Found 36 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50172244
(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) | PDB
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| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50172323
(CHEMBL3810252)Show SMILES CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CC[C@H](N)C1 |r| 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 | PDB
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| Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50172249
(CHEMBL3809915)Show SMILES C[C@H](N)CN(C)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O |r| 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 | PDB
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| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50172243
(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) | PDB
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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 Structure (crystal) |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50172250
(CHEMBL3809024)Show SMILES C[C@@H](N)CN(C)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O |r| 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 | PDB
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| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50437434
(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) | PDB
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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 Structure (crystal) |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50172329
(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) | PDB
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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
(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) | PDB
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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
(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) | PDB
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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 Structure (crystal) |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50172252
(CHEMBL3809526)Show SMILES CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CCC[C@H](N)C1 |r| 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 | PDB
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| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50172322
(CHEMBL3809288)Show SMILES CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CC[C@@H](N)C1 |r| 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 | PDB
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| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50172324
(CHEMBL3808583)Show SMILES CN(C)[C@@H]1CCCN(C1)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O |r| 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 | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50172251
(CHEMBL3808817)Show SMILES CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CCC[C@@H](N)C1 |r| 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 | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50172328
(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) | PDB
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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
(CHEMBL3808911)Show SMILES CN(C)[C@H]1CCN(C1)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O |r| 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 | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50172248
(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) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Death-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50172243
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Death-associated protein kinase 3
(Homo sapiens (Human)) | BDBM50172243
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50172330
(CHEMBL3809094)Show SMILES CN(CCN1CC(F)(F)C1)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O Show InChI InChI=1S/C24H27F2N9O/c1-15(36)29-19-9-18(5-6-20(19)33(2)7-8-34-13-24(25,26)14-34)30-21-10-22(31-17-3-4-17)35-23(32-21)16(11-27)12-28-35/h5-6,9-10,12,17,31H,3-4,7-8,13-14H2,1-2H3,(H,29,36)(H,30,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Homeodomain-interacting protein kinase 3
(Homo sapiens (Human)) | BDBM50172243
(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) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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PC sid
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UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Hipk3 (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 | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50172243
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Dyrk1b (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 | |
Homeodomain-interacting protein kinase 4
(Homo sapiens (Human)) | BDBM50172243
(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) | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Hipk4 (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 | |
Dual specificity tyrosine-phosphorylation-regulated kinase 4
(Homo sapiens (Human)) | BDBM50172243
(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) | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Dyrk4 (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 | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50172243
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Dyrk1a (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 | |
Homeodomain-interacting protein kinase 1
(Homo sapiens (Human)) | BDBM50172243
(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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Hipk1 (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 | |
Dual specificity tyrosine-phosphorylation-regulated kinase 2
(Homo sapiens (Human)) | BDBM50172243
(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) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Dyrk2 (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 | |
Dual specificity tyrosine-phosphorylation-regulated kinase 3
(Homo sapiens (Human)) | BDBM50172243
(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) | PDB
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Dyrk3 (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 | |
Homeodomain-interacting protein kinase 2
(Homo sapiens (Human)) | BDBM50172243
(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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Hipk2 (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 | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50172247
(CHEMBL3809764)Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O Show InChI InChI=1S/C23H27N9O/c1-15(33)26-19-11-18(5-6-20(19)31-9-7-30(2)8-10-31)27-21-12-22(28-17-3-4-17)32-23(29-21)16(13-24)14-25-32/h5-6,11-12,14,17,28H,3-4,7-10H2,1-2H3,(H,26,33)(H,27,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50172246
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp 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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50172243
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp 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 | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50437434
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 0.00500 | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50172243
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | n/a | 0.000250 | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to His-tagged recombinant human CK2alpha assessed as dissociation rate |
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 Structure (crystal) |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50172246
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 0.0480 | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50172243
(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) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 0.00600 | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
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