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Compile Data Set for Download or QSAR

Found 73 hits with Last Name = 'kitaura' and Initial = 'k'   
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
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50347610
PNG
(CHEMBL1802990)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1cc3NC(=O)CCc3cc21
Show InChI InChI=1S/C16H11F3N2O/c17-16(18,19)9-2-3-10-11-5-8-1-4-15(22)21-12(8)7-14(11)20-13(10)6-9/h2-3,5-7,20H,1,4H2,(H,21,22)
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n/an/a 31n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50420563
PNG
(CHEMBL2087023)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H14N2O4S/c1-24-14-8-6-12(7-9-14)16(21)20-18-19-10-15(25-18)11-2-4-13(5-3-11)17(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21)
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n/an/a 32n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50347615
PNG
(CHEMBL1803019)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1cc3NC(=O)Cc3cc21
Show InChI InChI=1S/C15H9F3N2O/c16-15(17,18)8-1-2-9-10-3-7-4-14(21)20-11(7)6-13(10)19-12(9)5-8/h1-3,5-6,19H,4H2,(H,20,21)
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n/an/a 37n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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n/an/a 40n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant CK2alpha expressed in Escherichia coli HMS174 (DE3)


Bioorg Med Chem Lett 19: 2920-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.076
BindingDB Entry DOI: 10.7270/Q25B02CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50347609
PNG
(CHEMBL1802989)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1c3CCC(=O)Nc3ccc21
Show InChI InChI=1S/C16H11F3N2O/c17-16(18,19)8-1-2-9-10-3-5-12-11(4-6-14(22)20-12)15(10)21-13(9)7-8/h1-3,5,7,21H,4,6H2,(H,20,22)
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n/an/a 40n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50347616
PNG
(CHEMBL1803020)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1cc3NC(=O)CCCc3cc21
Show InChI InChI=1S/C17H13F3N2O/c18-17(19,20)10-4-5-11-12-6-9-2-1-3-16(23)22-13(9)8-15(12)21-14(11)7-10/h4-8,21H,1-3H2,(H,22,23)
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n/an/a 45n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50420563
PNG
(CHEMBL2087023)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H14N2O4S/c1-24-14-8-6-12(7-9-14)16(21)20-18-19-10-15(25-18)11-2-4-13(5-3-11)17(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21)
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n/an/a 46n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM36350
PNG
(6-[4-(Trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-qu...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)
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n/an/a 46n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50347606
PNG
(CHEMBL1802986)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1cnccc21
Show InChI InChI=1S/C12H7F3N2/c13-12(14,15)7-1-2-8-9-3-4-16-6-11(9)17-10(8)5-7/h1-6,17H
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n/an/a 52n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50347617
PNG
(CHEMBL1803021)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1c3CCCC(=O)Nc3ccc21
Show InChI InChI=1S/C17H13F3N2O/c18-17(19,20)9-4-5-10-11-6-7-13-12(2-1-3-15(23)21-13)16(11)22-14(10)8-9/h4-8,22H,1-3H2,(H,21,23)
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n/an/a 58n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50420565
PNG
(CHEMBL2087025)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H15N3O4/c1-25-14-8-6-12(7-9-14)17(22)19-16-10-15(20-21-16)11-2-4-13(5-3-11)18(23)24/h2-10H,1H3,(H,23,24)(H2,19,20,21,22)
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n/an/a 63n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50347612
PNG
(CHEMBL1803016)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1ccc3NC(=O)CCc3c21
Show InChI InChI=1S/C16H11F3N2O/c17-16(18,19)8-1-2-10-13(7-8)20-12-5-4-11-9(15(10)12)3-6-14(22)21-11/h1-2,4-5,7,20H,3,6H2,(H,21,22)
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n/an/a 84n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50347613
PNG
(CHEMBL1803017)
Show SMILES NC(=O)Nc1ccc2c(c1)[nH]c1cc(ccc21)C(F)(F)F
Show InChI InChI=1S/C14H10F3N3O/c15-14(16,17)7-1-3-9-10-4-2-8(19-13(18)21)6-12(10)20-11(9)5-7/h1-6,20H,(H3,18,19,21)
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n/an/a 85n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50347607
PNG
(CHEMBL1802987)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1ccncc21
Show InChI InChI=1S/C12H7F3N2/c13-12(14,15)7-1-2-8-9-6-16-4-3-10(9)17-11(8)5-7/h1-6,17H
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n/an/a 95n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50220185
PNG
(1-(3-fluoro-4'-(trifluoromethyl)biphenyl-4-yl)urea...)
Show SMILES NC(=O)Nc1ccc(cc1F)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H10F4N2O/c15-11-7-9(3-6-12(11)20-13(19)21)8-1-4-10(5-2-8)14(16,17)18/h1-7H,(H3,19,20,21)
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Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50420562
PNG
(CHEMBL2048144)
Show SMILES OC(=O)Cc1ccn(c1)-c1cncc(n1)-n1ncc2ccc(NC3CCCC3)cc12
Show InChI InChI=1S/C22H22N6O2/c29-22(30)9-15-7-8-27(14-15)20-12-23-13-21(26-20)28-19-10-18(6-5-16(19)11-24-28)25-17-3-1-2-4-17/h5-8,10-14,17,25H,1-4,9H2,(H,29,30)
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n/an/a 110n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50347614
PNG
(CHEMBL1803018)
Show SMILES NC(=O)Nc1ccc2[nH]c3cc(ccc3c2c1)C(F)(F)F
Show InChI InChI=1S/C14H10F3N3O/c15-14(16,17)7-1-3-9-10-6-8(19-13(18)21)2-4-11(10)20-12(9)5-7/h1-6,20H,(H3,18,19,21)
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Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50420565
PNG
(CHEMBL2087025)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H15N3O4/c1-25-14-8-6-12(7-9-14)17(22)19-16-10-15(20-21-16)11-2-4-13(5-3-11)18(23)24/h2-10H,1H3,(H,23,24)(H2,19,20,21,22)
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n/an/a 140n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50220162
PNG
(CHEMBL243883 | N-[4'-(trifluoromethyl)-4-biphenyly...)
Show SMILES NC(=O)Nc1ccc(cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N2O/c15-14(16,17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)19-13(18)20/h1-8H,(H3,18,19,20)
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Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50347618
PNG
(CHEMBL1803022)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1cc3[nH]ccc3cc21
Show InChI InChI=1S/C15H9F3N2/c16-15(17,18)9-1-2-10-11-5-8-3-4-19-12(8)7-14(11)20-13(10)6-9/h1-7,19-20H
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n/an/a 170n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50347611
PNG
(CHEMBL1802991)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1cc3CCC(=O)Nc3cc21
Show InChI InChI=1S/C16H11F3N2O/c17-16(18,19)9-2-3-10-11-7-12-8(1-4-15(22)21-12)5-13(11)20-14(10)6-9/h2-3,5-7,20H,1,4H2,(H,21,22)
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n/an/a 180n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50420562
PNG
(CHEMBL2048144)
Show SMILES OC(=O)Cc1ccn(c1)-c1cncc(n1)-n1ncc2ccc(NC3CCCC3)cc12
Show InChI InChI=1S/C22H22N6O2/c29-22(30)9-15-7-8-27(14-15)20-12-23-13-21(26-20)28-19-10-18(6-5-16(19)11-24-28)25-17-3-1-2-4-17/h5-8,10-14,17,25H,1-4,9H2,(H,29,30)
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n/an/a 190n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50322579
PNG
(2-(trifluoromethyl)-9H-carbazole | CHEMBL1173704)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C13H8F3N/c14-13(15,16)8-5-6-10-9-3-1-2-4-11(9)17-12(10)7-8/h1-7,17H
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n/an/a 210n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50347608
PNG
(CHEMBL1802988)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1cccnc21
Show InChI InChI=1S/C12H7F3N2/c13-12(14,15)7-3-4-8-10(6-7)17-9-2-1-5-16-11(8)9/h1-6,17H
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n/an/a 330n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM11319
PNG
((5-oxo-5,6-dihydroindolo[1,2-a]quinazolin-7-yl)ace...)
Show SMILES OC(=O)Cc1c2ccccc2n2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C17H12N2O3/c20-15(21)9-12-10-5-1-3-7-13(10)19-14-8-4-2-6-11(14)17(22)18-16(12)19/h1-8H,9H2,(H,18,22)(H,20,21)
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n/an/a 390n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant CK2alpha expressed in Escherichia coli HMS174 (DE3)


Bioorg Med Chem Lett 19: 2920-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.076
BindingDB Entry DOI: 10.7270/Q25B02CC
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/a 800n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant CK2alpha expressed in Escherichia coli HMS174 (DE3)


Bioorg Med Chem Lett 19: 2920-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.076
BindingDB Entry DOI: 10.7270/Q25B02CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM11323
PNG
(4,5,6,7-tetrabromo-1H-1,2,3-benzotriazole | 4,5,6,...)
Show SMILES Brc1c(Br)c(Br)c2[nH]nnc2c1Br
Show InChI InChI=1S/C6HBr4N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13)
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n/an/a 900n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant CK2alpha expressed in Escherichia coli HMS174 (DE3)


Bioorg Med Chem Lett 19: 2920-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.076
BindingDB Entry DOI: 10.7270/Q25B02CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50420549
PNG
(CHEMBL2087008)
Show SMILES COc1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C17H13N3O4S/c1-24-13-8-6-10(7-9-13)14(21)18-17-20-19-15(25-17)11-2-4-12(5-3-11)16(22)23/h2-9H,1H3,(H,22,23)(H,18,20,21)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50420553
PNG
(CHEMBL2087013)
Show SMILES OC(=O)c1ccc(cc1)-c1nnc(NC(=O)C2CC2)s1
Show InChI InChI=1S/C13H11N3O3S/c17-10(7-1-2-7)14-13-16-15-11(20-13)8-3-5-9(6-4-8)12(18)19/h3-7H,1-2H2,(H,18,19)(H,14,16,17)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50420548
PNG
(CHEMBL2087007)
Show SMILES OC(=O)c1ccc(cc1)-c1nnc(NC(=O)c2ccc(F)cc2)s1
Show InChI InChI=1S/C16H10FN3O3S/c17-12-7-5-9(6-8-12)13(21)18-16-20-19-14(24-16)10-1-3-11(4-2-10)15(22)23/h1-8H,(H,22,23)(H,18,20,21)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50420551
PNG
(CHEMBL2087010)
Show SMILES OC(=O)c1ccc(cc1)-c1nnc(NC(=O)c2ccco2)s1
Show InChI InChI=1S/C14H9N3O4S/c18-11(10-2-1-7-21-10)15-14-17-16-12(22-14)8-3-5-9(6-4-8)13(19)20/h1-7H,(H,19,20)(H,15,17,18)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant CK2alpha expressed in Escherichia coli HMS174 (DE3)


Bioorg Med Chem Lett 19: 2920-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.076
BindingDB Entry DOI: 10.7270/Q25B02CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50420561
PNG
(CHEMBL2087022)
Show SMILES CCCCCCOC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C16H19N3O4S/c1-2-3-4-5-10-23-16(22)17-15-19-18-13(24-15)11-6-8-12(9-7-11)14(20)21/h6-9H,2-5,10H2,1H3,(H,20,21)(H,17,19,22)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50420544
PNG
(CHEMBL2087021)
Show SMILES CCCCCOC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C15H17N3O4S/c1-2-3-4-9-22-15(21)16-14-18-17-12(23-14)10-5-7-11(8-6-10)13(19)20/h5-8H,2-4,9H2,1H3,(H,19,20)(H,16,18,21)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50420556
PNG
(CHEMBL2087016)
Show SMILES OC(=O)c1ccc(cc1)-c1nnc(NC(=O)OCC=C)s1
Show InChI InChI=1S/C13H11N3O4S/c1-2-7-20-13(19)14-12-16-15-10(21-12)8-3-5-9(6-4-8)11(17)18/h2-6H,1,7H2,(H,17,18)(H,14,16,19)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50420543
PNG
(CHEMBL2087011)
Show SMILES OCC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C11H9N3O4S/c15-5-8(16)12-11-14-13-9(19-11)6-1-3-7(4-2-6)10(17)18/h1-4,15H,5H2,(H,17,18)(H,12,14,16)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50420554
PNG
(CHEMBL2087014)
Show SMILES C\C=C(/C)C(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C14H13N3O3S/c1-3-8(2)11(18)15-14-17-16-12(21-14)9-4-6-10(7-5-9)13(19)20/h3-7H,1-2H3,(H,19,20)(H,15,17,18)/b8-3+
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n/an/a 2.90E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50420557
PNG
(CHEMBL2087017)
Show SMILES CCCOC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C13H13N3O4S/c1-2-7-20-13(19)14-12-16-15-10(21-12)8-3-5-9(6-4-8)11(17)18/h3-6H,2,7H2,1H3,(H,17,18)(H,14,16,19)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50420559
PNG
(CHEMBL2087019)
Show SMILES CCCCOC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C14H15N3O4S/c1-2-3-8-21-14(20)15-13-17-16-11(22-13)9-4-6-10(7-5-9)12(18)19/h4-7H,2-3,8H2,1H3,(H,18,19)(H,15,17,20)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50420547
PNG
(CHEMBL2087006)
Show SMILES OC(=O)c1ccc(cc1)-c1nnc(NC(=O)c2ccccc2)s1
Show InChI InChI=1S/C16H11N3O3S/c20-13(10-4-2-1-3-5-10)17-16-19-18-14(23-16)11-6-8-12(9-7-11)15(21)22/h1-9H,(H,21,22)(H,17,19,20)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50420549
PNG
(CHEMBL2087008)
Show SMILES COc1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C17H13N3O4S/c1-24-13-8-6-10(7-9-13)14(21)18-17-20-19-15(25-17)11-2-4-12(5-3-11)16(22)23/h2-9H,1H3,(H,22,23)(H,18,20,21)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50420554
PNG
(CHEMBL2087014)
Show SMILES C\C=C(/C)C(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C14H13N3O3S/c1-3-8(2)11(18)15-14-17-16-12(21-14)9-4-6-10(7-5-9)13(19)20/h3-7H,1-2H3,(H,19,20)(H,15,17,18)/b8-3+
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n/an/a 3.60E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50420553
PNG
(CHEMBL2087013)
Show SMILES OC(=O)c1ccc(cc1)-c1nnc(NC(=O)C2CC2)s1
Show InChI InChI=1S/C13H11N3O3S/c17-10(7-1-2-7)14-13-16-15-11(20-13)8-3-5-9(6-4-8)12(18)19/h3-7H,1-2H2,(H,18,19)(H,14,16,17)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50420555
PNG
(CHEMBL2087015)
Show SMILES COCCOC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C13H13N3O5S/c1-20-6-7-21-13(19)14-12-16-15-10(22-12)8-2-4-9(5-3-8)11(17)18/h2-5H,6-7H2,1H3,(H,17,18)(H,14,16,19)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50420552
PNG
(CHEMBL2087012)
Show SMILES COCC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C12H11N3O4S/c1-19-6-9(16)13-12-15-14-10(20-12)7-2-4-8(5-3-7)11(17)18/h2-5H,6H2,1H3,(H,17,18)(H,13,15,16)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50420547
PNG
(CHEMBL2087006)
Show SMILES OC(=O)c1ccc(cc1)-c1nnc(NC(=O)c2ccccc2)s1
Show InChI InChI=1S/C16H11N3O3S/c20-13(10-4-2-1-3-5-10)17-16-19-18-14(23-16)11-6-8-12(9-7-11)15(21)22/h1-9H,(H,21,22)(H,17,19,20)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50420544
PNG
(CHEMBL2087021)
Show SMILES CCCCCOC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C15H17N3O4S/c1-2-3-4-9-22-15(21)16-14-18-17-12(23-14)10-5-7-11(8-6-10)13(19)20/h5-8H,2-4,9H2,1H3,(H,19,20)(H,16,18,21)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50420551
PNG
(CHEMBL2087010)
Show SMILES OC(=O)c1ccc(cc1)-c1nnc(NC(=O)c2ccco2)s1
Show InChI InChI=1S/C14H9N3O4S/c18-11(10-2-1-7-21-10)15-14-17-16-12(22-14)8-3-5-9(6-4-8)13(19)20/h1-7H,(H,19,20)(H,15,17,18)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50420560
PNG
(CHEMBL2087020)
Show SMILES CC(C)COC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C14H15N3O4S/c1-8(2)7-21-14(20)15-13-17-16-11(22-13)9-3-5-10(6-4-9)12(18)19/h3-6,8H,7H2,1-2H3,(H,18,19)(H,15,17,20)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50420543
PNG
(CHEMBL2087011)
Show SMILES OCC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C11H9N3O4S/c15-5-8(16)12-11-14-13-9(19-11)6-1-3-7(4-2-6)10(17)18/h1-4,15H,5H2,(H,17,18)(H,12,14,16)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
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