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Compile Data Set for Download or QSAR

Found 147 hits of affinity data for UniProtKB/TrEMBL: P67828    Zinc 0: unavailable per Zinc DB. Zinc 1: purchasable, 2 weeks to supply. Zinc 2: made on demand. Zinc 4: potentially available
Target
(Institution)
LigandTarget
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


(Homo sapiens (human))
CHEMBL248757
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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>6916.0n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CK1alpha1


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
H-89
PNG
(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
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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PubMed
38300.0 -25.63n/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)

More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
H-89
PNG
(CHEMBL104264 | H89 | N-(2-{[(2E)-3-(4-bromophenyl)...)
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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38300.0n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of casein kinase 1


Citation and Details
corrected by BindingDB staff
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
H-88
PNG
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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60700.0 -24.47n/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)

More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL219301
PNG
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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80000.0n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of casein kinase 1


Citation and Details
corrected by BindingDB staff
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL1290072
PNG
(N-(4-methoxybenzyl)benzofuro[2,3-b]pyridin-4-amine)
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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>1000000.0n/an/an/an/an/an/an/an/a



Martin Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of human CK1-alpha1


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL2163772
PNG
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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>1000000.0n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Ck1alpha1


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL2203552
PNG
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 9.0n/an/an/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL215919
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 14.0n/an/an/an/an/an/a



Schering-Plough

Curated by ChEMBL


Assay Description
Inhibition of CK1


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL215919
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 14.0n/an/an/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL2203555
PNG
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 19.0n/an/an/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL2203553
PNG
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 33.0n/an/an/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL2010872
PNG
(CEP-11981)
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 48.0n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CK1 using ATP as substrate


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL2203556
PNG
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 54.0n/an/an/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL2089212
PNG
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 78.0n/an/an/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL2203557
PNG
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 95.0n/an/an/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL2089214
PNG
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 142.0n/an/an/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL2203559
PNG
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 146.0n/an/an/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL2089036
PNG
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 150.0n/an/an/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL2203561
PNG
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 174.0n/an/an/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL2089032
PNG
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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n/an/a 180.0n/an/an/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL2203562
PNG
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

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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL466496
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

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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL2203563
PNG
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

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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL410456
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

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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL1945559
PNG
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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n/an/a 330.0n/an/an/an/an/an/a



Ludwig-Maximilians University of Munich

Curated by ChEMBL


Assay Description
Inhibition of CK1alpha using ATP as substrate


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL2203565
PNG
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

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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL2089034
PNG
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

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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL2203564
PNG
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

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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
BI-D1870
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 450.0n/an/an/an/a7.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
BI-D1870
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 450.0n/an/an/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL3261517
PNG
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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n/an/a 545.0n/an/an/an/an/an/a



Medicinal Chemistry, Amgen, Inc., One Amgen Center Drive, Thousand Oaks, CA 91320, USA. Electronic address: Andreas.Reichelt@amgen.com.

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL2203554
PNG
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 568.0n/an/an/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL2089033
PNG
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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n/an/a 600.0n/an/an/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL2089035
PNG
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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n/an/a 660.0n/an/an/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL3261514
PNG
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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n/an/a 694.0n/an/an/an/an/an/a



Medicinal Chemistry, Amgen, Inc., One Amgen Center Drive, Thousand Oaks, CA 91320, USA. Electronic address: Andreas.Reichelt@amgen.com.

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL2203560
PNG
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 736.0n/an/an/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL489156
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 1000.0n/an/an/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL1234833
PNG
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 1040.0n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of CK1


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL489344
PNG
(N-methyl-4-(2-(piperidin-4-yl)-5-(3-(trifluorometh...)
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 1100.0n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare "P. Angeletti

Curated by ChEMBL


Assay Description
Inhibition of human CKIalpha


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL489156
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 1240.0n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of CK1alpha (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL523938
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 1300.0n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare "P. Angeletti

Curated by ChEMBL


Assay Description
Inhibition of human CKIalpha


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL3091536
PNG
Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccc(F)cc1
Show InChI InChI=1S/C19H18FN5O2/c1-24-18(26)10-16(15-6-7-21-12-22-15)23-19(24)25-8-9-27-17(11-25)13-2-4-14(20)5-3-13/h2-7,10,12,17H,8-9,11H2,1H3/t17-/m1/s1
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n/an/a 1500.0n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of CK1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL2089213
PNG
Show SMILES C[C@@H](NC(=O)Nc1cccc(Nc2ncc3c(N)[nH]nc3n2)c1)c1ccccc1
Show InChI InChI=1S/C20H20N8O/c1-12(13-6-3-2-4-7-13)23-20(29)25-15-9-5-8-14(10-15)24-19-22-11-16-17(21)27-28-18(16)26-19/h2-12H,1H3,(H2,23,25,29)(H4,21,22,24,26,27,28)/t12-/m1/s1
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n/an/a 2470.0n/an/an/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL2071611
PNG
Show SMILES Cn1cc(cn1)-c1ccc(Nc2nc3ccc(cc3[nH]2)C#N)cc1
Show InChI InChI=1S/C18H14N6/c1-24-11-14(10-20-24)13-3-5-15(6-4-13)21-18-22-16-7-2-12(9-19)8-17(16)23-18/h2-8,10-11H,1H3,(H2,21,22,23)
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n/an/a 3540.0n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CK1alpha by Lance assay


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL86771
PNG
(1,4-diamino-9,10-anthraquinone | 1,4-diamino-anthr...)
Show SMILES Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2
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n/an/a 4000.0n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of CK1alpha (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
(R)-Roscovitine
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 4000.0n/an/an/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
1-Amino-4-hydroxy-anthraquinone
PNG
(1-hydroxy-4-amino-anthraquinone | CHEMBL88326 | ci...)
Show SMILES Nc1ccc(O)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H9NO3/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,16H,15H2
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n/an/a 4000.0n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of CK1alpha (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL162
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[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+/m1/s1
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n/an/a 4188.0n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of CK1alpha1


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase I


(Homo sapiens (human))
CHEMBL2071610
PNG
Show SMILES Fc1ncccc1-c1ccc(Nc2nc3ccc(cc3[nH]2)C#N)cc1
Show InChI InChI=1S/C19H12FN5/c20-18-15(2-1-9-22-18)13-4-6-14(7-5-13)23-19-24-16-8-3-12(11-21)10-17(16)25-19/h1-10H,(H2,23,24,25)
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n/an/a 4670.0n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CK1alpha by Lance assay


Citation and Details
More data for this
Ligand-Target Pair
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