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Compile Data Set for Download or QSAR

Found 10082 hits Enz. Inhib. hit(s) with Target = 'Casein kinase I'   
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 II subunit alpha


(Homo sapiens (Human))
BDBM50437434
PNG
(CHEMBL2409175)
Show SMILES CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1C
Show InChI InChI=1S/C19H19N7O/c1-11-3-4-15(7-16(11)22-12(2)27)23-17-8-18(24-14-5-6-14)26-19(25-17)13(9-20)10-21-26/h3-4,7-8,10,14,24H,5-6H2,1-2H3,(H,22,27)(H,23,25)
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n/an/an/a 0.00500n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged recombinant human CK2alpha (6 to 335 residues) after 50 to 116.7 mins by surface plasmon resonance assay


ACS Med Chem Lett 7: 300-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00452
BindingDB Entry DOI: 10.7270/Q2C53NRM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50172243
PNG
(CHEMBL3103192)
Show SMILES CN(CCN)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O
Show InChI InChI=1S/C21H25N9O/c1-13(31)25-17-9-16(5-6-18(17)29(2)8-7-22)26-19-10-20(27-15-3-4-15)30-21(28-19)14(11-23)12-24-30/h5-6,9-10,12,15,27H,3-4,7-8,22H2,1-2H3,(H,25,31)(H,26,28)
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n/an/an/a 0.00600n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged recombinant human CK2alpha (6 to 335 residues) after 50 to 116.7 mins by surface plasmon resonance assay


ACS Med Chem Lett 7: 300-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00452
BindingDB Entry DOI: 10.7270/Q2C53NRM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50010980
PNG
(CHEMBL4089961)
Show SMILES CCN1c2cc(ccc2\C(=C/C=C/C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(O)=O)S(O)(=O)=O |r,c:14|
Show InChI InChI=1S/C28H39ClN4O4S/c1-3-32(4-2)16-17-33(25(35)12-19-37-18-11-21-6-5-7-23(29)20-21)15-14-30-13-10-22-8-9-24(34)26-27(22)38-28(36)31-26/h5-9,20,30,34H,3-4,10-19H2,1-2H3,(H,31,36)
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n/an/an/a 0.0160n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50010980
PNG
(CHEMBL4089961)
Show SMILES CCN1c2cc(ccc2\C(=C/C=C/C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(O)=O)S(O)(=O)=O |r,c:14|
Show InChI InChI=1S/C28H39ClN4O4S/c1-3-32(4-2)16-17-33(25(35)12-19-37-18-11-21-6-5-7-23(29)20-21)15-14-30-13-10-22-8-9-24(34)26-27(22)38-28(36)31-26/h5-9,20,30,34H,3-4,10-19H2,1-2H3,(H,31,36)
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n/an/an/a 0.0160n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50010942
PNG
(CHEMBL4077554)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C28H40N4O5S/c1-3-31(4-2)16-17-32(25(35)13-19-37-18-12-21-8-6-5-7-9-21)15-14-29-20-24(34)22-10-11-23(33)26-27(22)38-28(36)30-26/h5-11,24,29,33-34H,3-4,12-20H2,1-2H3,(H,30,36)/t24-/m0/s1
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n/an/an/a 0.0370n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50010942
PNG
(CHEMBL4077554)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C28H40N4O5S/c1-3-31(4-2)16-17-32(25(35)13-19-37-18-12-21-8-6-5-7-9-21)15-14-29-20-24(34)22-10-11-23(33)26-27(22)38-28(36)30-26/h5-11,24,29,33-34H,3-4,12-20H2,1-2H3,(H,30,36)/t24-/m0/s1
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University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50172246
PNG
(CHEMBL3103191)
Show SMILES CN(C)CCN(C)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O
Show InChI InChI=1S/C23H29N9O/c1-15(33)26-19-11-18(7-8-20(19)31(4)10-9-30(2)3)27-21-12-22(28-17-5-6-17)32-23(29-21)16(13-24)14-25-32/h7-8,11-12,14,17,28H,5-6,9-10H2,1-4H3,(H,26,33)(H,27,29)
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n/an/an/a 0.0480n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged recombinant human CK2alpha (6 to 335 residues) after 50 to 116.7 mins by surface plasmon resonance assay


ACS Med Chem Lett 7: 300-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00452
BindingDB Entry DOI: 10.7270/Q2C53NRM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50040717
PNG
(CHEMBL4099729)
Show SMILES NCCCC[C@H](NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C18H15N5O2/c24-14-8-7-13-16-15(17-20-18(25-21-17)10-5-6-10)19-9-22(16)11-3-1-2-4-12(11)23(13)14/h1-4,9-10,13H,5-8H2
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n/an/an/a 0.0933n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50040717
PNG
(CHEMBL4099729)
Show SMILES NCCCC[C@H](NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C18H15N5O2/c24-14-8-7-13-16-15(17-20-18(25-21-17)10-5-6-10)19-9-22(16)11-3-1-2-4-12(11)23(13)14/h1-4,9-10,13H,5-8H2
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n/an/an/a 0.0940n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50010975
PNG
(CHEMBL4075338)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCNc1nc2cc(ccc2c2cnccc12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C29H39ClN4O4S/c30-24-6-4-5-22(21-24)10-19-38-20-11-26(36)34(18-17-33-14-2-1-3-15-33)16-13-31-12-9-23-7-8-25(35)27-28(23)39-29(37)32-27/h4-8,21,31,35H,1-3,9-20H2,(H,32,37)
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n/an/an/a 0.162n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50010975
PNG
(CHEMBL4075338)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCNc1nc2cc(ccc2c2cnccc12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C29H39ClN4O4S/c30-24-6-4-5-22(21-24)10-19-38-20-11-26(36)34(18-17-33-14-2-1-3-15-33)16-13-31-12-9-23-7-8-25(35)27-28(23)39-29(37)32-27/h4-8,21,31,35H,1-3,9-20H2,(H,32,37)
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n/an/an/a 0.170n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50450094
PNG
(CHEMBL4162173)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-c1ncc([se;v2]1)-c1ccc(cc1)-[#6](-[#8])=O)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C50H65N11O25Se/c51-14-4-3-6-25(49(85)86)55-43(78)27(17-37(67)68)57-45(80)29(19-39(71)72)59-47(82)31(21-41(75)76)60-46(81)30(20-40(73)74)58-44(79)28(18-38(69)70)56-42(77)26(16-36(65)66)54-34(63)7-2-1-5-15-52-33(62)12-13-35(64)61-50-53-22-32(87-50)23-8-10-24(11-9-23)48(83)84/h8-11,22,25-31H,1-7,12-21,51H2,(H,52,62)(H,54,63)(H,55,78)(H,56,77)(H,57,80)(H,58,79)(H,59,82)(H,60,81)(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H,83,84)(H,85,86)(H,53,61,64)/t25-,26-,27-,28-,29-,30-,31-/m1/s1
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n/an/an/a 0.340n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Displacement of ARC-1504/ARC-1513-5O from CK2alpha (unknown origin) (1 to 335 residues) after 15 to 60 mins by luminescence assay


Bioorg Med Chem 26: 5062-5068 (2018)


Article DOI: 10.1016/j.bmc.2018.09.003
BindingDB Entry DOI: 10.7270/Q26112V7
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(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/an/a 0.380n/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50010943
PNG
(CHEMBL4075701)
Show SMILES CCN1c2cc(ccc2\C(=C/C=C/C=C/C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c12)C(O)=O)S(O)(=O)=O |r,c:16|
Show InChI InChI=1S/C28H39ClN4O5S/c1-3-32(4-2)14-15-33(25(36)11-17-38-16-10-20-6-5-7-21(29)18-20)13-12-30-19-24(35)22-8-9-23(34)26-27(22)39-28(37)31-26/h5-9,18,24,30,34-35H,3-4,10-17,19H2,1-2H3,(H,31,37)/t24-/m0/s1
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n/an/an/a 0.400n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50450092
PNG
(CHEMBL4169451)
Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCCC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)CCCCCNC(=O)CCC(=O)Nc3ncc(s3)-c3ccc(cc3)C(O)=O)C(O)=O)c3ccc(cc3oc2c1)=[N+](C)C |r,wU:68.69,52.53,36.37,24.24,wD:60.61,44.45,28.29,(52.33,-32.38,;53.68,-33.14,;53.69,-34.68,;55,-32.35,;54.98,-30.81,;56.3,-30.03,;57.64,-30.79,;58.96,-30,;58.94,-28.46,;57.59,-27.71,;57.58,-26.17,;58.91,-25.39,;60.24,-26.13,;60.27,-27.67,;61.61,-28.42,;62.69,-27.33,;62.37,-29.75,;58.89,-23.85,;60.22,-23.07,;57.55,-23.1,;57.53,-21.56,;56.19,-20.8,;56.17,-19.26,;54.83,-18.5,;54.81,-16.96,;53.47,-16.21,;52.15,-16.99,;52.16,-18.53,;50.81,-16.24,;50.79,-14.7,;52.11,-13.91,;53.46,-14.67,;52.1,-12.37,;49.48,-17.02,;48.14,-16.27,;48.12,-14.73,;46.81,-17.05,;46.83,-18.59,;48.17,-19.35,;49.5,-18.56,;48.19,-20.89,;45.47,-16.29,;44.15,-17.08,;44.16,-18.62,;42.8,-16.32,;42.79,-14.78,;44.11,-14,;45.45,-14.75,;44.1,-12.46,;41.48,-17.11,;40.14,-16.35,;40.12,-14.81,;38.81,-17.14,;38.83,-18.68,;40.17,-19.43,;41.49,-18.65,;40.19,-20.97,;37.47,-16.38,;36.14,-17.16,;36.16,-18.7,;34.8,-16.41,;34.79,-14.87,;36.11,-14.08,;37.45,-14.84,;36.09,-12.54,;33.48,-17.19,;32.13,-16.44,;32.12,-14.9,;30.81,-17.22,;30.83,-18.76,;32.17,-19.52,;33.49,-18.73,;32.18,-21.06,;29.47,-16.47,;28.14,-17.25,;28.16,-18.79,;26.8,-16.49,;25.47,-17.28,;24.13,-16.52,;22.81,-17.31,;21.47,-16.55,;20.14,-17.34,;18.8,-16.58,;18.78,-15.04,;17.47,-17.36,;16.13,-16.61,;14.81,-17.39,;14.82,-18.93,;13.46,-16.64,;12.14,-17.42,;10.89,-16.51,;9.65,-17.42,;10.12,-18.88,;11.66,-18.88,;9.33,-20.21,;7.79,-20.19,;7,-21.52,;7.76,-22.87,;9.31,-22.88,;10.09,-21.55,;6.98,-24.2,;7.74,-25.54,;5.44,-24.18,;56.14,-16.18,;57.48,-16.94,;56.12,-14.64,;60.3,-30.75,;61.61,-29.97,;62.94,-30.71,;62.97,-32.25,;61.65,-33.03,;60.31,-32.28,;58.99,-33.08,;57.65,-32.32,;56.33,-33.1,;64.31,-33,;64.33,-34.54,;65.63,-32.21,)|
Show InChI InChI=1S/C75H85N13O29S/c1-87(2)39-17-20-42-52(27-39)117-53-28-40(88(3)4)18-21-43(53)64(42)41-19-16-38(26-44(41)73(113)114)65(104)77-25-9-7-10-45(74(115)116)80-67(106)47(30-59(94)95)82-69(108)49(32-61(98)99)84-71(110)51(34-63(102)103)85-70(109)50(33-62(100)101)83-68(107)48(31-60(96)97)81-66(105)46(29-58(92)93)79-56(90)11-6-5-8-24-76-55(89)22-23-57(91)86-75-78-35-54(118-75)36-12-14-37(15-13-36)72(111)112/h12-21,26-28,35,45-51H,5-11,22-25,29-34H2,1-4H3,(H18-,76,77,78,79,80,81,82,83,84,85,86,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116)/t45-,46-,47-,48-,49-,50-,51-/m1/s1
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n/an/an/a 0.400n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Displacement of ARC-1504/ARC-1513-5O from CK2alpha (unknown origin) (1 to 335 residues) after 15 to 60 mins by luminescence assay


Bioorg Med Chem 26: 5062-5068 (2018)


Article DOI: 10.1016/j.bmc.2018.09.003
BindingDB Entry DOI: 10.7270/Q26112V7
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50010971
PNG
(CHEMBL4069112)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C27H38N4O4S/c1-30(2)16-6-17-31(24(33)13-20-35-19-12-21-7-4-3-5-8-21)18-15-28-14-11-22-9-10-23(32)25-26(22)36-27(34)29-25/h3-5,7-10,28,32H,6,11-20H2,1-2H3,(H,29,34)
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n/an/an/a 0.417n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50010971
PNG
(CHEMBL4069112)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C27H38N4O4S/c1-30(2)16-6-17-31(24(33)13-20-35-19-12-21-7-4-3-5-8-21)18-15-28-14-11-22-9-10-23(32)25-26(22)36-27(34)29-25/h3-5,7-10,28,32H,6,11-20H2,1-2H3,(H,29,34)
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n/an/an/a 0.420n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50028301
PNG
(CHEMBL4061407)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c12)C(O)=O |r|
Show InChI InChI=1S/C19H24N2/c1-20(2)14-19-17-12-8-7-11-16(17)18(13-21(19)3)15-9-5-4-6-10-15/h4-12,18-19H,13-14H2,1-3H3
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n/an/an/a 0.5n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50010963
PNG
(CHEMBL4076226)
Show SMILES CCN1c2cc(ccc2\C(=C/C=C/C=C/C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O)S(O)(=O)=O |r,c:16|
Show InChI InChI=1S/C25H34N4O4S/c26-12-4-15-29(22(31)11-18-33-17-10-19-5-2-1-3-6-19)16-14-27-13-9-20-7-8-21(30)23-24(20)34-25(32)28-23/h1-3,5-8,27,30H,4,9-18,26H2,(H,28,32)
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n/an/an/a 0.550n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50010963
PNG
(CHEMBL4076226)
Show SMILES CCN1c2cc(ccc2\C(=C/C=C/C=C/C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O)S(O)(=O)=O |r,c:16|
Show InChI InChI=1S/C25H34N4O4S/c26-12-4-15-29(22(31)11-18-33-17-10-19-5-2-1-3-6-19)16-14-27-13-9-20-7-8-21(30)23-24(20)34-25(32)28-23/h1-3,5-8,27,30H,4,9-18,26H2,(H,28,32)
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n/an/an/a 0.550n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(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/an/a 0.560n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(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/an/a 0.562n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50450096
PNG
(CHEMBL4177303)
Show SMILES NCCCC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)CCCCCNC(=O)CCC(=O)Nc1ncc(s1)-c1ccc(cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C50H65N11O25S/c51-14-4-3-6-25(49(85)86)55-43(78)27(17-37(67)68)57-45(80)29(19-39(71)72)59-47(82)31(21-41(75)76)60-46(81)30(20-40(73)74)58-44(79)28(18-38(69)70)56-42(77)26(16-36(65)66)54-34(63)7-2-1-5-15-52-33(62)12-13-35(64)61-50-53-22-32(87-50)23-8-10-24(11-9-23)48(83)84/h8-11,22,25-31H,1-7,12-21,51H2,(H,52,62)(H,54,63)(H,55,78)(H,56,77)(H,57,80)(H,58,79)(H,59,82)(H,60,81)(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H,83,84)(H,85,86)(H,53,61,64)/t25-,26-,27-,28-,29-,30-,31-/m1/s1
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n/an/an/a 0.580n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Displacement of ARC-1504/ARC-1513-5O from CK2alpha (unknown origin) (1 to 335 residues) after 15 to 60 mins by luminescence assay


Bioorg Med Chem 26: 5062-5068 (2018)


Article DOI: 10.1016/j.bmc.2018.09.003
BindingDB Entry DOI: 10.7270/Q26112V7
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50010978
PNG
(CHEMBL4077233)
Show SMILES NCCCC[C@H](NC(=O)CCCCCCCCn1c2cc(ccc2c2cnccc2c1=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C28H39FN4O4S/c1-3-32(4-2)16-17-33(25(35)12-19-37-18-11-21-6-5-7-23(29)20-21)15-14-30-13-10-22-8-9-24(34)26-27(22)38-28(36)31-26/h5-9,20,30,34H,3-4,10-19H2,1-2H3,(H,31,36)
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n/an/an/a 0.708n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50010978
PNG
(CHEMBL4077233)
Show SMILES NCCCC[C@H](NC(=O)CCCCCCCCn1c2cc(ccc2c2cnccc2c1=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C28H39FN4O4S/c1-3-32(4-2)16-17-33(25(35)12-19-37-18-11-21-6-5-7-23(29)20-21)15-14-30-13-10-22-8-9-24(34)26-27(22)38-28(36)31-26/h5-9,20,30,34H,3-4,10-19H2,1-2H3,(H,31,36)
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n/an/an/a 0.710n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50450095
PNG
(CHEMBL4172847)
Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCCC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)CCCCCNC(=O)CCC(=O)Nc3ncc([se]3)-c3ccc(cc3)C(O)=O)C(O)=O)c3ccc(cc3oc2c1)=[N+](C)C |r|
Show InChI InChI=1S/C75H85N13O29Se/c1-87(2)39-17-20-42-52(27-39)117-53-28-40(88(3)4)18-21-43(53)64(42)41-19-16-38(26-44(41)73(113)114)65(104)77-25-9-7-10-45(74(115)116)80-67(106)47(30-59(94)95)82-69(108)49(32-61(98)99)84-71(110)51(34-63(102)103)85-70(109)50(33-62(100)101)83-68(107)48(31-60(96)97)81-66(105)46(29-58(92)93)79-56(90)11-6-5-8-24-76-55(89)22-23-57(91)86-75-78-35-54(118-75)36-12-14-37(15-13-36)72(111)112/h12-21,26-28,35,45-51H,5-11,22-25,29-34H2,1-4H3,(H18-,76,77,78,79,80,81,82,83,84,85,86,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116)/t45-,46-,47-,48-,49-,50-,51-/m1/s1
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n/an/an/a 0.850n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Displacement of ARC-1504/ARC-1513-5O from CK2alpha (unknown origin) (1 to 335 residues) after 15 to 60 mins by luminescence assay


Bioorg Med Chem 26: 5062-5068 (2018)


Article DOI: 10.1016/j.bmc.2018.09.003
BindingDB Entry DOI: 10.7270/Q26112V7
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50587736
PNG
(CHEBI:8687 | PYRVINIUM | Pyrvinium | Pyrvinium (ca...)
Show SMILES CN(C)c1ccc2[n+](C)c(\C=C\c3cc(C)n(c3C)-c3ccccc3)ccc2c1
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113268
BindingDB Entry DOI: 10.7270/Q2TF029D
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50010973
PNG
(CHEMBL4091080)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C28H39ClN4O4S/c1-3-32(2)15-5-16-33(25(35)12-19-37-18-11-21-6-4-7-23(29)20-21)17-14-30-13-10-22-8-9-24(34)26-27(22)38-28(36)31-26/h4,6-9,20,30,34H,3,5,10-19H2,1-2H3,(H,31,36)
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n/an/an/a 1.60n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50010973
PNG
(CHEMBL4091080)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C28H39ClN4O4S/c1-3-32(2)15-5-16-33(25(35)12-19-37-18-11-21-6-4-7-23(29)20-21)17-14-30-13-10-22-8-9-24(34)26-27(22)38-28(36)31-26/h4,6-9,20,30,34H,3,5,10-19H2,1-2H3,(H,31,36)
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n/an/an/a 1.60n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50054627
PNG
(CHEMBL4070115)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCn1c2cc(ccc2c2cnccc2c1=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H22O4/c1-2-15(13-6-4-3-5-7-13)17-16(21)12-19(23-18(17)22)10-8-14(20)9-11-19/h3-7,15,17H,2,8-12H2,1H3
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n/an/an/a 2.40n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50054627
PNG
(CHEMBL4070115)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCn1c2cc(ccc2c2cnccc2c1=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H22O4/c1-2-15(13-6-4-3-5-7-13)17-16(21)12-19(23-18(17)22)10-8-14(20)9-11-19/h3-7,15,17H,2,8-12H2,1H3
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n/an/an/a 2.40n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50010979
PNG
(CHEMBL4072540)
Show SMILES CCN1c2cc(ccc2\C(=C/C=C/C=C/C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCn1c2cc(ccc2c2cnccc2c1=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O)S(O)(=O)=O |r,c:16|
Show InChI InChI=1S/C29H42N4O5S/c1-4-32(5-2)17-18-33(26(35)13-20-38-19-12-22-7-6-8-24(21-22)37-3)16-15-30-14-11-23-9-10-25(34)27-28(23)39-29(36)31-27/h6-10,21,30,34H,4-5,11-20H2,1-3H3,(H,31,36)
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n/an/an/a 2.40n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50010979
PNG
(CHEMBL4072540)
Show SMILES CCN1c2cc(ccc2\C(=C/C=C/C=C/C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCn1c2cc(ccc2c2cnccc2c1=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O)S(O)(=O)=O |r,c:16|
Show InChI InChI=1S/C29H42N4O5S/c1-4-32(5-2)17-18-33(26(35)13-20-38-19-12-22-7-6-8-24(21-22)37-3)16-15-30-14-11-23-9-10-25(34)27-28(23)39-29(36)31-27/h6-10,21,30,34H,4-5,11-20H2,1-3H3,(H,31,36)
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n/an/an/a 2.40n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50010974
PNG
(CHEMBL4067866)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCn1c2cc(ccc2c2cnccc2c1=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C29H39ClN4O4S/c1-33(24-7-8-24)15-3-16-34(26(36)12-19-38-18-11-21-4-2-5-23(30)20-21)17-14-31-13-10-22-6-9-25(35)27-28(22)39-29(37)32-27/h2,4-6,9,20,24,31,35H,3,7-8,10-19H2,1H3,(H,32,37)
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n/an/an/a 5.90n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50010974
PNG
(CHEMBL4067866)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCn1c2cc(ccc2c2cnccc2c1=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C29H39ClN4O4S/c1-33(24-7-8-24)15-3-16-34(26(36)12-19-38-18-11-21-4-2-5-23(30)20-21)17-14-31-13-10-22-6-9-25(35)27-28(22)39-29(37)32-27/h2,4-6,9,20,24,31,35H,3,7-8,10-19H2,1H3,(H,32,37)
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n/an/an/a 5.90n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM31096
PNG
(CHEMBL290084 | Staurosporine | cid_451705)
Show SMILES CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m0/s1
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n/an/an/a 6.5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21R6NXR
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(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/an/a 6.5n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for full-length CSNK2A2


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM165202
PNG
(US8168651, Compound TABLE 14A.5 | US9062043, Table...)
Show SMILES OC(=O)c1ccc2c(c1)[nH]c(=O)c1ccncc21
Show InChI InChI=1S/C13H8N2O3/c16-12-9-3-4-14-6-10(9)8-2-1-7(13(17)18)5-11(8)15-12/h1-6H,(H,15,16)(H,17,18)
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n/an/an/a 8.90n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM165202
PNG
(US8168651, Compound TABLE 14A.5 | US9062043, Table...)
Show SMILES OC(=O)c1ccc2c(c1)[nH]c(=O)c1ccncc21
Show InChI InChI=1S/C13H8N2O3/c16-12-9-3-4-14-6-10(9)8-2-1-7(13(17)18)5-11(8)15-12/h1-6H,(H,15,16)(H,17,18)
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n/an/an/a 8.90n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)


Article DOI: 10.1016/j.bmc.2017.02.055
BindingDB Entry DOI: 10.7270/Q21G0PRW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50556137
PNG
(CHEMBL4793819)
Show SMILES CC(C)(C)OC(=O)N(CCOCCO)c1ccn2ncc(-c3ccc(C(O)=O)c(O)c3)c2n1
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n/an/an/a 12n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal His6-tagged CK2alpha (1 to 337 residues) (unknown origin) expressed in BL21(DE3) cells by isothermal titration calorim...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112770
BindingDB Entry DOI: 10.7270/Q2DN48PP
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


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



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CSNK1E kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


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



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to CSNK1E


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


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



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for full-length CSNK1E


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


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



Ambit Biosciences

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q228060G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM60665
PNG
(BDBM50249542 | US9145414, R406 | US9212178, R406)
Show SMILES COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)
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n/an/an/a 14n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CSNK2A2 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


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

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PubMed
n/an/an/a 15n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to CSNK1D


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


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



Ambit Biosciences

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2610XQD
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


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



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CSNK1D kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


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



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for full-length CSNK1D


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM36409
PNG
(2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin...)
Show SMILES CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)
PDB

KEGG

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PubMed
n/an/an/a 31n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CSNK1E kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
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