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Compile Data Set for Download or QSAR

Found 123 hits with Last Name = 'lolli' and Initial = 'g'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM92757
PNG
(CX-5279)
Show SMILES [O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C(F)(F)F)c1nc(NC3CC3)ncc21
Show InChI InChI=1S/C22H16F3N5O2/c23-22(24,25)12-2-1-3-14(9-12)27-19-18-16(10-26-21(30-18)28-13-5-6-13)15-7-4-11(20(31)32)8-17(15)29-19/h1-4,7-10,13H,5-6H2,(H,27,29)(H,31,32)(H,26,28,30)/p-1
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n/an/a 0.910n/an/an/an/an/an/a



Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
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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TBA

Assay Description
Inhibition of recombinant human CK2alpha (1 to 336 residues) expressed in Escherichia coli BL21 (DE3) using RRADDSDDDD as substrate incubated for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112267
BindingDB Entry DOI: 10.7270/Q2M330H3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM92755
PNG
(CX-4945)
Show SMILES [O-]C(=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)/p-1
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Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM92756
PNG
(CX-5011)
Show SMILES [O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1ncncc21
Show InChI InChI=1S/C20H12N4O2/c1-2-12-4-3-5-14(8-12)23-19-18-16(10-21-11-22-18)15-7-6-13(20(25)26)9-17(15)24-19/h1,3-11H,(H,23,24)(H,25,26)/p-1
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n/an/a 2.07n/an/an/an/an/an/a



Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM92756
PNG
(CX-5011)
Show SMILES [O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1ncncc21
Show InChI InChI=1S/C20H12N4O2/c1-2-12-4-3-5-14(8-12)23-19-18-16(10-21-11-22-18)15-7-6-13(20(25)26)9-17(15)24-19/h1,3-11H,(H,23,24)(H,25,26)/p-1
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n/an/a 2.30n/an/an/an/an/an/a



Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM92756
PNG
(CX-5011)
Show SMILES [O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1ncncc21
Show InChI InChI=1S/C20H12N4O2/c1-2-12-4-3-5-14(8-12)23-19-18-16(10-21-11-22-18)15-7-6-13(20(25)26)9-17(15)24-19/h1,3-11H,(H,23,24)(H,25,26)/p-1
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n/an/a 2.32n/an/an/an/an/an/a



Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM92756
PNG
(CX-5011)
Show SMILES [O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1ncncc21
Show InChI InChI=1S/C20H12N4O2/c1-2-12-4-3-5-14(8-12)23-19-18-16(10-21-11-22-18)15-7-6-13(20(25)26)9-17(15)24-19/h1,3-11H,(H,23,24)(H,25,26)/p-1
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n/an/a 2.5n/an/an/an/an/an/a



Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM92755
PNG
(CX-4945)
Show SMILES [O-]C(=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)/p-1
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n/an/a 3.51n/an/an/an/an/an/a



Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM92757
PNG
(CX-5279)
Show SMILES [O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C(F)(F)F)c1nc(NC3CC3)ncc21
Show InChI InChI=1S/C22H16F3N5O2/c23-22(24,25)12-2-1-3-14(9-12)27-19-18-16(10-26-21(30-18)28-13-5-6-13)15-7-4-11(20(31)32)8-17(15)29-19/h1-4,7-10,13H,5-6H2,(H,27,29)(H,31,32)(H,26,28,30)/p-1
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n/an/a 12.5n/an/an/an/an/an/a



Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM92755
PNG
(CX-4945)
Show SMILES [O-]C(=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)/p-1
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Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM92757
PNG
(CX-5279)
Show SMILES [O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C(F)(F)F)c1nc(NC3CC3)ncc21
Show InChI InChI=1S/C22H16F3N5O2/c23-22(24,25)12-2-1-3-14(9-12)27-19-18-16(10-26-21(30-18)28-13-5-6-13)15-7-4-11(20(31)32)8-17(15)29-19/h1-4,7-10,13H,5-6H2,(H,27,29)(H,31,32)(H,26,28,30)/p-1
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n/an/a 13.8n/an/an/an/an/an/a



Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM92755
PNG
(CX-4945)
Show SMILES [O-]C(=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)/p-1
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Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM92757
PNG
(CX-5279)
Show SMILES [O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C(F)(F)F)c1nc(NC3CC3)ncc21
Show InChI InChI=1S/C22H16F3N5O2/c23-22(24,25)12-2-1-3-14(9-12)27-19-18-16(10-26-21(30-18)28-13-5-6-13)15-7-4-11(20(31)32)8-17(15)29-19/h1-4,7-10,13H,5-6H2,(H,27,29)(H,31,32)(H,26,28,30)/p-1
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n/an/a 23.4n/an/an/an/an/an/a



Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha 3


(Homo sapiens)
BDBM23451
PNG
(5,14-dihydroxy-8,17-dioxatetracyclo[8.7.0.0^{2,7}....)
Show SMILES Oc1ccc2c(c1)oc1c2c(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
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n/an/a 200n/an/an/an/an/an/a



University of Padua and Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human CK2 using HRRRDDD-SDDD-NH2 as substrate after 30 mins by ADP-Glo reagent based luminescence assay


J Nat Prod 82: 1014-1018 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00889
BindingDB Entry DOI: 10.7270/Q269773G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM92755
PNG
(CX-4945)
Show SMILES [O-]C(=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)/p-1
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n/an/a 216n/an/an/an/an/an/a



Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50564382
PNG
(CHEMBL4795023)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2nnc(Br)s2)ccc1O
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TBA

Assay Description
Inhibition of recombinant human CK2alpha (1 to 336 residues) expressed in Escherichia coli BL21 (DE3) using RRADDSDDDD as substrate incubated for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112267
BindingDB Entry DOI: 10.7270/Q2M330H3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50564384
PNG
(CHEMBL4784643)
Show SMILES Cc1nnc(NC(=O)C(=C\c2ccc(O)c(c2)[N+]([O-])=O)\C#N)s1
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TBA

Assay Description
Inhibition of recombinant human CK2alpha (1 to 336 residues) expressed in Escherichia coli BL21 (DE3) using RRADDSDDDD as substrate incubated for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112267
BindingDB Entry DOI: 10.7270/Q2M330H3
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50564388
PNG
(CHEMBL4776391)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2ccccc2O)ccc1O
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n/an/a 330n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CK2alpha (1 to 336 residues) expressed in Escherichia coli BL21 (DE3) using RRADDSDDDD as substrate incubated for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112267
BindingDB Entry DOI: 10.7270/Q2M330H3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50148270
PNG
(CHEMBL3739699)
Show SMILES CCCOc1ccn2c(cc(-c3ccccc3S(C)(=O)=O)c2c1)C(C)=O
Show InChI InChI=1S/C20H21NO4S/c1-4-11-25-15-9-10-21-18(14(2)22)13-17(19(21)12-15)16-7-5-6-8-20(16)26(3,23)24/h5-10,12-13H,4,11H2,1-3H3
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n/an/a 360n/an/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to His-tagged BRAZ2B (unknown origin) expressed in Escherichia coli BL21(DE3) cells by AlphaScreen assay in presence of ...


J Med Chem 59: 3087-97 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50564381
PNG
(CHEMBL4778120)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2nnc(s2)C(C)(C)C)ccc1O
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TBA

Assay Description
Inhibition of recombinant human CK2alpha (1 to 336 residues) expressed in Escherichia coli BL21 (DE3) using RRADDSDDDD as substrate incubated for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112267
BindingDB Entry DOI: 10.7270/Q2M330H3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50564385
PNG
(CHEMBL4798710)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2nnc(Br)s2)cc1[N+]([O-])=O
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TBA

Assay Description
Inhibition of recombinant human CK2alpha (1 to 336 residues) expressed in Escherichia coli BL21 (DE3) using RRADDSDDDD as substrate incubated for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112267
BindingDB Entry DOI: 10.7270/Q2M330H3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50564387
PNG
(CHEMBL4789806)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2cc(ccc2Cl)C(F)(F)F)ccc1O
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TBA

Assay Description
Inhibition of recombinant human CK2alpha (1 to 336 residues) expressed in Escherichia coli BL21 (DE3) using RRADDSDDDD as substrate incubated for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112267
BindingDB Entry DOI: 10.7270/Q2M330H3
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50252622
PNG
(CHEMBL4070389)
Show SMILES OC(=O)c1cccc(NC(=O)CCNC(=O)CCNCc2ccc(c(Cl)c2)-c2ccccc2)c1
Show InChI InChI=1S/C26H26ClN3O4/c27-23-15-18(9-10-22(23)19-5-2-1-3-6-19)17-28-13-11-24(31)29-14-12-25(32)30-21-8-4-7-20(16-21)26(33)34/h1-10,15-16,28H,11-14,17H2,(H,29,31)(H,30,32)(H,33,34)
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TBA

Assay Description
Inhibition of recombinant human CK2alpha (1 to 336 residues) expressed in Escherichia coli BL21 (DE3) using RRADDSDDDD as substrate incubated for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112267
BindingDB Entry DOI: 10.7270/Q2M330H3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha 3


(Homo sapiens)
BDBM50202318
PNG
((+)-boldine | (S)-(+)-Boldine | (S)-1,10-dimethoxy...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



University of Padua and Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of CK2 (unknown origin)


J Nat Prod 82: 1014-1018 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00889
BindingDB Entry DOI: 10.7270/Q269773G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50564383
PNG
(CHEMBL4783065)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2nnc(s2)C(F)(F)F)cc1[N+]([O-])=O
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TBA

Assay Description
Inhibition of recombinant human CK2alpha (1 to 336 residues) expressed in Escherichia coli BL21 (DE3) using RRADDSDDDD as substrate incubated for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112267
BindingDB Entry DOI: 10.7270/Q2M330H3
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50564380
PNG
(CHEMBL4799521)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2nnc(C)s2)ccc1O
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n/an/a 880n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CK2alpha (1 to 336 residues) expressed in Escherichia coli BL21 (DE3) using RRADDSDDDD as substrate incubated for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112267
BindingDB Entry DOI: 10.7270/Q2M330H3
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50564386
PNG
(CHEMBL4796675)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2nnc(Br)s2)cc1Br
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n/an/a 1.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CK2alpha (1 to 336 residues) expressed in Escherichia coli BL21 (DE3) using RRADDSDDDD as substrate incubated for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112267
BindingDB Entry DOI: 10.7270/Q2M330H3
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50564379
PNG
(CHEMBL4792639)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2nnc(s2)C(F)(F)F)ccc1O
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n/an/a 1.37E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CK2alpha (1 to 336 residues) expressed in Escherichia coli BL21 (DE3) using RRADDSDDDD as substrate incubated for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112267
BindingDB Entry DOI: 10.7270/Q2M330H3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
SRSF protein kinase 1


(Homo sapiens (Human))
BDBM50564378
PNG
(CHEMBL4787157)
Show SMILES COc1cc(\C=C2\C(=N)N3N=C(SC3=NC2=O)C(F)(F)F)ccc1O |c:10,14|
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n/an/a 2.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human SRPK1 expressed in Escherichia coli using RS peptide as substrate incubated for 15 mins in presence of ATP by Kinase-...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112267
BindingDB Entry DOI: 10.7270/Q2M330H3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM92756
PNG
(CX-5011)
Show SMILES [O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1ncncc21
Show InChI InChI=1S/C20H12N4O2/c1-2-12-4-3-5-14(8-12)23-19-18-16(10-21-11-22-18)15-7-6-13(20(25)26)9-17(15)24-19/h1,3-11H,(H,23,24)(H,25,26)/p-1
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n/an/a 2.51E+3n/an/an/an/an/an/a



Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens (Human))
BDBM50601335
PNG
(CHEMBL5178939)
Show SMILES CCc1c([nH]c(C)c1C(C)=O)-c1csc(n1)N1CCNCC1C(=O)NCCc1ccno1
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n/an/a 4.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00173
BindingDB Entry DOI: 10.7270/Q27M0D0Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM92757
PNG
(CX-5279)
Show SMILES [O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C(F)(F)F)c1nc(NC3CC3)ncc21
Show InChI InChI=1S/C22H16F3N5O2/c23-22(24,25)12-2-1-3-14(9-12)27-19-18-16(10-26-21(30-18)28-13-5-6-13)15-7-4-11(20(31)32)8-17(15)29-19/h1-4,7-10,13H,5-6H2,(H,27,29)(H,31,32)(H,26,28,30)/p-1
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n/an/a 8.52E+3n/an/an/an/an/an/a



Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50172133
PNG
(CHEMBL3809185)
Show SMILES CCCOc1ccc2n(cc(-c3ccccc3S(C)(=O)=O)c2c1)C(C)=O
Show InChI InChI=1S/C20H21NO4S/c1-4-11-25-15-9-10-19-17(12-15)18(13-21(19)14(2)22)16-7-5-6-8-20(16)26(3,23)24/h5-10,12-13H,4,11H2,1-3H3
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n/an/a 8.55E+3n/an/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to His-tagged BRAZ2B (unknown origin) expressed in Escherichia coli BL21(DE3) cells by AlphaScreen assay in presence of ...


J Med Chem 59: 3087-97 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens (Human))
BDBM50601334
PNG
(CHEMBL5172246)
Show SMILES CCc1c([nH]c(C)c1C(C)=O)-c1csc(n1)N1CCNCC1C(=O)NC1(Cc2ccccc2Br)CC1
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n/an/a 1.06E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00173
BindingDB Entry DOI: 10.7270/Q27M0D0Z
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens (Human))
BDBM50601332
PNG
(CHEMBL5174553)
Show SMILES Cc1[nH]c(-c2csc(n2)N2CCN(Cc3c[nH]c4ncncc34)CC2)c2CCCC(=O)c12
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n/an/a 1.09E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00173
BindingDB Entry DOI: 10.7270/Q27M0D0Z
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens (Human))
BDBM50601341
PNG
(CHEMBL5205271)
Show SMILES CCc1c([nH]c(C)c1C(C)=O)-c1csc(n1)N1CCNCC1C(=O)NCCC(F)(F)F
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n/an/a 1.10E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00173
BindingDB Entry DOI: 10.7270/Q27M0D0Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens (Human))
BDBM50601322
PNG
(CHEMBL5192710)
Show SMILES Cc1[nH]c(-c2csc(NC(N)=N)n2)c2CCCC(=O)c12
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n/an/a 1.10E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00173
BindingDB Entry DOI: 10.7270/Q27M0D0Z
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens (Human))
BDBM50601319
PNG
(CHEMBL5186561)
Show SMILES Cc1[nH]c(-c2csc(n2)N2CCNCC2)c2CCCC(=O)c12
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n/an/a 1.14E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00173
BindingDB Entry DOI: 10.7270/Q27M0D0Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens (Human))
BDBM50601320
PNG
(CHEMBL5170762)
Show SMILES Cc1[nH]c(-c2csc(n2)N2CCNCC2)c2CC(C)(C)CC(=O)c12
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n/an/a 1.18E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00173
BindingDB Entry DOI: 10.7270/Q27M0D0Z
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens (Human))
BDBM50601318
PNG
(CHEMBL5172147)
Show SMILES CC(C)CCc1c([nH]c(C)c1C(C)=O)-c1csc(n1)N1CCNCC1
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n/an/a 1.25E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00173
BindingDB Entry DOI: 10.7270/Q27M0D0Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens (Human))
BDBM50601331
PNG
(CHEMBL5200427)
Show SMILES Cc1c[nH]nc1CN1CCN(CC1)c1nc(cs1)-c1[nH]c(C)c2c1CCCC2=O
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n/an/a 1.26E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00173
BindingDB Entry DOI: 10.7270/Q27M0D0Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens (Human))
BDBM50601328
PNG
(CHEMBL5205483)
Show SMILES CCc1c([nH]c(C)c1C(C)=O)-c1csc(n1)N1CCN(Cc2c[nH]c3ncncc23)CC1
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n/an/a 1.29E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00173
BindingDB Entry DOI: 10.7270/Q27M0D0Z
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens (Human))
BDBM50601327
PNG
(CHEMBL5171471)
Show SMILES CCc1c([nH]c(C)c1C(C)=O)-c1csc(n1)N1CCN(Cc2n[nH]cc2C)CC1
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n/an/a 1.31E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00173
BindingDB Entry DOI: 10.7270/Q27M0D0Z
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens (Human))
BDBM50601343
PNG
(CHEMBL5190134)
Show SMILES CCc1c([nH]c(C)c1C(C)=O)-c1csc(n1)N1CCNCC1C(=O)NCC(C)(C)C
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n/an/a 1.40E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00173
BindingDB Entry DOI: 10.7270/Q27M0D0Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens (Human))
BDBM50601337
PNG
(CHEMBL5190709)
Show SMILES CCc1c([nH]c(C)c1C(C)=O)-c1csc(n1)N1CCNCC1C(=O)NCC(F)(F)F
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n/an/a 1.41E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00173
BindingDB Entry DOI: 10.7270/Q27M0D0Z
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens (Human))
BDBM50601340
PNG
(CHEMBL5191503)
Show SMILES CCc1c([nH]c(C)c1C(C)=O)-c1csc(n1)N1CCNCC1C(=O)NCC(N)=O
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n/an/a 2.20E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00173
BindingDB Entry DOI: 10.7270/Q27M0D0Z
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50172116
PNG
(CHEMBL3809983)
Show SMILES CC(=O)n1cc(N(C(=O)c2cccc(c2)C(F)(F)F)c2cc(O)ccc2C)c2ccccc12
Show InChI InChI=1S/C25H19F3N2O3/c1-15-10-11-19(32)13-22(15)30(24(33)17-6-5-7-18(12-17)25(26,27)28)23-14-29(16(2)31)21-9-4-3-8-20(21)23/h3-14,32H,1-2H3
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n/an/a 2.70E+4n/an/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to His-tagged BRAZ2B (unknown origin) expressed in Escherichia coli BL21(DE3) cells by AlphaScreen assay in presence of ...


J Med Chem 59: 3087-97 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens (Human))
BDBM50601323
PNG
(CHEMBL5207551)
Show SMILES Cc1[nH]c(-c2csc(NC(N)=N)n2)c2CC(C)(C)CC(=O)c12
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n/an/a 2.92E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00173
BindingDB Entry DOI: 10.7270/Q27M0D0Z
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens (Human))
BDBM50601339
PNG
(CHEMBL5184671)
Show SMILES CCc1c([nH]c(C)c1C(C)=O)-c1csc(n1)N1CCNCC1C(=O)NCCCCO
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n/an/a 3.13E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00173
BindingDB Entry DOI: 10.7270/Q27M0D0Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens (Human))
BDBM50601290
PNG
(CHEMBL5195335)
Show SMILES CCc1c([nH]c(C)c1C(C)=O)-c1csc(N=C(N)N)n1 |(-1.63,-2.64,;-.86,-1.31,;-1.63,.03,;-.87,1.36,;-1.89,2.49,;-3.29,1.87,;-4.63,2.64,;-3.13,.34,;-4.22,-.75,;-3.82,-2.24,;-5.7,-.35,;.67,1.36,;1.58,2.6,;3.04,2.12,;3.04,.59,;4.37,-.18,;4.37,-1.72,;5.7,-2.49,;3.04,-2.49,;1.58,.11,)|
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n/an/a 3.32E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00173
BindingDB Entry DOI: 10.7270/Q27M0D0Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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