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Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'gianoncelli' and Initial = 'a'   
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


(Rattus norvegicus (Rat))
BDBM34046
PNG
(iodinated benzimidazole, 9a)
Show SMILES CCc1nc2c(I)c(I)c(I)c(I)c2[nH]1
Show InChI InChI=1S/C9H6I4N2/c1-2-3-14-8-6(12)4(10)5(11)7(13)9(8)15-3/h2H2,1H3,(H,14,15)
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19 -45.8n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34038
PNG
(4,5,6,7-tetraiodobenzimidazole (TIBI), 1a)
Show SMILES Ic1c(I)c(I)c2[nH]cnc2c1I
Show InChI InChI=1S/C7H2I4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
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23 -45.4n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34044
PNG
(iodinated benzimidazole, 7a)
Show SMILES Cc1nc2c(I)c(I)c(I)c(I)c2[nH]1
Show InChI InChI=1S/C8H4I4N2/c1-2-13-7-5(11)3(9)4(10)6(12)8(7)14-2/h1H3,(H,13,14)
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24 -45.2n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34051
PNG
(iodinated benzimidazole, 14)
Show SMILES OCCNc1nc2c(I)c(I)c(I)c(I)c2[nH]1
Show InChI InChI=1S/C9H7I4N3O/c10-3-4(11)6(13)8-7(5(3)12)15-9(16-8)14-1-2-17/h17H,1-2H2,(H2,14,15,16)
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27 -44.9n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34052
PNG
(iodinated benzimidazole, 15)
Show SMILES Ic1c(I)c(I)c2[nH]c(=S)[nH]c2c1I
Show InChI InChI=1S/C7H2I4N2S/c8-1-2(9)4(11)6-5(3(1)10)12-7(14)13-6/h(H2,12,13,14)
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50 -43.3n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34054
PNG
(iodinated benzimidazole, 17)
Show SMILES Ic1c(I)c(I)c2[nH]c(=O)[nH]c2c1I
Show InChI InChI=1S/C7H2I4N2O/c8-1-2(9)4(11)6-5(3(1)10)12-7(14)13-6/h(H2,12,13,14)
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50 -43.3n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34053
PNG
(iodinated benzimidazole, 16)
Show SMILES OC(=O)CSc1nc2c(I)c(I)c(I)c(I)c2[nH]1
Show InChI InChI=1S/C9H4I4N2O2S/c10-3-4(11)6(13)8-7(5(3)12)14-9(15-8)18-1-2(16)17/h1H2,(H,14,15)(H,16,17)
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54 -43.2n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34048
PNG
(iodinated benzimidazole, 11a)
Show SMILES FC(F)(F)C(F)(F)c1nc2c(I)c(I)c(I)c(I)c2[nH]1
Show InChI InChI=1S/C9HF5I4N2/c10-8(11,9(12,13)14)7-19-5-3(17)1(15)2(16)4(18)6(5)20-7/h(H,19,20)
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70 -42.5n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34043
PNG
(iodinated benzimidazole, 6a)
Show SMILES Brc1c(I)c(Br)c2nc[nH]c2c1I
Show InChI InChI=1S/C7H2Br2I2N2/c8-2-4(10)3(9)6-7(5(2)11)13-1-12-6/h1H,(H,12,13)
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75 -42.3n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34050
PNG
(iodinated benzimidazole, 13a)
Show SMILES Brc1nc2c(I)c(I)c(I)c(I)c2[nH]1
Show InChI InChI=1S/C7HBrI4N2/c8-7-13-5-3(11)1(9)2(10)4(12)6(5)14-7/h(H,13,14)
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90 -41.8n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34040
PNG
(iodinated benzimidazole, 3a)
Show SMILES Brc1c(I)c(I)c2[nH]cnc2c1I
Show InChI InChI=1S/C7H2BrI3N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
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100 -41.6n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34047
PNG
(iodinated benzimidazole, 10a)
Show SMILES FC(F)(F)c1nc2c(I)c(I)c(I)c(I)c2[nH]1
Show InChI InChI=1S/C8HF3I4N2/c9-8(10,11)7-16-5-3(14)1(12)2(13)4(15)6(5)17-7/h(H,16,17)
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120 -41.1n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34049
PNG
(iodinated benzimidazole, 12a)
Show SMILES Clc1nc2c(I)c(I)c(I)c(I)c2[nH]1
Show InChI InChI=1S/C7HClI4N2/c8-7-13-5-3(11)1(9)2(10)4(12)6(5)14-7/h(H,13,14)
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120 -41.1n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34056
PNG
(iodinated benzimidazole, 23)
Show SMILES NC(=O)Cn1cnc2c(I)c(I)c(I)c(I)c12
Show InChI InChI=1S/C9H5I4N3O/c10-4-5(11)7(13)9-8(6(4)12)15-2-16(9)1-3(14)17/h2H,1H2,(H2,14,17)
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130 -40.9n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34055
PNG
(iodinated benzimidazole, 21)
Show SMILES OC(=O)Cn1cnc2c(I)c(I)c(I)c(I)c12
Show InChI InChI=1S/C9H4I4N2O2/c10-4-5(11)7(13)9-8(6(4)12)14-2-15(9)1-3(16)17/h2H,1H2,(H,16,17)
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140 -40.7n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34039
PNG
(iodinated benzimidazole, 2a)
Show SMILES Clc1c(I)c(I)c2nc[nH]c2c1I
Show InChI InChI=1S/C7H2ClI3N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
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160 -40.3n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34058
PNG
(iodinated benzimidazole, 27)
Show SMILES NNC(=O)Cn1cnc2c(I)c(I)c(I)c(I)c12
Show InChI InChI=1S/C9H6I4N4O/c10-4-5(11)7(13)9-8(6(4)12)15-2-17(9)1-3(18)16-14/h2H,1,14H2,(H,16,18)
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160 -40.3n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34057
PNG
(iodinated benzimidazole, 25)
Show SMILES CNC(=O)Cn1cnc2c(I)c(I)c(I)c(I)c12
Show InChI InChI=1S/C10H7I4N3O/c1-15-4(18)2-17-3-16-9-7(13)5(11)6(12)8(14)10(9)17/h3H,2H2,1H3,(H,15,18)
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180 -40.0n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34045
PNG
(iodinated benzimidazole, 8a)
Show SMILES Cc1nc2c(I)c(Cl)c(Cl)c(I)c2[nH]1
Show InChI InChI=1S/C8H4Cl2I2N2/c1-2-13-7-5(11)3(9)4(10)6(12)8(7)14-2/h1H3,(H,13,14)
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330 -38.5n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34041
PNG
(iodinated benzimidazole, 4a)
Show SMILES Clc1c(Cl)c(I)c2[nH]cnc2c1I
Show InChI InChI=1S/C7H2Cl2I2N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
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460 -37.6n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34042
PNG
(iodinated benzimidazole, 5a)
Show SMILES Clc1c(I)c(Cl)c2nc[nH]c2c1I
Show InChI InChI=1S/C7H2Cl2I2N2/c8-2-4(10)3(9)6-7(5(2)11)13-1-12-6/h1H,(H,12,13)
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590 -37.0n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34059
PNG
(brominated benzimidazole, 20)
Show SMILES OC(=O)Cn1cnc2c(Br)c(Br)c(Br)c(Br)c12
Show InChI InChI=1S/C9H4Br4N2O2/c10-4-5(11)7(13)9-8(6(4)12)14-2-15(9)1-3(16)17/h2H,1H2,(H,16,17)
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1.34E+3 -34.9n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34060
PNG
(brominated benzimidazole, 22)
Show SMILES NC(=O)Cn1cnc2c(Br)c(Br)c(Br)c(Br)c12
Show InChI InChI=1S/C9H5Br4N3O/c10-4-5(11)7(13)9-8(6(4)12)15-2-16(9)1-3(14)17/h2H,1H2,(H2,14,17)
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PubMed
1.45E+3 -34.7n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34062
PNG
(brominated benzimidazole, 26)
Show SMILES NNC(=O)Cn1cnc2c(Br)c(Br)c(Br)c(Br)c12
Show InChI InChI=1S/C9H6Br4N4O/c10-4-5(11)7(13)9-8(6(4)12)15-2-17(9)1-3(18)16-14/h2H,1,14H2,(H,16,18)
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PubMed
1.51E+3 -34.6n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34061
PNG
(brominated benzimidazole, 24)
Show SMILES CNC(=O)Cn1cnc2c(Br)c(Br)c(Br)c(Br)c12
Show InChI InChI=1S/C10H7Br4N3O/c1-15-4(18)2-17-3-16-9-7(13)5(11)6(12)8(14)10(9)17/h3H,2H2,1H3,(H,15,18)
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PubMed
1.91E+3 -34.0n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50094895
PNG
(1,4-diamino-9,10-anthraquinone | 1,4-diamino-anthr...)
Show SMILES Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2
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PubMed
n/an/a 330n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of CK1delta


Bioorg Med Chem Lett 18: 5672-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.072
BindingDB Entry DOI: 10.7270/Q2HD7VGP
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50094893
PNG
(1-Amino-4-hydroxy-anthraquinone | 1-hydroxy-4-amin...)
Show SMILES Nc1ccc(O)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H9NO3/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,16H,15H2
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PubMed
n/an/a 660n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of CK1delta


Bioorg Med Chem Lett 18: 5672-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.072
BindingDB Entry DOI: 10.7270/Q2HD7VGP
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50008516
PNG
(IC261)
Show SMILES COc1cc(OC)c(C=C2C(O)=Nc3ccccc23)c(OC)c1 |c:11|
Show InChI InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)
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PubMed
n/an/a 1.24E+3n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of CK1alpha


Bioorg Med Chem Lett 18: 5672-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.072
BindingDB Entry DOI: 10.7270/Q2HD7VGP
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008516
PNG
(IC261)
Show SMILES COc1cc(OC)c(C=C2C(O)=Nc3ccccc23)c(OC)c1 |c:11|
Show InChI InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)
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PubMed
n/an/a 2.57E+3n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of CK1delta


Bioorg Med Chem Lett 18: 5672-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.072
BindingDB Entry DOI: 10.7270/Q2HD7VGP
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 2


(Homo sapiens (Human))
BDBM50094895
PNG
(1,4-diamino-9,10-anthraquinone | 1,4-diamino-anthr...)
Show SMILES Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2
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PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of HIPK2


Bioorg Med Chem Lett 18: 5672-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.072
BindingDB Entry DOI: 10.7270/Q2HD7VGP
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50094895
PNG
(1,4-diamino-9,10-anthraquinone | 1,4-diamino-anthr...)
Show SMILES Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2
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PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of DYRK1a


Bioorg Med Chem Lett 18: 5672-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.072
BindingDB Entry DOI: 10.7270/Q2HD7VGP
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50094895
PNG
(1,4-diamino-9,10-anthraquinone | 1,4-diamino-anthr...)
Show SMILES Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2
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PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of CK1alpha


Bioorg Med Chem Lett 18: 5672-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.072
BindingDB Entry DOI: 10.7270/Q2HD7VGP
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50094893
PNG
(1-Amino-4-hydroxy-anthraquinone | 1-hydroxy-4-amin...)
Show SMILES Nc1ccc(O)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H9NO3/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,16H,15H2
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PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of CK1alpha


Bioorg Med Chem Lett 18: 5672-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.072
BindingDB Entry DOI: 10.7270/Q2HD7VGP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fgr


(Homo sapiens (Human))
BDBM50094895
PNG
(1,4-diamino-9,10-anthraquinone | 1,4-diamino-anthr...)
Show SMILES Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2
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PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of Fgr


Bioorg Med Chem Lett 18: 5672-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.072
BindingDB Entry DOI: 10.7270/Q2HD7VGP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50094895
PNG
(1,4-diamino-9,10-anthraquinone | 1,4-diamino-anthr...)
Show SMILES Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2
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PubMed
n/an/a 2.47E+4n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of PIM1


Bioorg Med Chem Lett 18: 5672-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.072
BindingDB Entry DOI: 10.7270/Q2HD7VGP
More data for this
Ligand-Target Pair
Casein kinase I isoform gamma-1


(Homo sapiens (Human))
BDBM50094893
PNG
(1-Amino-4-hydroxy-anthraquinone | 1-hydroxy-4-amin...)
Show SMILES Nc1ccc(O)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H9NO3/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,16H,15H2
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PubMed
n/an/a 2.62E+4n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of CK1gamma1


Bioorg Med Chem Lett 18: 5672-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.072
BindingDB Entry DOI: 10.7270/Q2HD7VGP
More data for this
Ligand-Target Pair
Casein kinase I isoform gamma-1


(Homo sapiens (Human))
BDBM50094895
PNG
(1,4-diamino-9,10-anthraquinone | 1,4-diamino-anthr...)
Show SMILES Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2
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PubMed
n/an/a 3.40E+4n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of CK1gamma1


Bioorg Med Chem Lett 18: 5672-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.072
BindingDB Entry DOI: 10.7270/Q2HD7VGP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50094895
PNG
(1,4-diamino-9,10-anthraquinone | 1,4-diamino-anthr...)
Show SMILES Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2
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PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of Syk


Bioorg Med Chem Lett 18: 5672-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.072
BindingDB Entry DOI: 10.7270/Q2HD7VGP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50094895
PNG
(1,4-diamino-9,10-anthraquinone | 1,4-diamino-anthr...)
Show SMILES Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2
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n/an/a>4.00E+4n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of Lyn


Bioorg Med Chem Lett 18: 5672-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.072
BindingDB Entry DOI: 10.7270/Q2HD7VGP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM50094895
PNG
(1,4-diamino-9,10-anthraquinone | 1,4-diamino-anthr...)
Show SMILES Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2
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n/an/a>4.00E+4n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of CSK


Bioorg Med Chem Lett 18: 5672-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.072
BindingDB Entry DOI: 10.7270/Q2HD7VGP
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50240382
PNG
(1,4-Dihydroxyanthrachinon | 1,4-dihydroxy-9,10-ant...)
Show SMILES Oc1ccc(O)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H
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n/an/a>4.00E+4n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of CK1alpha


Bioorg Med Chem Lett 18: 5672-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.072
BindingDB Entry DOI: 10.7270/Q2HD7VGP
More data for this
Ligand-Target Pair
Casein kinase I isoform gamma-1


(Homo sapiens (Human))
BDBM50240382
PNG
(1,4-Dihydroxyanthrachinon | 1,4-dihydroxy-9,10-ant...)
Show SMILES Oc1ccc(O)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H
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n/an/a>4.00E+4n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of CK1gamma1


Bioorg Med Chem Lett 18: 5672-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.072
BindingDB Entry DOI: 10.7270/Q2HD7VGP
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50240382
PNG
(1,4-Dihydroxyanthrachinon | 1,4-dihydroxy-9,10-ant...)
Show SMILES Oc1ccc(O)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H
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n/an/a>4.00E+4n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of CK1delta


Bioorg Med Chem Lett 18: 5672-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.072
BindingDB Entry DOI: 10.7270/Q2HD7VGP
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50094895
PNG
(1,4-diamino-9,10-anthraquinone | 1,4-diamino-anthr...)
Show SMILES Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2
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n/an/a>4.00E+4n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of GST tagged ALK


Bioorg Med Chem Lett 18: 5672-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.072
BindingDB Entry DOI: 10.7270/Q2HD7VGP
More data for this
Ligand-Target Pair
Casein kinase I isoform gamma-1


(Homo sapiens (Human))
BDBM50008516
PNG
(IC261)
Show SMILES COc1cc(OC)c(C=C2C(O)=Nc3ccccc23)c(OC)c1 |c:11|
Show InChI InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)
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KEGG

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Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of CK1gamma1


Bioorg Med Chem Lett 18: 5672-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.072
BindingDB Entry DOI: 10.7270/Q2HD7VGP
More data for this
Ligand-Target Pair