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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))
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)

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...


Citation and Details
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
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...


Citation and Details
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
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)

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)

More data for this
Ligand-Target Pair
Casein kinase I isoform 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)

More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50244787
PNG
((R)-2-(1-Hydroxybut-2-ylamino)-6-[3-(2-pyridyl)phe...)
Show SMILES CC[C@H](CO)Nc1nc(Nc2cccc(c2)-c2ccccn2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C23H27N7O/c1-4-17(13-31)27-23-28-21(20-22(29-23)30(14-25-20)15(2)3)26-18-9-7-8-16(12-18)19-10-5-6-11-24-19/h5-12,14-15,17,31H,4,13H2,1-3H3,(H2,26,27,28,29)/t17-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1 using KRRRALS(p)VASLPGL as substrate after 40 mins by scintillation counter


Eur J Med Chem 56: 30-38 (2012)

More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50244787
PNG
((R)-2-(1-Hydroxybut-2-ylamino)-6-[3-(2-pyridyl)phe...)
Show SMILES CC[C@H](CO)Nc1nc(Nc2cccc(c2)-c2ccccn2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C23H27N7O/c1-4-17(13-31)27-23-28-21(20-22(29-23)30(14-25-20)15(2)3)26-18-9-7-8-16(12-18)19-10-5-6-11-24-19/h5-12,14-15,17,31H,4,13H2,1-3H3,(H2,26,27,28,29)/t17-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Schering-Plough

Curated by ChEMBL


Assay Description
Inhibition of CK1


J Med Chem 53: 1413-37 (2010)

More data for this
Ligand-Target Pair
Casein kinase I isoform 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)

More data for this
Ligand-Target Pair
Casein kinase I isoform 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)

More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50379186
PNG
(CEP-11981 | CHEMBL2010872)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
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n/an/a 48n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CK1 using ATP as substrate


J Med Chem 55: 903-13 (2012)

More data for this
Ligand-Target Pair
Casein kinase I isoform 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)

More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50420281
PNG
(CHEMBL2089212)
Show SMILES Nc1[nH]nc2nc(Nc3cccc(NC(=O)Nc4ccc(F)c(Cl)c4)c3)ncc12
Show InChI InChI=1S/C18H14ClFN8O/c19-13-7-11(4-5-14(13)20)25-18(29)24-10-3-1-2-9(6-10)23-17-22-8-12-15(21)27-28-16(12)26-17/h1-8H,(H2,24,25,29)(H4,21,22,23,26,27,28)
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n/an/a 78n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1 using KRRRALS(p)VASLPGL as substrate after 40 mins by scintillation counter


Eur J Med Chem 56: 30-38 (2012)

More data for this
Ligand-Target Pair
Casein kinase I isoform 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)

More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50420283
PNG
(CHEMBL2089214)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ncc4c(N)[nH]nc4n3)c2)[nH]n1
Show InChI InChI=1S/C19H22N10O/c1-19(2,3)13-8-14(27-26-13)24-18(30)23-11-6-4-5-10(7-11)22-17-21-9-12-15(20)28-29-16(12)25-17/h4-9H,1-3H3,(H3,23,24,26,27,30)(H4,20,21,22,25,28,29)
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n/an/a 142n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1 using KRRRALS(p)VASLPGL as substrate after 40 mins by scintillation counter


Eur J Med Chem 56: 30-38 (2012)

More data for this
Ligand-Target Pair
Casein kinase I isoform 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)

More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50420301
PNG
(CHEMBL2089036)
Show SMILES CC(C)[C@H](N)C(=O)OC[C@H](O)CNc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C28H36N8O3/c1-17(2)23(29)27(38)39-15-21(37)14-32-28-34-25(24-26(35-28)36(16-33-24)18(3)4)31-13-19-8-10-20(11-9-19)22-7-5-6-12-30-22/h5-12,16-18,21,23,37H,13-15,29H2,1-4H3,(H2,31,32,34,35)/t21-,23+/m1/s1
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1 after 30 mins by liquid scintillation counter


Eur J Med Chem 56: 210-216 (2012)

More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Bos taurus)
BDBM50025019
PNG
(CHEMBL3337845)
Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1nc(cs1)C(=O)Nc1nc2cc3OC(F)(F)Oc3cc2[nH]1
Show InChI InChI=1S/C20H10F5N5O5S/c21-19(22,23)33-12-4-2-1-3-8(12)15(31)30-18-28-11(7-36-18)16(32)29-17-26-9-5-13-14(6-10(9)27-17)35-20(24,25)34-13/h1-7H,(H,28,30,31)(H2,26,27,29,32)
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n/an/a 160n/an/an/an/an/an/a



Ulm University Hospital

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged bovine CK1alpha expressed in Escherichia coli using alpha casein substrate by SDS-PAGE based autoradiography


J Med Chem 57: 7933-46 (2014)

More data for this
Ligand-Target Pair
Casein kinase I isoform 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)

More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50420297
PNG
(CHEMBL2089032)
Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(NC[C@@H](O)CO)nc12
Show InChI InChI=1S/C23H27N7O2/c1-15(2)30-14-27-20-21(28-23(29-22(20)30)26-12-18(32)13-31)25-11-16-6-8-17(9-7-16)19-5-3-4-10-24-19/h3-10,14-15,18,31-32H,11-13H2,1-2H3,(H2,25,26,28,29)/t18-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1 after 30 mins by liquid scintillation counter


Eur J Med Chem 56: 210-216 (2012)

More data for this
Ligand-Target Pair
Casein kinase I isoform 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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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)

More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50259376
PNG
(3-((R)-1-Phenyl-ethylamino)-4-(pyridin-4-ylamino)-...)
Show SMILES C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
Show InChI InChI=1S/C17H15N3O2/c1-11(12-5-3-2-4-6-12)19-14-15(17(22)16(14)21)20-13-7-9-18-10-8-13/h2-11,19H,1H3,(H,18,20)/t11-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1 using KRRRALS(p)VASLPGL as substrate after 40 mins by scintillation counter


Eur J Med Chem 56: 30-38 (2012)

More data for this
Ligand-Target Pair
Casein kinase I isoform 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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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)

More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426312
PNG
(CHEMBL2321951)
Show SMILES COC(=O)c1ccc2[nH]c(C3C(=O)Nc4ccccc34)c(N=O)c2c1
Show InChI InChI=1S/C18H13N3O4/c1-25-18(23)9-6-7-13-11(8-9)15(21-24)16(19-13)14-10-4-2-3-5-12(10)20-17(14)22/h2-8,14,19H,1H3,(H,20,22)
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TBA

Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50229971
PNG
(4-(4-(2,3-Dihydrobenzo[1,4]dioxin-6-yl)-5-pyridin-...)
Show SMILES NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCCOc2c1)-c1ccccn1
Show InChI InChI=1S/C23H18N4O3/c24-22(28)14-4-6-15(7-5-14)23-26-20(21(27-23)17-3-1-2-10-25-17)16-8-9-18-19(13-16)30-12-11-29-18/h1-10,13H,11-12H2,(H2,24,28)(H,26,27)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1 using KRRRALS(p)VASLPGL as substrate after 40 mins by scintillation counter


Eur J Med Chem 56: 30-38 (2012)

More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50363167
PNG
(CHEMBL1945559)
Show SMILES Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12
Show InChI InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)
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Ludwig-Maximilians University of Munich

Curated by ChEMBL


Assay Description
Inhibition of CK1alpha using ATP as substrate


J Med Chem 55: 403-13 (2012)

More data for this
Ligand-Target Pair
Casein kinase I isoform 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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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)

More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50420299
PNG
(CHEMBL2089034)
Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1C[C@H](O)C[C@H]1CO
Show InChI InChI=1S/C25H29N7O2/c1-16(2)32-15-28-22-23(29-25(30-24(22)32)31-13-20(34)11-19(31)14-33)27-12-17-6-8-18(9-7-17)21-5-3-4-10-26-21/h3-10,15-16,19-20,33-34H,11-14H2,1-2H3,(H,27,29,30)/t19-,20+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1 after 30 mins by liquid scintillation counter


Eur J Med Chem 56: 210-216 (2012)

More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426336
PNG
(CHEMBL2321952)
Show SMILES OC(=O)c1ccc2[nH]c(C3C(=O)Nc4ccccc34)c(N=O)c2c1
Show InChI InChI=1S/C17H11N3O4/c21-16-13(9-3-1-2-4-11(9)19-16)15-14(20-24)10-7-8(17(22)23)5-6-12(10)18-15/h1-7,13,18H,(H,19,21)(H,22,23)
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TBA

Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I isoform 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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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)

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)

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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TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1 using KRRRALS(p)VASLPGL as substrate after 40 mins by scintillation counter


Eur J Med Chem 56: 30-38 (2012)

More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50016166
PNG
(CHEMBL3261517)
Show SMILES COc1ccc(-c2nc(sc2C(N)=O)-c2ccnc(N)n2)c(Cl)c1
Show InChI InChI=1S/C15H12ClN5O2S/c1-23-7-2-3-8(9(16)6-7)11-12(13(17)22)24-14(21-11)10-4-5-19-15(18)20-10/h2-6H,1H3,(H2,17,22)(H2,18,19,20)
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Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CK1alpha (unknown origin) by TR-FRET assay


Eur J Med Chem 80: 364-82 (2014)

More data for this
Ligand-Target Pair
Casein kinase I isoform 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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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)

More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426310
PNG
(CHEMBL2321967)
Show SMILES COC(=O)c1ccc2N\C(C(=O)c2c1)=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C18H12N2O4/c1-24-18(23)9-6-7-13-11(8-9)16(21)15(19-13)14-10-4-2-3-5-12(10)20-17(14)22/h2-8,19H,1H3,(H,20,22)/b15-14-
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TBA

Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50420298
PNG
(CHEMBL2089033)
Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@@H]3CCC[C@H](O)[C@@H]3O)nc12
Show InChI InChI=1S/C26H31N7O2/c1-16(2)33-15-29-22-24(28-14-17-9-11-18(12-10-17)19-6-3-4-13-27-19)31-26(32-25(22)33)30-20-7-5-8-21(34)23(20)35/h3-4,6,9-13,15-16,20-21,23,34-35H,5,7-8,14H2,1-2H3,(H2,28,30,31,32)/t20-,21+,23-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1 after 30 mins by liquid scintillation counter


Eur J Med Chem 56: 210-216 (2012)

More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50420300
PNG
(CHEMBL2089035)
Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC[C@H](O)CO)nc12
Show InChI InChI=1S/C24H29N7O2/c1-16(2)31-15-28-21-22(29-24(30-23(21)31)26-12-10-19(33)14-32)27-13-17-6-8-18(9-7-17)20-5-3-4-11-25-20/h3-9,11,15-16,19,32-33H,10,12-14H2,1-2H3,(H2,26,27,29,30)/t19-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1 after 30 mins by liquid scintillation counter


Eur J Med Chem 56: 210-216 (2012)

More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50016163
PNG
(CHEMBL3261514)
Show SMILES NC(=O)c1sc(nc1-c1ccc(Cl)cc1Cl)-c1ccnc(N)n1
Show InChI InChI=1S/C14H9Cl2N5OS/c15-6-1-2-7(8(16)5-6)10-11(12(17)22)23-13(21-10)9-3-4-19-14(18)20-9/h1-5H,(H2,17,22)(H2,18,19,20)
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Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CK1alpha (unknown origin) by TR-FRET assay


Eur J Med Chem 80: 364-82 (2014)

More data for this
Ligand-Target Pair
Casein kinase I isoform 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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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)

More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426313
PNG
(CHEMBL2321959)
Show SMILES OC(=O)c1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C17H11N3O4/c21-16-13(9-3-1-2-4-11(9)19-16)15-14(20-24)10-6-5-8(17(22)23)7-12(10)18-15/h1-7,13,18H,(H,19,21)(H,22,23)
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TBA

Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426334
PNG
(CHEMBL2321948)
Show SMILES Brc1cccc2C(C(=O)Nc12)=C1Nc2ccc(CN=O)cc2C1=O
Show InChI InChI=1S/C17H10BrN3O3/c18-11-3-1-2-9-13(17(23)21-14(9)11)15-16(22)10-6-8(7-19-24)4-5-12(10)20-15/h1-6,20H,7H2,(H,21,23)
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TBA

Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50235830
PNG
(CHEMBL2006765)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50263829
PNG
(3-(2,4,6-Trimethoxybenzylidene)indolin-2-one | 3-[...)
Show SMILES COc1cc(OC)c(\C=C2\C(=O)Nc3ccccc23)c(OC)c1
Show InChI InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)/b13-10+
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1 using KRRRALS(p)VASLPGL as substrate after 40 mins by scintillation counter


Eur J Med Chem 56: 30-38 (2012)

More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50347388
PNG
(CHEMBL1234833)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12
Show InChI InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1
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n/an/a 1.04E+3n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of CK1


J Med Chem 53: 8508-22 (2010)

More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50260228
PNG
(CHEMBL489344 | N-methyl-4-(2-(piperidin-4-yl)-5-(3...)
Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C20H21F3N6/c1-24-19-26-10-7-15(27-19)17-16(13-3-2-4-14(11-13)20(21,22)23)28-18(29-17)12-5-8-25-9-6-12/h2-4,7,10-12,25H,5-6,8-9H2,1H3,(H,28,29)(H,24,26,27)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare "P. Angeletti

Curated by ChEMBL


Assay Description
Inhibition of human CKIalpha


J Biol Chem 282: 5536-44 (2007)

More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM7401
PNG
((2 Z,3 E)-6-Bromoindirubin-3 -oxime | (3E)-6-bromo...)
Show SMILES Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,13,18H,(H,19,21)
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50008516
PNG
(IC261)
Show SMILES COc1cc(OC)c(C=C2C(O)=Nc3ccccc23)c(OC)c1
Show InChI InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)
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n/an/a 1.24E+3n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of CK1alpha


Bioorg Med Chem Lett 18: 5672-5 (2008)

More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50260229
PNG
(4-(4-(4-fluorophenyl)-2-(4-methylcyclohexyl)-1H-im...)
Show SMILES CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H22FN3/c1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h6-14,17H,2-5H2,1H3,(H,24,25)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare "P. Angeletti

Curated by ChEMBL


Assay Description
Inhibition of human CKIalpha


J Biol Chem 282: 5536-44 (2007)

More data for this
Ligand-Target Pair
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