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Compile Data Set for Download or QSAR

Found 314 hits with Last Name = 'pontz' and Initial = 't'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353767
PNG
(CHEMBL1829430)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H31N5O2S/c1-4-22(31(16-8-15-28)26(33)21-13-11-18(2)12-14-21)24-29-25-23(19(3)30-35-25)27(34)32(24)17-20-9-6-5-7-10-20/h5-7,9-14,22H,4,8,15-17,28H2,1-3H3
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353788
PNG
(CHEMBL1829433)
Show SMILES CC(C)C(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C28H33N5O2S/c1-18(2)24(32(16-8-15-29)27(34)22-13-11-19(3)12-14-22)25-30-26-23(20(4)31-36-26)28(35)33(25)17-21-9-6-5-7-10-21/h5-7,9-14,18,24H,8,15-17,29H2,1-4H3
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50460945
PNG
(CHEMBL4225287)
Show SMILES CC(C)Nc1ccc2ccn(-c3cncc(n3)-c3ccc(cc3)C(O)=O)c2c1
Show InChI InChI=1S/C22H20N4O2/c1-14(2)24-18-8-7-16-9-10-26(20(16)11-18)21-13-23-12-19(25-21)15-3-5-17(6-4-15)22(27)28/h3-14,24H,1-2H3,(H,27,28)
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged CK2alpha expressed in Sf21 insect cells using CK2tide as substrate treated for 20 ...


Bioorg Med Chem Lett 28: 1336-1341 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.018
BindingDB Entry DOI: 10.7270/Q2DB84H6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353767
PNG
(CHEMBL1829430)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H31N5O2S/c1-4-22(31(16-8-15-28)26(33)21-13-11-18(2)12-14-21)24-29-25-23(19(3)30-35-25)27(34)32(24)17-20-9-6-5-7-10-20/h5-7,9-14,22H,4,8,15-17,28H2,1-3H3
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
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/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged CK2alpha expressed in Sf21 insect cells using CK2tide as substrate treated for 20 ...


Bioorg Med Chem Lett 28: 1336-1341 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.018
BindingDB Entry DOI: 10.7270/Q2DB84H6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Homeodomain-interacting protein kinase 2 (HIPK2)


(Homo sapiens (Human))
BDBM50460939
PNG
(CHEMBL4228654)
Show SMILES CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3ccc(cc3)C(O)=O)c2c1
Show InChI InChI=1S/C21H19N5O2/c1-13(2)24-17-8-7-16-10-23-26(19(16)9-17)20-12-22-11-18(25-20)14-3-5-15(6-4-14)21(27)28/h3-13,24H,1-2H3,(H,27,28)
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of HIPK2 (unknown origin)


Bioorg Med Chem Lett 28: 1336-1341 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.018
BindingDB Entry DOI: 10.7270/Q2DB84H6
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/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged CK2alpha expressed in Sf21 insect cells using CK2tide as substrate treated for 20 ...


Bioorg Med Chem Lett 28: 1336-1341 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.018
BindingDB Entry DOI: 10.7270/Q2DB84H6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50460939
PNG
(CHEMBL4228654)
Show SMILES CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3ccc(cc3)C(O)=O)c2c1
Show InChI InChI=1S/C21H19N5O2/c1-13(2)24-17-8-7-16-10-23-26(19(16)9-17)20-12-22-11-18(25-20)14-3-5-15(6-4-14)21(27)28/h3-13,24H,1-2H3,(H,27,28)
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin)


Bioorg Med Chem Lett 28: 1336-1341 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.018
BindingDB Entry DOI: 10.7270/Q2DB84H6
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50172244
PNG
(CHEMBL3810020)
Show SMILES CN(CCN1CCOCC1)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O
Show InChI InChI=1S/C25H31N9O2/c1-17(35)28-21-13-20(5-6-22(21)32(2)7-8-33-9-11-36-12-10-33)29-23-14-24(30-19-3-4-19)34-25(31-23)18(15-26)16-27-34/h5-6,13-14,16,19,30H,3-4,7-12H2,1-2H3,(H,28,35)(H,29,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal 6xHis-tagged recombinant human CK2alpha expressed in fall armyworm Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 a...


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
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/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal 6xHis-tagged recombinant human CK2alpha expressed in fall armyworm Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 a...


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))
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/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal 6xHis-tagged recombinant human CK2alpha expressed in fall armyworm Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 a...


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))
BDBM50172249
PNG
(CHEMBL3809915)
Show SMILES C[C@H](N)CN(C)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O
Show InChI InChI=1S/C22H27N9O/c1-13(24)12-30(3)19-7-6-17(8-18(19)26-14(2)32)27-20-9-21(28-16-4-5-16)31-22(29-20)15(10-23)11-25-31/h6-9,11,13,16,28H,4-5,12,24H2,1-3H3,(H,26,32)(H,27,29)/t13-/m0/s1
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal 6xHis-tagged recombinant human CK2alpha expressed in fall armyworm Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 a...


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
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50172250
PNG
(CHEMBL3809024)
Show SMILES C[C@@H](N)CN(C)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O
Show InChI InChI=1S/C22H27N9O/c1-13(24)12-30(3)19-7-6-17(8-18(19)26-14(2)32)27-20-9-21(28-16-4-5-16)31-22(29-20)15(10-23)11-25-31/h6-9,11,13,16,28H,4-5,12,24H2,1-3H3,(H,26,32)(H,27,29)/t13-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal 6xHis-tagged recombinant human CK2alpha expressed in fall armyworm Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 a...


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
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50172252
PNG
(CHEMBL3809526)
Show SMILES CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CCC[C@H](N)C1
Show InChI InChI=1S/C23H27N9O/c1-14(33)27-19-9-18(6-7-20(19)31-8-2-3-16(25)13-31)28-21-10-22(29-17-4-5-17)32-23(30-21)15(11-24)12-26-32/h6-7,9-10,12,16-17,29H,2-5,8,13,25H2,1H3,(H,27,33)(H,28,30)/t16-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal 6xHis-tagged recombinant human CK2alpha expressed in fall armyworm Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 a...


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
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50172322
PNG
(CHEMBL3809288)
Show SMILES CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CC[C@@H](N)C1
Show InChI InChI=1S/C22H25N9O/c1-13(32)26-18-8-17(4-5-19(18)30-7-6-15(24)12-30)27-20-9-21(28-16-2-3-16)31-22(29-20)14(10-23)11-25-31/h4-5,8-9,11,15-16,28H,2-3,6-7,12,24H2,1H3,(H,26,32)(H,27,29)/t15-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal 6xHis-tagged recombinant human CK2alpha expressed in fall armyworm Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 a...


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
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50172323
PNG
(CHEMBL3810252)
Show SMILES CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CC[C@H](N)C1
Show InChI InChI=1S/C22H25N9O/c1-13(32)26-18-8-17(4-5-19(18)30-7-6-15(24)12-30)27-20-9-21(28-16-2-3-16)31-22(29-20)14(10-23)11-25-31/h4-5,8-9,11,15-16,28H,2-3,6-7,12,24H2,1H3,(H,26,32)(H,27,29)/t15-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal 6xHis-tagged recombinant human CK2alpha expressed in fall armyworm Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 a...


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
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50172327
PNG
(CHEMBL3808860)
Show SMILES CCN(CCN)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O
Show InChI InChI=1S/C22H27N9O/c1-3-30(9-8-23)19-7-6-17(10-18(19)26-14(2)32)27-20-11-21(28-16-4-5-16)31-22(29-20)15(12-24)13-25-31/h6-7,10-11,13,16,28H,3-5,8-9,23H2,1-2H3,(H,26,32)(H,27,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal 6xHis-tagged recombinant human CK2alpha expressed in fall armyworm Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 a...


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
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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal 6xHis-tagged recombinant human CK2alpha expressed in fall armyworm Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 a...


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))
BDBM50172329
PNG
(CHEMBL3809011)
Show SMILES CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1NCCCO
Show InChI InChI=1S/C21H24N8O2/c1-13(31)25-18-9-16(5-6-17(18)23-7-2-8-30)26-19-10-20(27-15-3-4-15)29-21(28-19)14(11-22)12-24-29/h5-6,9-10,12,15,23,27,30H,2-4,7-8H2,1H3,(H,25,31)(H,26,28)
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal 6xHis-tagged recombinant human CK2alpha expressed in fall armyworm Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 a...


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
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353799
PNG
(CHEMBL1829424)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2sccc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H30N4O2S/c1-3-23(30(16-7-15-28)26(32)21-12-10-19(2)11-13-21)24-29-25-22(14-17-34-25)27(33)31(24)18-20-8-5-4-6-9-20/h4-6,8-14,17,23H,3,7,15-16,18,28H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50388781
PNG
(CHEMBL2062585)
Show SMILES CC(=O)Nc1ccc2n(CCC(O)=O)cc(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
Show InChI InChI=1S/C23H21N7O3/c1-13(31)26-16-4-5-20-17(8-16)18(12-29(20)7-6-22(32)33)19-9-21(27-15-2-3-15)30-23(28-19)14(10-24)11-25-30/h4-5,8-9,11-12,15,27H,2-3,6-7H2,1H3,(H,26,31)(H,32,33)
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged CK2alpha expressed in Sf21 insect cells using CK2tide as substrate treated for 20 ...


Bioorg Med Chem Lett 28: 1336-1341 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.018
BindingDB Entry DOI: 10.7270/Q2DB84H6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50388788
PNG
(CHEMBL2062566)
Show SMILES CC(=O)Nc1ccc2CCN(c2c1)c1cc(NC2CC2)n2ncc(C#N)c2n1
Show InChI InChI=1S/C20H19N7O/c1-12(28)23-16-3-2-13-6-7-26(17(13)8-16)18-9-19(24-15-4-5-15)27-20(25-18)14(10-21)11-22-27/h2-3,8-9,11,15,24H,4-7H2,1H3,(H,23,28)
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminus His-tagged human CK2alpha expressed in insect Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 as substrate after 20 ...


ACS Med Chem Lett 3: 278-283 (2012)


Article DOI: 10.1021/ml200257n
BindingDB Entry DOI: 10.7270/Q23N24GS
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50172324
PNG
(CHEMBL3808583)
Show SMILES CN(C)[C@@H]1CCCN(C1)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O
Show InChI InChI=1S/C25H31N9O/c1-16(35)28-21-11-19(8-9-22(21)33-10-4-5-20(15-33)32(2)3)29-23-12-24(30-18-6-7-18)34-25(31-23)17(13-26)14-27-34/h8-9,11-12,14,18,20,30H,4-7,10,15H2,1-3H3,(H,28,35)(H,29,31)/t20-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal 6xHis-tagged recombinant human CK2alpha expressed in fall armyworm Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 a...


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
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50388805
PNG
(CHEMBL2062571)
Show SMILES CC(=O)Nc1ccc2ccn(-c3cc(NC4COC4)n4ncc(C#N)c4n3)c2c1
Show InChI InChI=1S/C20H17N7O2/c1-12(28)23-15-3-2-13-4-5-26(17(13)6-15)18-7-19(24-16-10-29-11-16)27-20(25-18)14(8-21)9-22-27/h2-7,9,16,24H,10-11H2,1H3,(H,23,28)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminus His-tagged human CK2alpha expressed in insect Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 as substrate after 20 ...


ACS Med Chem Lett 3: 278-283 (2012)


Article DOI: 10.1021/ml200257n
BindingDB Entry DOI: 10.7270/Q23N24GS
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50460949
PNG
(CHEMBL4227817)
Show SMILES CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3ccc(cc3F)C(O)=O)c2c1
Show InChI InChI=1S/C21H18FN5O2/c1-12(2)25-15-5-3-14-9-24-27(19(14)8-15)20-11-23-10-18(26-20)16-6-4-13(21(28)29)7-17(16)22/h3-12,25H,1-2H3,(H,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged CK2alpha expressed in Sf21 insect cells using CK2tide as substrate treated for 20 ...


Bioorg Med Chem Lett 28: 1336-1341 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.018
BindingDB Entry DOI: 10.7270/Q2DB84H6
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50460939
PNG
(CHEMBL4228654)
Show SMILES CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3ccc(cc3)C(O)=O)c2c1
Show InChI InChI=1S/C21H19N5O2/c1-13(2)24-17-8-7-16-10-23-26(19(16)9-17)20-12-22-11-18(25-20)14-3-5-15(6-4-14)21(27)28/h3-13,24H,1-2H3,(H,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged CK2alpha expressed in Sf21 insect cells using CK2tide as substrate treated for 20 ...


Bioorg Med Chem Lett 28: 1336-1341 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.018
BindingDB Entry DOI: 10.7270/Q2DB84H6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353820
PNG
(CHEMBL1829432)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2c(C)nsc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H31N5O2S/c1-4-22(31(16-8-15-28)26(33)21-13-11-18(2)12-14-21)25-29-23-19(3)30-35-24(23)27(34)32(25)17-20-9-6-5-7-10-20/h5-7,9-14,22H,4,8,15-17,28H2,1-3H3
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (CSF1R)


(Homo sapiens (Human))
BDBM50256750
PNG
(CHEMBL475817 | N-(6-amino-5-chloropyridin-3-yl)-2-...)
Show SMILES Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O2/c21-15-5-4-12(28-18(30)10-2-1-3-11(6-10)20(23,24)25)7-14(15)19(31)29-13-8-16(22)17(26)27-9-13/h1-9H,(H2,26,27)(H,28,30)(H,29,31)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
BindingDB Entry DOI: 10.7270/Q2222TMP
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50172251
PNG
(CHEMBL3808817)
Show SMILES CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CCC[C@@H](N)C1
Show InChI InChI=1S/C23H27N9O/c1-14(33)27-19-9-18(6-7-20(19)31-8-2-3-16(25)13-31)28-21-10-22(29-17-4-5-17)32-23(30-21)15(11-24)12-26-32/h6-7,9-10,12,16-17,29H,2-5,8,13,25H2,1H3,(H,27,33)(H,28,30)/t16-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal 6xHis-tagged recombinant human CK2alpha expressed in fall armyworm Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 a...


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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50256750
PNG
(CHEMBL475817 | N-(6-amino-5-chloropyridin-3-yl)-2-...)
Show SMILES Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O2/c21-15-5-4-12(28-18(30)10-2-1-3-11(6-10)20(23,24)25)7-14(15)19(31)29-13-8-16(22)17(26)27-9-13/h1-9H,(H2,26,27)(H,28,30)(H,29,31)
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
BindingDB Entry DOI: 10.7270/Q2222TMP
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50437435
PNG
(CHEMBL2409173)
Show SMILES CC(=O)N1CCc2ccc(Nc3cc(NC4CC4)n4ncc(C#N)c4n3)cc12
Show InChI InChI=1S/C20H19N7O/c1-12(28)26-7-6-13-2-3-16(8-17(13)26)23-18-9-19(24-15-4-5-15)27-20(25-18)14(10-21)11-22-27/h2-3,8-9,11,15,24H,4-7H2,1H3,(H,23,25)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6X-tagged recombinant human full length casein kinase-2alpha expressed in SF21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 as ...


ACS Med Chem Lett 4: 800-5 (2013)


Article DOI: 10.1021/ml400197u
BindingDB Entry DOI: 10.7270/Q20R9QT2
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50172328
PNG
(CHEMBL3810318)
Show SMILES CN(C)CCCN(C)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O
Show InChI InChI=1S/C24H31N9O/c1-16(34)27-20-12-19(8-9-21(20)32(4)11-5-10-31(2)3)28-22-13-23(29-18-6-7-18)33-24(30-22)17(14-25)15-26-33/h8-9,12-13,15,18,29H,5-7,10-11H2,1-4H3,(H,27,34)(H,28,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal 6xHis-tagged recombinant human CK2alpha expressed in fall armyworm Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 a...


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
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50172326
PNG
(CHEMBL3808911)
Show SMILES CN(C)[C@H]1CCN(C1)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O
Show InChI InChI=1S/C24H29N9O/c1-15(34)27-20-10-18(6-7-21(20)32-9-8-19(14-32)31(2)3)28-22-11-23(29-17-4-5-17)33-24(30-22)16(12-25)13-26-33/h6-7,10-11,13,17,19,29H,4-5,8-9,14H2,1-3H3,(H,27,34)(H,28,30)/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal 6xHis-tagged recombinant human CK2alpha expressed in fall armyworm Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 a...


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
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50388794
PNG
(CHEMBL2062579)
Show SMILES CS(=O)(=O)Cc1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
Show InChI InChI=1S/C20H18N6O2S/c1-29(27,28)12-13-2-3-14-6-7-25(17(14)8-13)18-9-19(23-16-4-5-16)26-20(24-18)15(10-21)11-22-26/h2-3,6-9,11,16,23H,4-5,12H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminus His-tagged human CK2alpha expressed in insect Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 as substrate after 20 ...


ACS Med Chem Lett 3: 278-283 (2012)


Article DOI: 10.1021/ml200257n
BindingDB Entry DOI: 10.7270/Q23N24GS
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50460939
PNG
(CHEMBL4228654)
Show SMILES CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3ccc(cc3)C(O)=O)c2c1
Show InChI InChI=1S/C21H19N5O2/c1-13(2)24-17-8-7-16-10-23-26(19(16)9-17)20-12-22-11-18(25-20)14-3-5-15(6-4-14)21(27)28/h3-13,24H,1-2H3,(H,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 28: 1336-1341 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.018
BindingDB Entry DOI: 10.7270/Q2DB84H6
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50460935
PNG
(CHEMBL4224859)
Show SMILES CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3ccc(C(O)=O)c(F)c3)c2c1
Show InChI InChI=1S/C21H18FN5O2/c1-12(2)25-15-5-3-14-9-24-27(19(14)8-15)20-11-23-10-18(26-20)13-4-6-16(21(28)29)17(22)7-13/h3-12,25H,1-2H3,(H,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged CK2alpha expressed in Sf21 insect cells using CK2tide as substrate treated for 20 ...


Bioorg Med Chem Lett 28: 1336-1341 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.018
BindingDB Entry DOI: 10.7270/Q2DB84H6
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50460937
PNG
(CHEMBL4228363)
Show SMILES CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3ccc(cn3)C(O)=O)c2c1
Show InChI InChI=1S/C20H18N6O2/c1-12(2)24-15-5-3-13-9-23-26(18(13)7-15)19-11-21-10-17(25-19)16-6-4-14(8-22-16)20(27)28/h3-12,24H,1-2H3,(H,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged CK2alpha expressed in Sf21 insect cells using CK2tide as substrate treated for 20 ...


Bioorg Med Chem Lett 28: 1336-1341 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.018
BindingDB Entry DOI: 10.7270/Q2DB84H6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353799
PNG
(CHEMBL1829424)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2sccc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H30N4O2S/c1-3-23(30(16-7-15-28)26(32)21-12-10-19(2)11-13-21)24-29-25-22(14-17-34-25)27(33)31(24)18-20-8-5-4-6-9-20/h4-6,8-14,17,23H,3,7,15-16,18,28H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50172248
PNG
(CHEMBL3808764)
Show SMILES CC(=O)Nc1cccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)c1
Show InChI InChI=1S/C18H17N7O/c1-11(26)21-14-3-2-4-15(7-14)22-16-8-17(23-13-5-6-13)25-18(24-16)12(9-19)10-20-25/h2-4,7-8,10,13,23H,5-6H2,1H3,(H,21,26)(H,22,24)
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal 6xHis-tagged recombinant human CK2alpha expressed in fall armyworm Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 a...


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
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50172245
PNG
(CHEMBL3809620)
Show SMILES CCN(CC)CCN(C)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O
Show InChI InChI=1S/C25H33N9O/c1-5-33(6-2)12-11-32(4)22-10-9-20(13-21(22)28-17(3)35)29-23-14-24(30-19-7-8-19)34-25(31-23)18(15-26)16-27-34/h9-10,13-14,16,19,30H,5-8,11-12H2,1-4H3,(H,28,35)(H,29,31)
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal 6xHis-tagged recombinant human CK2alpha expressed in fall armyworm Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 a...


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
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50388786
PNG
(CHEMBL2062563)
Show SMILES CC(=O)Nc1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
Show InChI InChI=1S/C20H17N7O/c1-12(28)23-16-3-2-13-6-7-26(17(13)8-16)18-9-19(24-15-4-5-15)27-20(25-18)14(10-21)11-22-27/h2-3,6-9,11,15,24H,4-5H2,1H3,(H,23,28)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminus His-tagged human CK2alpha expressed in insect Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 as substrate after 20 ...


ACS Med Chem Lett 3: 278-283 (2012)


Article DOI: 10.1021/ml200257n
BindingDB Entry DOI: 10.7270/Q23N24GS
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50388786
PNG
(CHEMBL2062563)
Show SMILES CC(=O)Nc1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
Show InChI InChI=1S/C20H17N7O/c1-12(28)23-16-3-2-13-6-7-26(17(13)8-16)18-9-19(24-15-4-5-15)27-20(25-18)14(10-21)11-22-27/h2-3,6-9,11,15,24H,4-5H2,1H3,(H,23,28)
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6X-tagged recombinant human full length casein kinase-2alpha expressed in SF21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 as ...


ACS Med Chem Lett 4: 800-5 (2013)


Article DOI: 10.1021/ml400197u
BindingDB Entry DOI: 10.7270/Q20R9QT2
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50388785
PNG
(CHEMBL2062577)
Show SMILES CN(C(C)=O)c1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
Show InChI InChI=1S/C21H19N7O/c1-13(29)26(2)17-6-3-14-7-8-27(18(14)9-17)19-10-20(24-16-4-5-16)28-21(25-19)15(11-22)12-23-28/h3,6-10,12,16,24H,4-5H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6X-tagged recombinant human full length casein kinase-2alpha expressed in SF21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 as ...


ACS Med Chem Lett 4: 800-5 (2013)


Article DOI: 10.1021/ml400197u
BindingDB Entry DOI: 10.7270/Q20R9QT2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50460939
PNG
(CHEMBL4228654)
Show SMILES CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3ccc(cc3)C(O)=O)c2c1
Show InChI InChI=1S/C21H19N5O2/c1-13(2)24-17-8-7-16-10-23-26(19(16)9-17)20-12-22-11-18(25-20)14-3-5-15(6-4-14)21(27)28/h3-13,24H,1-2H3,(H,27,28)
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 28: 1336-1341 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.018
BindingDB Entry DOI: 10.7270/Q2DB84H6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353821
PNG
(CHEMBL1829246)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H30N4O2S/c1-3-23(30(16-7-15-28)26(32)21-12-10-19(2)11-13-21)25-29-22-14-17-34-24(22)27(33)31(25)18-20-8-5-4-6-9-20/h4-6,8-14,17,23H,3,7,15-16,18,28H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50388786
PNG
(CHEMBL2062563)
Show SMILES CC(=O)Nc1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
Show InChI InChI=1S/C20H17N7O/c1-12(28)23-16-3-2-13-6-7-26(17(13)8-16)18-9-19(24-15-4-5-15)27-20(25-18)14(10-21)11-22-27/h2-3,6-9,11,15,24H,4-5H2,1H3,(H,23,28)
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged CK2alpha expressed in Sf21 insect cells using CK2tide as substrate treated for 20 ...


Bioorg Med Chem Lett 28: 1336-1341 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.018
BindingDB Entry DOI: 10.7270/Q2DB84H6
More data for this
Ligand-Target Pair
Death-associated protein kinase 3


(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/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Dapk3 (unknown origin) at by quantitative PCR


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
Death-associated protein kinase 2


(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/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Dapk2 (unknown origin) by quantitative PCR


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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50460939
PNG
(CHEMBL4228654)
Show SMILES CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3ccc(cc3)C(O)=O)c2c1
Show InChI InChI=1S/C21H19N5O2/c1-13(2)24-17-8-7-16-10-23-26(19(16)9-17)20-12-22-11-18(25-20)14-3-5-15(6-4-14)21(27)28/h3-13,24H,1-2H3,(H,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


Bioorg Med Chem Lett 28: 1336-1341 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.018
BindingDB Entry DOI: 10.7270/Q2DB84H6
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50388785
PNG
(CHEMBL2062577)
Show SMILES CN(C(C)=O)c1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
Show InChI InChI=1S/C21H19N7O/c1-13(29)26(2)17-6-3-14-7-8-27(18(14)9-17)19-10-20(24-16-4-5-16)28-21(25-19)15(11-22)12-23-28/h3,6-10,12,16,24H,4-5H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminus His-tagged human CK2alpha expressed in insect Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 as substrate after 20 ...


ACS Med Chem Lett 3: 278-283 (2012)


Article DOI: 10.1021/ml200257n
BindingDB Entry DOI: 10.7270/Q23N24GS
More data for this
Ligand-Target Pair
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