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Compile Data Set for Download or QSAR

Found 9 hits of ic50 for UniProtKB: P49674   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Casein kinase I isoform alpha/delta/epsilon/gamma-1/gamma-2


(Homo sapiens (Human))		BDBM50335638
PNG
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CK1 (unknown origin)

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01382
BindingDB Entry DOI: 10.7270/Q25D8WRZ
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha/delta/epsilon/gamma-1/gamma-2


(Homo sapiens (Human))		BDBM50587013
PNG
(CHEMBL5091216)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1ccc(OCC(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1
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n/an/a 230n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CK1 (unknown origin)

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01382
BindingDB Entry DOI: 10.7270/Q25D8WRZ
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha/delta/epsilon/gamma-1/gamma-2


(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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n/an/a 300n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CK1 in presence of [gamma33P]-ATP

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111581
BindingDB Entry DOI: 10.7270/Q29K4FJB
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha/delta/epsilon/gamma-1/gamma-2


(Homo sapiens (Human))		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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 1.40E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2

Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha/delta/epsilon/gamma-1/gamma-2


(Homo sapiens (Human))		BDBM50169892
PNG
(3-{4-[4-(3-Chloro-phenylamino)-[1,3,5]triazin-2-yl...)
Show SMILES OCCCNc1cc(ccn1)-c1ncnc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C17H17ClN6O/c18-13-3-1-4-14(10-13)23-17-22-11-21-16(24-17)12-5-7-20-15(9-12)19-6-2-8-25/h1,3-5,7,9-11,25H,2,6,8H2,(H,19,20)(H,21,22,23,24)
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n/an/a 3.05E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Casein kinase I

J Med Chem 48: 4535-46 (2005)


Article DOI: 10.1021/jm040214h
BindingDB Entry DOI: 10.7270/Q2833RK0
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha/delta/epsilon/gamma-1/gamma-2


(Homo sapiens (Human))		BDBM50179207
PNG
(3-fluoro-N-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]...)
Show SMILES COc1cc2Cc3c(Nc4cccc(F)c4)[nH]nc3-c2cc1OC
Show InChI InChI=1S/C18H16FN3O2/c1-23-15-7-10-6-14-17(13(10)9-16(15)24-2)21-22-18(14)20-12-5-3-4-11(19)8-12/h3-5,7-9H,6H2,1-2H3,(H2,20,21,22)
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n/an/a 7.20E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against Casein Kinase 1

J Med Chem 48: 8163-73 (2005)


Article DOI: 10.1021/jm050680m
BindingDB Entry DOI: 10.7270/Q2W095HW
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha/delta/epsilon/gamma-1/gamma-2


(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/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of CK1 (unknown origin)

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111581
BindingDB Entry DOI: 10.7270/Q29K4FJB
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha/delta/epsilon/gamma-1/gamma-2


(Homo sapiens (Human))		BDBM50139822
PNG
(10-Chloro-6-hydroxy-pyrido[1,2-a]quinolinylium; ch...)
Show SMILES Oc1cc2cccc[n+]2c2c(Cl)cccc12
Show InChI InChI=1S/C13H8ClNO/c14-11-6-3-5-10-12(16)8-9-4-1-2-7-15(9)13(10)11/h1-8H/p+1
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n/an/a 3.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of casein kinase I

Bioorg Med Chem Lett 7: 961-964 (1997)


Article DOI: 10.1016/S0960-894X(97)00127-3
BindingDB Entry DOI: 10.7270/Q2HM58GZ
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha/delta/epsilon/gamma-1/gamma-2


(Homo sapiens (Human))		BDBM50132310
PNG
(20-ethyl-17,23-dioxa-4,14,20,26-tetraazahexacyclo[...)
Show SMILES CCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:11|
Show InChI InChI=1S/C30H32N4O4/c1-2-32-11-15-37-17-13-33-19-23(21-7-3-5-9-25(21)33)27-28(30(36)31-29(27)35)24-20-34(14-18-38-16-12-32)26-10-6-4-8-22(24)26/h3-10,19-20H,2,11-18H2,1H3,(H,31,35,36)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Casein kinase I

Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair