1cnc(Oc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H16N4O3/c1-24-15-10-20-18(25-11-5-3-2-4-6-11)22-16(15)14-9-12-13(21-14)7-8-19-17(12)23/h2-6,9-10,21H,7-8H2,1H3,(H,19,23)
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n/an/a 4.86E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-delta using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 11 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50400757
PNG
(CHEMBL2203561)
Show SMILES COc1cnc(COc2ccc(F)cc2)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H18FN3O3/c1-26-19-10-23-13(11-27-14-4-2-12(21)3-5-14)8-15(19)18-9-16-17(24-18)6-7-22-20(16)25/h2-5,8-10,24H,6-7,11H2,1H3,(H,22,25)
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n/an/a 7.83E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50400755
PNG
(CHEMBL2203563)
Show SMILES COc1cnc(COc2ccc(F)c(F)c2)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H17F2N3O3/c1-27-19-9-24-11(10-28-12-2-3-15(21)16(22)7-12)6-13(19)18-8-14-17(25-18)4-5-23-20(14)26/h2-3,6-9,25H,4-5,10H2,1H3,(H,23,26)
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n/an/a 1.08E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 Alpha)


(Homo sapiens (human))
BDBM50400746
PNG
(CHEMBL2203558)
Show SMILES COc1cnc(Oc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H16N4O3/c1-24-15-10-20-18(25-11-5-3-2-4-6-11)22-16(15)14-9-12-13(21-14)7-8-19-17(12)23/h2-6,9-10,21H,7-8H2,1H3,(H,19,23)
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n/an/a 1.85E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-alpha using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 8 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50400750
PNG
(CHEMBL2203554)
Show SMILES COc1cnc(CCc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H19FN4O2/c1-27-17-11-23-18(7-4-12-2-5-13(21)6-3-12)25-19(17)16-10-14-15(24-16)8-9-22-20(14)26/h2-3,5-6,10-11,24H,4,7-9H2,1H3,(H,22,26)
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n/an/a 2.56E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50400747
PNG
(CHEMBL2203557)
Show SMILES COc1cnc(OCc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C19H17FN4O3/c1-26-16-9-22-19(27-10-11-2-4-12(20)5-3-11)24-17(16)15-8-13-14(23-15)6-7-21-18(13)25/h2-5,8-9,23H,6-7,10H2,1H3,(H,21,25)
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n/an/a>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50400753
PNG
(CHEMBL2203565)
Show SMILES COc1cnc(COc2cc(F)c(F)cc2C)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C21H19F2N3O3/c1-11-5-15(22)16(23)8-19(11)29-10-12-6-13(20(28-2)9-25-12)18-7-14-17(26-18)3-4-24-21(14)27/h5-9,26H,3-4,10H2,1-2H3,(H,24,27)
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n/an/a 3.81E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50400754
PNG
(CHEMBL2203564)
Show SMILES COc1cnc(COc2ccc(F)cc2C)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C21H20FN3O3/c1-12-7-13(22)3-4-19(12)28-11-14-8-15(20(27-2)10-24-14)18-9-16-17(25-18)5-6-23-21(16)26/h3-4,7-10,25H,5-6,11H2,1-2H3,(H,23,26)
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n/an/a 5.33E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50400746
PNG
(CHEMBL2203558)
Show SMILES COc1cnc(Oc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H16N4O3/c1-24-15-10-20-18(25-11-5-3-2-4-6-11)22-16(15)14-9-12-13(21-14)7-8-19-17(12)23/h2-6,9-10,21H,7-8H2,1H3,(H,19,23)
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n/an/a>6.25E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50400744
PNG
(CHEMBL2203560)
Show SMILES COc1cnc(CCc2ccc(F)cc2)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C21H20FN3O2/c1-27-20-12-24-15(7-4-13-2-5-14(22)6-3-13)10-16(20)19-11-17-18(25-19)8-9-23-21(17)26/h2-3,5-6,10-12,25H,4,7-9H2,1H3,(H,23,26)
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n/an/a>6.25E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%