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Compile Data Set for Download or QSAR

Found 357 hits Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform alpha'   
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
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50011236
PNG
(CHEMBL344314 | Isoquinoline-5-sulfonic acid (2-ami...)
Show SMILES NCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C11H13N3O2S/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11/h1-4,6,8,14H,5,7,12H2
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n/an/a 1.10E+5n/an/an/an/a7.430



Nagoya University School of Medicine



Assay Description
Casein kinase activities were determined under the conditions as described by Huang et al (1982).


J Biol Chem 264: 4924-7 (1989)


BindingDB Entry DOI: 10.7270/Q2K072VK
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM92673
PNG
(Isoquinolinesulfonamide, CKI-6)
Show SMILES NCCNS(=O)(=O)c1cccc2ccncc12
Show InChI InChI=1S/C11H13N3O2S/c12-5-7-14-17(15,16)11-3-1-2-9-4-6-13-8-10(9)11/h1-4,6,8,14H,5,7,12H2
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n/an/a 5.00E+4n/an/an/an/a7.430



Nagoya University School of Medicine



Assay Description
Casein kinase activities were determined under the conditions as described by Huang et al (1982).


J Biol Chem 264: 4924-7 (1989)


BindingDB Entry DOI: 10.7270/Q2K072VK
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM92674
PNG
(Isoquinolinesulfonamide, CKI-7)
Show SMILES NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12
Show InChI InChI=1S/C11H12ClN3O2S/c12-10-1-2-11(18(16,17)15-6-4-13)9-7-14-5-3-8(9)10/h1-3,5,7,15H,4,6,13H2
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n/an/a 9.50E+3n/an/an/an/a7.430



Nagoya University School of Medicine



Assay Description
Casein kinase activities were determined under the conditions as described by Huang et al (1982).


J Biol Chem 264: 4924-7 (1989)


BindingDB Entry DOI: 10.7270/Q2K072VK
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50224883
PNG
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)
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>6.92E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CK1alpha1


Bioorg Med Chem Lett 17: 6593-601 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.063
BindingDB Entry DOI: 10.7270/Q2X067WT
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM15211
PNG
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)
Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
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3.83E+4 -25.6n/an/an/an/an/an/a30



Nagoya University School of Medicine



Assay Description
Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d...


J Biol Chem 265: 5267-72 (1990)


BindingDB Entry DOI: 10.7270/Q2QR4VRF
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM15211
PNG
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)
Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
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3.83E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of casein kinase 1


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM92607
PNG
(H-88)
Show SMILES O=S(=O)(NCCNC\C=C\c1ccccc1)c1cccc2cnccc12
Show InChI InChI=1S/C20H21N3O2S/c24-26(25,20-10-4-9-18-16-22-13-11-19(18)20)23-15-14-21-12-5-8-17-6-2-1-3-7-17/h1-11,13,16,21,23H,12,14-15H2/b8-5+
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6.07E+4 -24.5n/an/an/an/an/an/a30



Nagoya University School of Medicine



Assay Description
Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d...


J Biol Chem 265: 5267-72 (1990)


BindingDB Entry DOI: 10.7270/Q2QR4VRF
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50375645
PNG
(CHEMBL219301)
Show SMILES NCCNS(=O)(=O)c1cccc2c(Cl)cccc12
Show InChI InChI=1S/C12H13ClN2O2S/c13-11-5-1-4-10-9(11)3-2-6-12(10)18(16,17)15-8-7-14/h1-6,15H,7-8,14H2
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8.00E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of casein kinase 1


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50331612
PNG
(CHEMBL1290072 | N-(4-methoxybenzyl)benzofuro[2,3-b...)
Show SMILES COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
Show InChI InChI=1S/C19H16N2O2/c1-22-14-8-6-13(7-9-14)12-21-16-10-11-20-19-18(16)15-4-2-3-5-17(15)23-19/h2-11H,12H2,1H3,(H,20,21)
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of human CK1-alpha1


Bioorg Med Chem Lett 20: 6915-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.004
BindingDB Entry DOI: 10.7270/Q2GF0TQS
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50395892
PNG
(CHEMBL2163772)
Show SMILES Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C17H11NO3/c19-11-6-7-14-12(8-11)16-15(10-4-2-1-3-5-10)13(20)9-18-17(16)21-14/h1-9,19-20H
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Ck1alpha1


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50431995
PNG
(CHEMBL2348725)
Show SMILES O=C(Nc1n[nH]c(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C15H11N3O2/c19-14(10-6-2-1-3-7-10)16-13-11-8-4-5-9-12(11)15(20)18-17-13/h1-9H,(H,18,20)(H,16,17,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50431996
PNG
(CHEMBL2348724)
Show SMILES Nc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C8H7N3O/c9-7-5-3-1-2-4-6(5)8(12)11-10-7/h1-4H,(H2,9,10)(H,11,12)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50431997
PNG
(CHEMBL2348723)
Show SMILES CC(C)C(=O)Nc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C12H13N3O2/c1-7(2)11(16)13-10-8-5-3-4-6-9(8)12(17)15-14-10/h3-7H,1-2H3,(H,15,17)(H,13,14,16)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50431998
PNG
(CHEMBL2348745)
Show SMILES CC(=O)Nc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C10H9N3O2/c1-6(14)11-9-7-4-2-3-5-8(7)10(15)13-12-9/h2-5H,1H3,(H,13,15)(H,11,12,14)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50431999
PNG
(CHEMBL2348744)
Show SMILES O=C(Cc1ccccc1)Nc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C16H13N3O2/c20-14(10-11-6-2-1-3-7-11)17-15-12-8-4-5-9-13(12)16(21)19-18-15/h1-9H,10H2,(H,19,21)(H,17,18,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50432000
PNG
(CHEMBL2348743)
Show SMILES CCCCCC(=O)Nc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C14H17N3O2/c1-2-3-4-9-12(18)15-13-10-7-5-6-8-11(10)14(19)17-16-13/h5-8H,2-4,9H2,1H3,(H,17,19)(H,15,16,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50432001
PNG
(CHEMBL2348742)
Show SMILES CC(C)C(=O)N(C(=O)C(C)C)c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C16H19N3O3/c1-9(2)15(21)19(16(22)10(3)4)13-11-7-5-6-8-12(11)14(20)18-17-13/h5-10H,1-4H3,(H,18,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50432002
PNG
(CHEMBL2348741)
Show SMILES CC(=O)N(C(C)=O)c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C12H11N3O3/c1-7(16)15(8(2)17)11-9-5-3-4-6-10(9)12(18)14-13-11/h3-6H,1-2H3,(H,14,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50432003
PNG
(CHEMBL2348740)
Show SMILES Clc1nnc(NC(=O)Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C16H12ClN3O/c17-15-12-8-4-5-9-13(12)16(20-19-15)18-14(21)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50432004
PNG
(CHEMBL2348739)
Show SMILES Clc1nnc(N(C(=O)Cc2ccccc2)C(=O)Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C24H18ClN3O2/c25-23-19-13-7-8-14-20(19)24(27-26-23)28(21(29)15-17-9-3-1-4-10-17)22(30)16-18-11-5-2-6-12-18/h1-14H,15-16H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50432005
PNG
(CHEMBL2348738)
Show SMILES CCCCCC(=O)N(C(=O)CCCCC)c1nnc(Cl)c2ccccc12
Show InChI InChI=1S/C20H26ClN3O2/c1-3-5-7-13-17(25)24(18(26)14-8-6-4-2)20-16-12-10-9-11-15(16)19(21)22-23-20/h9-12H,3-8,13-14H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50432006
PNG
(CHEMBL2348737)
Show SMILES O=C(Nc1cc(-c2ccccc2)c(=O)[nH]n1)c1ccccc1
Show InChI InChI=1S/C17H13N3O2/c21-16(13-9-5-2-6-10-13)18-15-11-14(17(22)20-19-15)12-7-3-1-4-8-12/h1-11H,(H,20,22)(H,18,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50432007
PNG
(CHEMBL2348736)
Show SMILES Clc1nnc(NC(=O)c2ccccc2)cc1-c1ccccc1
Show InChI InChI=1S/C17H12ClN3O/c18-16-14(12-7-3-1-4-8-12)11-15(20-21-16)19-17(22)13-9-5-2-6-10-13/h1-11H,(H,19,20,22)
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Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50432008
PNG
(CHEMBL2348735)
Show SMILES Nc1cc(-c2ccccc2)c(=O)[nH]n1
Show InChI InChI=1S/C10H9N3O/c11-9-6-8(10(14)13-12-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12)(H,13,14)
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Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50432009
PNG
(CHEMBL2348734)
Show SMILES CC(=O)Nc1cc(-c2ccccc2)c(=O)[nH]n1
Show InChI InChI=1S/C12H11N3O2/c1-8(16)13-11-7-10(12(17)15-14-11)9-5-3-2-4-6-9/h2-7H,1H3,(H,15,17)(H,13,14,16)
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Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50432010
PNG
(CHEMBL2348733)
Show SMILES Nc1n[nH]c(=O)cc1-c1ccccc1
Show InChI InChI=1S/C10H9N3O/c11-10-8(6-9(14)12-13-10)7-4-2-1-3-5-7/h1-6H,(H2,11,13)(H,12,14)
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Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50432011
PNG
(CHEMBL2348732)
Show SMILES CC(=O)Nc1n[nH]c(=O)cc1-c1ccccc1
Show InChI InChI=1S/C12H11N3O2/c1-8(16)13-12-10(7-11(17)14-15-12)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,17)(H,13,15,16)
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Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50432012
PNG
(CHEMBL2348731)
Show SMILES CN1CCC(CC1)Nc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C14H18N4O/c1-18-8-6-10(7-9-18)15-13-11-4-2-3-5-12(11)14(19)17-16-13/h2-5,10H,6-9H2,1H3,(H,15,16)(H,17,19)
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Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50432013
PNG
(CHEMBL2348730)
Show SMILES O=c1[nH]nc(NCCN2CCCCC2)c2ccccc12
Show InChI InChI=1S/C15H20N4O/c20-15-13-7-3-2-6-12(13)14(17-18-15)16-8-11-19-9-4-1-5-10-19/h2-3,6-7H,1,4-5,8-11H2,(H,16,17)(H,18,20)
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Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50432014
PNG
(CHEMBL2348729)
Show SMILES CCCNc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C11H13N3O/c1-2-7-12-10-8-5-3-4-6-9(8)11(15)14-13-10/h3-6H,2,7H2,1H3,(H,12,13)(H,14,15)
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Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50432015
PNG
(CHEMBL2348728)
Show SMILES O=c1[nH]nc(NCc2ccccc2)c2ccccc12
Show InChI InChI=1S/C15H13N3O/c19-15-13-9-5-4-8-12(13)14(17-18-15)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)(H,18,19)
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Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50432016
PNG
(CHEMBL2348727)
Show SMILES CN1CCC(CC1)Nc1cc(-c2ccccc2)c(=O)[nH]n1
Show InChI InChI=1S/C16H20N4O/c1-20-9-7-13(8-10-20)17-15-11-14(16(21)19-18-15)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,17,18)(H,19,21)
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Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50432017
PNG
(CHEMBL2348726)
Show SMILES O=c1cc(c(NCCN2CCCCC2)n[nH]1)-c1ccccc1
Show InChI InChI=1S/C17H22N4O/c22-16-13-15(14-7-3-1-4-8-14)17(20-19-16)18-9-12-21-10-5-2-6-11-21/h1,3-4,7-8,13H,2,5-6,9-12H2,(H,18,20)(H,19,22)
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Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50432018
PNG
(CHEMBL2348750)
Show SMILES O=c1[nH]nc(NCCN2CCCCC2)cc1-c1ccccc1
Show InChI InChI=1S/C17H22N4O/c22-17-15(14-7-3-1-4-8-14)13-16(19-20-17)18-9-12-21-10-5-2-6-11-21/h1,3-4,7-8,13H,2,5-6,9-12H2,(H,18,19)(H,20,22)
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Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50432019
PNG
(CHEMBL2348749)
Show SMILES CCCNc1n[nH]c(=O)cc1-c1ccccc1
Show InChI InChI=1S/C13H15N3O/c1-2-8-14-13-11(9-12(17)15-16-13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,14,16)(H,15,17)
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Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50431992
PNG
(CHEMBL2348748)
Show SMILES CCCNc1cc(-c2ccccc2)c(=O)[nH]n1
Show InChI InChI=1S/C13H15N3O/c1-2-8-14-12-9-11(13(17)16-15-12)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,14,15)(H,16,17)
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Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50431993
PNG
(CHEMBL2348747)
Show SMILES O=c1cc(c(NCc2ccccc2)n[nH]1)-c1ccccc1
Show InChI InChI=1S/C17H15N3O/c21-16-11-15(14-9-5-2-6-10-14)17(20-19-16)18-12-13-7-3-1-4-8-13/h1-11H,12H2,(H,18,20)(H,19,21)
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Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50431994
PNG
(CHEMBL2348746)
Show SMILES O=c1[nH]nc(NCc2ccccc2)cc1-c1ccccc1
Show InChI InChI=1S/C17H15N3O/c21-17-15(14-9-5-2-6-10-14)11-16(19-20-17)18-12-13-7-3-1-4-8-13/h1-11H,12H2,(H,18,19)(H,20,21)
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Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM25017
PNG
(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)
Show SMILES CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12
Show InChI InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)
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n/an/a 450n/an/an/an/an/an/a



University of Dundee



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] labe...


Biochem J 401: 29-38 (2007)


Article DOI: 10.1042/BJ20061088
BindingDB Entry DOI: 10.7270/Q25Q4TD7
More data for this
Ligand-Target Pair
CSNK1A1L


(Homo sapiens (Human))
BDBM31090
PNG
((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+
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n/an/an/a 1.00E+3n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2DR2SVD
More data for this
Ligand-Target Pair
CSNK1A1L


(Homo sapiens (Human))
BDBM31095
PNG
(5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1
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n/an/an/a 1.50E+3n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2DR2SVD
More data for this
Ligand-Target Pair
CSNK1A1L


(Homo sapiens (Human))
BDBM31096
PNG
(CHEMBL290084 | Staurosporine | cid_451705)
Show SMILES CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m0/s1
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Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2DR2SVD
More data for this
Ligand-Target Pair
CSNK1A1L


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2DR2SVD
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM173195
PNG
(US10137122, Compound 3 | US9096594, 3)
Show SMILES Cc1[nH]nc2NC3=C([C@H](c12)c1ccccc1)C(=O)CC(C)(C)C3
Show InChI InChI=1S/C19H21N3O/c1-11-15-16(12-7-5-4-6-8-12)17-13(20-18(15)22-21-11)9-19(2,3)10-14(17)23/h4-8,16H,9-10H2,1-3H3,(H2,20,21,22)/t16-/m0/s1
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US Patent
n/an/a>3.00E+4n/an/an/an/an/a25



The Broad Institute, Inc.; The General Hospital Corporation; Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The GSK3beta primary screen was conducted in assay ready 1536 plates (Aurora 29847) that contain 2.5 mL/well of 10 mM compound. Human GSK3beta as a G...


US Patent US9096594 (2015)


BindingDB Entry DOI: 10.7270/Q21Z435K
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM6644
PNG
(6‐phenylpteridine‐2,4,7‐triamine...)
Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1
Show InChI InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)
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PubMed
n/an/a 3.68E+4n/an/an/an/an/an/a



Max Planck Institute of Molecular Physiology



Assay Description
Single-point measurements analyses and subsequent dose-dependent investigations of selected pteridine derivatives for inhibition of CK1α were pe...


Cell Chem Biol 23: 494-507 (2016)


Article DOI: 10.1016/j.chembiol.2016.02.015
BindingDB Entry DOI: 10.7270/Q2GQ6WJD
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM191572
PNG
(6-(3-chlorophenyl)pteridine-2,4,7-triamine (15) | ...)
Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C12H10ClN7/c13-6-3-1-2-5(4-6)7-9(14)18-11-8(17-7)10(15)19-12(16)20-11/h1-4H,(H6,14,15,16,18,19,20)
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n/an/a 8.90E+3n/an/an/an/an/an/a



Max Planck Institute of Molecular Physiology



Assay Description
Single-point measurements analyses and subsequent dose-dependent investigations of selected pteridine derivatives for inhibition of CK1α were pe...


Cell Chem Biol 23: 494-507 (2016)


Article DOI: 10.1016/j.chembiol.2016.02.015
BindingDB Entry DOI: 10.7270/Q2GQ6WJD
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM191573
PNG
(6-(3-fluorophenyl)pteridine-2,4,7-triamine (16))
Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1cccc(F)c1
Show InChI InChI=1S/C12H10FN7/c13-6-3-1-2-5(4-6)7-9(14)18-11-8(17-7)10(15)19-12(16)20-11/h1-4H,(H6,14,15,16,18,19,20)
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n/an/a 3.33E+4n/an/an/an/an/an/a



Max Planck Institute of Molecular Physiology



Assay Description
Single-point measurements analyses and subsequent dose-dependent investigations of selected pteridine derivatives for inhibition of CK1α were pe...


Cell Chem Biol 23: 494-507 (2016)


Article DOI: 10.1016/j.chembiol.2016.02.015
BindingDB Entry DOI: 10.7270/Q2GQ6WJD
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM191574
PNG
(6-(3-bromophenyl)pteridine-2,4,7-triamine (18))
Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1cccc(Br)c1
Show InChI InChI=1S/C12H10BrN7/c13-6-3-1-2-5(4-6)7-9(14)18-11-8(17-7)10(15)19-12(16)20-11/h1-4H,(H6,14,15,16,18,19,20)
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n/an/a 9.30E+3n/an/an/an/an/an/a



Max Planck Institute of Molecular Physiology



Assay Description
Single-point measurements analyses and subsequent dose-dependent investigations of selected pteridine derivatives for inhibition of CK1α were pe...


Cell Chem Biol 23: 494-507 (2016)


Article DOI: 10.1016/j.chembiol.2016.02.015
BindingDB Entry DOI: 10.7270/Q2GQ6WJD
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM191581
PNG
(6-(2,4-dichlorophenyl)pteridine-2,4,7-triamine (25...)
Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C12H9Cl2N7/c13-4-1-2-5(6(14)3-4)7-9(15)19-11-8(18-7)10(16)20-12(17)21-11/h1-3H,(H6,15,16,17,19,20,21)
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n/an/a 5.56E+4n/an/an/an/an/an/a



Max Planck Institute of Molecular Physiology



Assay Description
Single-point measurements analyses and subsequent dose-dependent investigations of selected pteridine derivatives for inhibition of CK1α were pe...


Cell Chem Biol 23: 494-507 (2016)


Article DOI: 10.1016/j.chembiol.2016.02.015
BindingDB Entry DOI: 10.7270/Q2GQ6WJD
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM191585
PNG
(6-(naphthalen-1-yl)pteridine-2,4,7-triamine (29) |...)
Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1cccc2ccccc12
Show InChI InChI=1S/C16H13N7/c17-13-11(10-7-3-5-8-4-1-2-6-9(8)10)20-12-14(18)22-16(19)23-15(12)21-13/h1-7H,(H6,17,18,19,21,22,23)
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n/an/a 3.59E+4n/an/an/an/an/an/a



Max Planck Institute of Molecular Physiology



Assay Description
Single-point measurements analyses and subsequent dose-dependent investigations of selected pteridine derivatives for inhibition of CK1α were pe...


Cell Chem Biol 23: 494-507 (2016)


Article DOI: 10.1016/j.chembiol.2016.02.015
BindingDB Entry DOI: 10.7270/Q2GQ6WJD
More data for this
Ligand-Target Pair
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