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Compile Data Set for Download or QSAR

Found 483 hits Enz. Inhib. hit(s) with Target = 'Casein Kinase I'   
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)
BDBM50400754
PNG
(CHEMBL2203564)
Show SMILES COc1cnc(COc2ccc(F)cc2C)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C21H20FN3O3/c1-12-7-13(22)3-4-19(12)28-11-14-8-15(20(27-2)10-24-14)18-9-16-17(25-18)5-6-23-21(16)26/h3-4,7-10,25H,5-6,11H2,1-2H3,(H,23,26)
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n/an/a 3n/an/an/an/an/an/a


TBA

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


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


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


TBA

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


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


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


TBA

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


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


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


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I


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


TBA

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


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


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


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I


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


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 Alpha)


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


TBA

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 isoform alpha (CK1 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 (CK1 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

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


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 Alpha)


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


TBA

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


TBA

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


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


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


TBA

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


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


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


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 Alpha)


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


TBA

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


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 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


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


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 Alpha)


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


TBA

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 isoform alpha (CK1 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

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


TBA

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


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


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

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


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 Alpha)


(Homo sapiens (human))
BDBM50400747
PNG
(CHEMBL2203557)
Show SMILES COc1cnc(OCc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C19H17FN4O3/c1-26-16-9-22-19(27-10-11-2-4-12(20)5-3-11)24-17(16)15-8-13-14(23-15)6-7-21-18(13)25/h2-5,8-9,23H,6-7,10H2,1H3,(H,21,25)
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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 isoform alpha (CK1 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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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 isoform alpha (CK1 Alpha)


(Homo sapiens (human))
BDBM50400745
PNG
(CHEMBL2203559)
Show SMILES COc1cnc(COc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C19H17FN4O3/c1-26-16-9-22-17(10-27-12-4-2-11(20)3-5-12)24-18(16)15-8-13-14(23-15)6-7-21-19(13)25/h2-5,8-9,23H,6-7,10H2,1H3,(H,21,25)
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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 isoform alpha (CK1 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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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)
BDBM50259563
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1
Show InChI InChI=1S/C17H14N4O4/c18-17(25)12(9-2-1-3-11(22)8-9)21-14-13(15(23)16(14)24)20-10-4-6-19-7-5-10/h1-8,12,21-22H,(H2,18,25)(H,19,20)
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n/an/a 160n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma1 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)

More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 Alpha)


(Homo sapiens (human))
BDBM50400757
PNG
(CHEMBL2203561)
Show SMILES COc1cnc(COc2ccc(F)cc2)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H18FN3O3/c1-26-19-10-23-13(11-27-14-4-2-12(21)3-5-14)8-15(19)18-9-16-17(24-18)6-7-22-20(16)25/h2-5,8-10,24H,6-7,11H2,1H3,(H,22,25)
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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 isoform alpha (CK1 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

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)
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

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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform alpha (CK1 Alpha)


(Homo sapiens (human))
BDBM50400756
PNG
(CHEMBL2203562)
Show SMILES COc1cnc(COc2ccc(F)cc2F)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H17F2N3O3/c1-27-19-9-24-12(10-28-18-3-2-11(21)6-15(18)22)7-13(19)17-8-14-16(25-17)4-5-23-20(14)26/h2-3,6-9,25H,4-5,10H2,1H3,(H,23,26)
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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 isoform alpha (CK1 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

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)
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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n/an/a 250n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma1 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)

More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 Alpha)


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

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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform alpha (CK1 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

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 isoform alpha (CK1 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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n/an/a 330n/an/an/an/an/an/a



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


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

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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform alpha (CK1 Alpha)


(Homo sapiens (human))
BDBM50400753
PNG
(CHEMBL2203565)
Show SMILES COc1cnc(COc2cc(F)c(F)cc2C)cc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C21H19F2N3O3/c1-11-5-15(22)16(23)8-19(11)29-10-12-6-13(20(28-2)9-25-12)18-7-14-17(26-18)3-4-24-21(14)27/h5-9,26H,3-4,10H2,1-2H3,(H,24,27)
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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 isoform alpha (CK1 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

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)
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

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


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


(Rattus norvegicus (rat))
BDBM10842
PNG
(3-(2-aminopyrimidin-4-yl)-7-bromo-1H-indol-4-ol | ...)
Show SMILES Nc1nccc(n1)-c1c[nH]c2c(Br)ccc(O)c12
Show InChI InChI=1S/C12H9BrN4O/c13-7-1-2-9(18)10-6(5-16-11(7)10)8-3-4-15-12(14)17-8/h1-5,16,18H,(H2,14,15,17)
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n/an/a 400n/an/an/an/a7.230



CNRS



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30°C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P ...


Bioorg Med Chem Lett 14: 1703-7 (2004)

More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 Alpha)


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


TBA

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 isoform alpha (CK1 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


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 isoform alpha (CK1 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/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...


Biochem J 401: 29-38 (2007)

More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens)
BDBM50259532
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
Show InChI InChI=1S/C17H14N4O3/c18-17(24)12(10-4-2-1-3-5-10)21-14-13(15(22)16(14)23)20-11-6-8-19-9-7-11/h1-9,12,21H,(H2,18,24)(H,19,20)
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n/an/a 520n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma1 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)

More data for this
Ligand-Target Pair
Casein kinase I


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


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 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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n/an/a 545n/an/an/an/an/an/a



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 (CK1 Alpha)


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


TBA

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
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