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Compile Data Set for Download or QSAR

Found 96 hits with Last Name = 'honda' and Initial = 'm'   
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
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50175277
PNG
(CHEMBL3809675)
Show SMILES Cl.CCCCCCCCCCCCc1ccc(cc1)-c1noc(n1)C1(CC1)C(N)=N
Show InChI InChI=1S/C24H36N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21-27-23(29-28-21)24(17-18-24)22(25)26;/h13-16H,2-12,17-18H2,1H3,(H3,25,26);1H
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40n/an/an/an/an/an/an/an/a



Graduate School of Pharmaceutical Sciences, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan. Electronic address: hohno@pharm.kyoto-u.ac.jp.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SphK1 expressed in baculovirus infected sf9 cells using D-erythro-sphingosine as substrate in presence of [gamma-33P]...


Bioorg Med Chem 25: 3046-3052 (2017)


Article DOI: 10.1016/j.bmc.2017.03.059
BindingDB Entry DOI: 10.7270/Q2XD144Z
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))
BDBM174110
PNG
((S)-2-(3-(4-octylphenyl)-1,2,4- oxadiazol-5-yl)aze...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCN1C(N)=N |r|
Show InChI InChI=1S/C20H29N5O/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-23-19(26-24-18)17-13-14-25(17)20(21)22/h9-12,17H,2-8,13-14H2,1H3,(H3,21,22)/t17-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Graduate School of Pharmaceutical Sciences, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan. Electronic address: hohno@pharm.kyoto-u.ac.jp.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SphK2 expressed in baculovirus infected sf9 cells using D-erythro-sphingosine as substrate after 20 mins in presence ...


Bioorg Med Chem 25: 3046-3052 (2017)


Article DOI: 10.1016/j.bmc.2017.03.059
BindingDB Entry DOI: 10.7270/Q2XD144Z
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM174110
PNG
((S)-2-(3-(4-octylphenyl)-1,2,4- oxadiazol-5-yl)aze...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCN1C(N)=N |r|
Show InChI InChI=1S/C20H29N5O/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-23-19(26-24-18)17-13-14-25(17)20(21)22/h9-12,17H,2-8,13-14H2,1H3,(H3,21,22)/t17-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Graduate School of Pharmaceutical Sciences, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan. Electronic address: hohno@pharm.kyoto-u.ac.jp.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SphK1 expressed in baculovirus infected sf9 cells using D-erythro-sphingosine as substrate after 20 mins in presence ...


Bioorg Med Chem 25: 3046-3052 (2017)


Article DOI: 10.1016/j.bmc.2017.03.059
BindingDB Entry DOI: 10.7270/Q2XD144Z
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus (Mouse))
BDBM50175277
PNG
(CHEMBL3809675)
Show SMILES Cl.CCCCCCCCCCCCc1ccc(cc1)-c1noc(n1)C1(CC1)C(N)=N
Show InChI InChI=1S/C24H36N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21-27-23(29-28-21)24(17-18-24)22(25)26;/h13-16H,2-12,17-18H2,1H3,(H3,25,26);1H
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1.41E+4n/an/an/an/an/an/an/an/a



Graduate School of Pharmaceutical Sciences, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan. Electronic address: hohno@pharm.kyoto-u.ac.jp.

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse SphK2 expressed in baculovirus infected sf9 cells using D-erythro-sphingosine as substrate in presence of [gamma-33P]...


Bioorg Med Chem 25: 3046-3052 (2017)


Article DOI: 10.1016/j.bmc.2017.03.059
BindingDB Entry DOI: 10.7270/Q2XD144Z
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50041978
PNG
(CHEMBL3134157)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Graduate School of Pharmaceutical Sciences, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan. Electronic address: hohno@pharm.kyoto-u.ac.jp.

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His6-tagged human SphK1 expressed in baculovirus infected sf21 cells using FITC-sphingosine as substrate after 1...


Bioorg Med Chem 25: 3046-3052 (2017)


Article DOI: 10.1016/j.bmc.2017.03.059
BindingDB Entry DOI: 10.7270/Q2XD144Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50144654
PNG
(CHEMBL3760043)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(nc1)C(O)=O
Show InChI InChI=1S/C17H13N3O4S/c1-24-12-5-2-10(3-6-12)15(21)20-17-19-9-14(25-17)11-4-7-13(16(22)23)18-8-11/h2-9H,1H3,(H,22,23)(H,19,20,21)
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n/an/a 4.60n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50144679
PNG
(CHEMBL3759871)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1F)C(O)=O
Show InChI InChI=1S/C25H19FN2O5S/c1-32-18-9-6-15(7-10-18)23(29)28-25-27-13-22(34-25)19-11-8-16(24(30)31)12-21(19)33-14-17-4-2-3-5-20(17)26/h2-13H,14H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a 8.80n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50144655
PNG
(CHEMBL3758606)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccn1)C(O)=O
Show InChI InChI=1S/C24H19N3O5S/c1-31-18-8-5-15(6-9-18)22(28)27-24-26-13-21(33-24)19-10-7-16(23(29)30)12-20(19)32-14-17-4-2-3-11-25-17/h2-13H,14H2,1H3,(H,29,30)(H,26,27,28)
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n/an/a 9.5n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50144688
PNG
(CHEMBL3758317)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(nn1)C(O)=O
Show InChI InChI=1S/C16H12N4O4S/c1-24-10-4-2-9(3-5-10)14(21)18-16-17-8-13(25-16)11-6-7-12(15(22)23)20-19-11/h2-8H,1H3,(H,22,23)(H,17,18,21)
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n/an/a 9.60n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50144682
PNG
(CHEMBL3759512)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1Cl)C(O)=O
Show InChI InChI=1S/C25H19ClN2O5S/c1-32-18-9-6-15(7-10-18)23(29)28-25-27-13-22(34-25)19-11-8-16(24(30)31)12-21(19)33-14-17-4-2-3-5-20(17)26/h2-13H,14H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a 9.80n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50144689
PNG
(CHEMBL3759755)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C17H13N3O4S/c1-24-12-5-2-10(3-6-12)15(21)20-17-19-9-14(25-17)13-7-4-11(8-18-13)16(22)23/h2-9H,1H3,(H,22,23)(H,19,20,21)
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n/an/a 10n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50144686
PNG
(CHEMBL3758519)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1Oc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H18N2O5S/c1-30-17-10-7-15(8-11-17)22(27)26-24-25-14-21(32-24)19-12-9-16(23(28)29)13-20(19)31-18-5-3-2-4-6-18/h2-14H,1H3,(H,28,29)(H,25,26,27)
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n/an/a 10n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
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 11n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha'


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



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50144670
PNG
(CHEMBL3759349)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1C#N)C(O)=O
Show InChI InChI=1S/C26H19N3O5S/c1-33-20-9-6-16(7-10-20)24(30)29-26-28-14-23(35-26)21-11-8-17(25(31)32)12-22(21)34-15-19-5-3-2-4-18(19)13-27/h2-12,14H,15H2,1H3,(H,31,32)(H,28,29,30)
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n/an/a 11n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50144683
PNG
(CHEMBL3760009)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H22N2O5S/c1-32-20-10-7-18(8-11-20)24(29)28-26-27-16-23(34-26)21-12-9-19(25(30)31)15-22(21)33-14-13-17-5-3-2-4-6-17/h2-12,15-16H,13-14H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a 11n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50144685
PNG
(CHEMBL3758270)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H20N2O5S/c1-31-19-10-7-17(8-11-19)23(28)27-25-26-14-22(33-25)20-12-9-18(24(29)30)13-21(20)32-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,29,30)(H,26,27,28)
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n/an/a 12n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50144684
PNG
(CHEMBL3760064)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1COc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H20N2O5S/c1-31-19-10-7-16(8-11-19)23(28)27-25-26-14-22(33-25)21-12-9-17(24(29)30)13-18(21)15-32-20-5-3-2-4-6-20/h2-14H,15H2,1H3,(H,29,30)(H,26,27,28)
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n/an/a 12n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50144677
PNG
(CHEMBL3758895)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1OC)C(O)=O
Show InChI InChI=1S/C26H22N2O6S/c1-32-19-10-7-16(8-11-19)24(29)28-26-27-14-23(35-26)20-12-9-17(25(30)31)13-22(20)34-15-18-5-3-4-6-21(18)33-2/h3-14H,15H2,1-2H3,(H,30,31)(H,27,28,29)
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n/an/a 13n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50144688
PNG
(CHEMBL3758317)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(nn1)C(O)=O
Show InChI InChI=1S/C16H12N4O4S/c1-24-10-4-2-9(3-5-10)14(21)18-16-17-8-13(25-16)11-6-7-12(15(22)23)20-19-11/h2-8H,1H3,(H,22,23)(H,17,18,21)
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n/an/a 14n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50144689
PNG
(CHEMBL3759755)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C17H13N3O4S/c1-24-12-5-2-10(3-6-12)15(21)20-17-19-9-14(25-17)13-7-4-11(8-18-13)16(22)23/h2-9H,1H3,(H,22,23)(H,19,20,21)
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n/an/a 14n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50144677
PNG
(CHEMBL3758895)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1OC)C(O)=O
Show InChI InChI=1S/C26H22N2O6S/c1-32-19-10-7-16(8-11-19)24(29)28-26-27-14-23(35-26)20-12-9-17(25(30)31)13-22(20)34-15-18-5-3-4-6-21(18)33-2/h3-14H,15H2,1-2H3,(H,30,31)(H,27,28,29)
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n/an/a 14n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50144679
PNG
(CHEMBL3759871)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1F)C(O)=O
Show InChI InChI=1S/C25H19FN2O5S/c1-32-18-9-6-15(7-10-18)23(29)28-25-27-13-22(34-25)19-11-8-16(24(30)31)12-21(19)33-14-17-4-2-3-5-20(17)26/h2-13H,14H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a 14n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50144678
PNG
(CHEMBL3758777)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1Br)C(O)=O
Show InChI InChI=1S/C25H19BrN2O5S/c1-32-18-9-6-15(7-10-18)23(29)28-25-27-13-22(34-25)19-11-8-16(24(30)31)12-21(19)33-14-17-4-2-3-5-20(17)26/h2-13H,14H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a 14n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50144655
PNG
(CHEMBL3758606)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccn1)C(O)=O
Show InChI InChI=1S/C24H19N3O5S/c1-31-18-8-5-15(6-9-18)22(28)27-24-26-13-21(33-24)19-10-7-16(23(29)30)12-20(19)32-14-17-4-2-3-11-25-17/h2-13H,14H2,1H3,(H,29,30)(H,26,27,28)
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n/an/a 15n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50144686
PNG
(CHEMBL3758519)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1Oc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H18N2O5S/c1-30-17-10-7-15(8-11-17)22(27)26-24-25-14-21(32-24)19-12-9-16(23(28)29)13-20(19)31-18-5-3-2-4-6-18/h2-14H,1H3,(H,28,29)(H,25,26,27)
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n/an/a 15n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50144683
PNG
(CHEMBL3760009)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H22N2O5S/c1-32-20-10-7-18(8-11-20)24(29)28-26-27-16-23(34-26)21-12-9-19(25(30)31)15-22(21)33-14-13-17-5-3-2-4-6-17/h2-12,15-16H,13-14H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a 15n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50144670
PNG
(CHEMBL3759349)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1C#N)C(O)=O
Show InChI InChI=1S/C26H19N3O5S/c1-33-20-9-6-16(7-10-20)24(30)29-26-28-14-23(35-26)21-11-8-17(25(31)32)12-22(21)34-15-19-5-3-2-4-18(19)13-27/h2-12,14H,15H2,1H3,(H,31,32)(H,28,29,30)
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n/an/a 16n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50144682
PNG
(CHEMBL3759512)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1Cl)C(O)=O
Show InChI InChI=1S/C25H19ClN2O5S/c1-32-18-9-6-15(7-10-18)23(29)28-25-27-13-22(34-25)19-11-8-16(24(30)31)12-21(19)33-14-17-4-2-3-5-20(17)26/h2-13H,14H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a 16n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50144654
PNG
(CHEMBL3760043)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(nc1)C(O)=O
Show InChI InChI=1S/C17H13N3O4S/c1-24-12-5-2-10(3-6-12)15(21)20-17-19-9-14(25-17)11-4-7-13(16(22)23)18-8-11/h2-9H,1H3,(H,22,23)(H,19,20,21)
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n/an/a 17n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50144678
PNG
(CHEMBL3758777)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1Br)C(O)=O
Show InChI InChI=1S/C25H19BrN2O5S/c1-32-18-9-6-15(7-10-18)23(29)28-25-27-13-22(34-25)19-11-8-16(24(30)31)12-21(19)33-14-17-4-2-3-5-20(17)26/h2-13H,14H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a 17n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50144680
PNG
(CHEMBL3759193)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C25H19ClN2O5S/c1-32-19-9-4-16(5-10-19)23(29)28-25-27-13-22(34-25)20-11-6-17(24(30)31)12-21(20)33-14-15-2-7-18(26)8-3-15/h2-13H,14H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a 19n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
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 19n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50144685
PNG
(CHEMBL3758270)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H20N2O5S/c1-31-19-10-7-17(8-11-19)23(28)27-25-26-14-22(33-25)20-12-9-18(24(29)30)13-21(20)32-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,29,30)(H,26,27,28)
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n/an/a 19n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


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



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50144680
PNG
(CHEMBL3759193)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C25H19ClN2O5S/c1-32-19-9-4-16(5-10-19)23(29)28-25-27-13-22(34-25)20-11-6-17(24(30)31)12-21(20)33-14-15-2-7-18(26)8-3-15/h2-13H,14H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a 26n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50144684
PNG
(CHEMBL3760064)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1COc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H20N2O5S/c1-31-19-10-7-16(8-11-19)23(28)27-25-26-14-22(33-25)21-12-9-17(24(29)30)13-18(21)15-32-20-5-3-2-4-6-20/h2-14H,15H2,1H3,(H,29,30)(H,26,27,28)
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n/an/a 28n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50144681
PNG
(CHEMBL3759388)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C25H19ClN2O5S/c1-32-19-8-5-16(6-9-19)23(29)28-25-27-13-22(34-25)20-10-7-17(24(30)31)12-21(20)33-14-15-3-2-4-18(26)11-15/h2-13H,14H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a 160n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50251418
PNG
(CHEMBL4075031)
Show SMILES N[C@@H]1CO[C@@H](CCCCCCCCCCOCC2CCCCC2)[C@H]1O |r|
Show InChI InChI=1S/C21H41NO3/c22-19-17-25-20(21(19)23)14-10-5-3-1-2-4-6-11-15-24-16-18-12-8-7-9-13-18/h18-21,23H,1-17,22H2/t19-,20+,21+/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Graduate School of Pharmaceutical Sciences, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan. Electronic address: hohno@pharm.kyoto-u.ac.jp.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human SphK1 (1 to 384 residues) expressed in baculovirus expression system using sphingosine as subst...


Bioorg Med Chem 25: 3046-3052 (2017)


Article DOI: 10.1016/j.bmc.2017.03.059
BindingDB Entry DOI: 10.7270/Q2XD144Z
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))
BDBM50251418
PNG
(CHEMBL4075031)
Show SMILES N[C@@H]1CO[C@@H](CCCCCCCCCCOCC2CCCCC2)[C@H]1O |r|
Show InChI InChI=1S/C21H41NO3/c22-19-17-25-20(21(19)23)14-10-5-3-1-2-4-6-11-15-24-16-18-12-8-7-9-13-18/h18-21,23H,1-17,22H2/t19-,20+,21+/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Graduate School of Pharmaceutical Sciences, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan. Electronic address: hohno@pharm.kyoto-u.ac.jp.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human SphK2 (1 to 618 residues) expressed in baculovirus expression system using sphingosine as subst...


Bioorg Med Chem 25: 3046-3052 (2017)


Article DOI: 10.1016/j.bmc.2017.03.059
BindingDB Entry DOI: 10.7270/Q2XD144Z
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50144687
PNG
(CHEMBL3758475)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(C(O)=O)c2ccccc12
Show InChI InChI=1S/C22H16N2O4S/c1-28-14-8-6-13(7-9-14)20(25)24-22-23-12-19(29-22)17-10-11-18(21(26)27)16-5-3-2-4-15(16)17/h2-12H,1H3,(H,26,27)(H,23,24,25)
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n/an/a 280n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50144681
PNG
(CHEMBL3759388)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C25H19ClN2O5S/c1-32-19-8-5-16(6-9-19)23(29)28-25-27-13-22(34-25)20-10-7-17(24(30)31)12-21(20)33-14-15-3-2-4-18(26)11-15/h2-13H,14H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a 330n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay


Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))
BDBM50041978
PNG
(CHEMBL3134157)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1
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n/an/a 360n/an/an/an/an/an/a



Graduate School of Pharmaceutical Sciences, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan. Electronic address: hohno@pharm.kyoto-u.ac.jp.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6 tagged SphK2 expressed in baculovirus infected sf21 cells using FITC-sphingosine as substrate after 1...


Bioorg Med Chem 25: 3046-3052 (2017)


Article DOI: 10.1016/j.bmc.2017.03.059
BindingDB Entry DOI: 10.7270/Q2XD144Z
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50251433
PNG
(CHEMBL4076550)
Show SMILES N[C@@H]1CO[C@@H](CCCCCCCCCCCOCC2CCCCC2)[C@H]1O |r|
Show InChI InChI=1S/C22H43NO3/c23-20-18-26-21(22(20)24)15-11-6-4-2-1-3-5-7-12-16-25-17-19-13-9-8-10-14-19/h19-22,24H,1-18,23H2/t20-,21+,22+/m1/s1
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n/an/a 380n/an/an/an/an/an/a



Graduate School of Pharmaceutical Sciences, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan. Electronic address: hohno@pharm.kyoto-u.ac.jp.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human SphK1 (1 to 384 residues) expressed in baculovirus expression system using sphingosine as subst...


Bioorg Med Chem 25: 3046-3052 (2017)


Article DOI: 10.1016/j.bmc.2017.03.059
BindingDB Entry DOI: 10.7270/Q2XD144Z
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50251435
PNG
(CHEMBL4081791)
Show SMILES CCCCCCCCCCc1ccc(CC[C@@H]2OC[C@@H](N)[C@@H]2O)cc1 |r|
Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-18-11-13-19(14-12-18)15-16-21-22(24)20(23)17-25-21/h11-14,20-22,24H,2-10,15-17,23H2,1H3/t20-,21+,22+/m1/s1
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n/an/a 420n/an/an/an/an/an/a



Graduate School of Pharmaceutical Sciences, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan. Electronic address: hohno@pharm.kyoto-u.ac.jp.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human SphK1 (1 to 384 residues) expressed in baculovirus expression system using sphingosine as subst...


Bioorg Med Chem 25: 3046-3052 (2017)


Article DOI: 10.1016/j.bmc.2017.03.059
BindingDB Entry DOI: 10.7270/Q2XD144Z
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))
BDBM50251419
PNG
(CHEMBL4101713)
Show SMILES N[C@@H]1CO[C@@H](CCCCCCCCCOCC2CCCCC2)[C@H]1O |r|
Show InChI InChI=1S/C20H39NO3/c21-18-16-24-19(20(18)22)13-9-4-2-1-3-5-10-14-23-15-17-11-7-6-8-12-17/h17-20,22H,1-16,21H2/t18-,19+,20+/m1/s1
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n/an/a 460n/an/an/an/an/an/a



Graduate School of Pharmaceutical Sciences, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan. Electronic address: hohno@pharm.kyoto-u.ac.jp.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human SphK2 (1 to 618 residues) expressed in baculovirus expression system using sphingosine as subst...


Bioorg Med Chem 25: 3046-3052 (2017)


Article DOI: 10.1016/j.bmc.2017.03.059
BindingDB Entry DOI: 10.7270/Q2XD144Z
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))
BDBM50251403
PNG
(CHEMBL4098301)
Show SMILES CCCCCCCCc1ccc(CC[C@@H]2OC[C@@H](N)[C@@H]2O)cc1 |r|
Show InChI InChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-19-20(22)18(21)15-23-19/h9-12,18-20,22H,2-8,13-15,21H2,1H3/t18-,19+,20+/m1/s1
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n/an/a 560n/an/an/an/an/an/a



Graduate School of Pharmaceutical Sciences, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan. Electronic address: hohno@pharm.kyoto-u.ac.jp.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human SphK2 (1 to 618 residues) expressed in baculovirus expression system using sphingosine as subst...


Bioorg Med Chem 25: 3046-3052 (2017)


Article DOI: 10.1016/j.bmc.2017.03.059
BindingDB Entry DOI: 10.7270/Q2XD144Z
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))
BDBM50251394
PNG
(CHEMBL1819205)
Show SMILES CCCCCCCCCCCCCC[C@@H]1OC[C@@H](N)[C@@H]1O |r|
Show InChI InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(20)16(19)15-21-17/h16-18,20H,2-15,19H2,1H3/t16-,17+,18+/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Graduate School of Pharmaceutical Sciences, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan. Electronic address: hohno@pharm.kyoto-u.ac.jp.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human SphK2 (1 to 618 residues) expressed in baculovirus expression system using sphingosine as subst...


Bioorg Med Chem 25: 3046-3052 (2017)


Article DOI: 10.1016/j.bmc.2017.03.059
BindingDB Entry DOI: 10.7270/Q2XD144Z
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))
BDBM50251435
PNG
(CHEMBL4081791)
Show SMILES CCCCCCCCCCc1ccc(CC[C@@H]2OC[C@@H](N)[C@@H]2O)cc1 |r|
Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-18-11-13-19(14-12-18)15-16-21-22(24)20(23)17-25-21/h11-14,20-22,24H,2-10,15-17,23H2,1H3/t20-,21+,22+/m1/s1
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n/an/a 670n/an/an/an/an/an/a



Graduate School of Pharmaceutical Sciences, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan. Electronic address: hohno@pharm.kyoto-u.ac.jp.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human SphK2 (1 to 618 residues) expressed in baculovirus expression system using sphingosine as subst...


Bioorg Med Chem 25: 3046-3052 (2017)


Article DOI: 10.1016/j.bmc.2017.03.059
BindingDB Entry DOI: 10.7270/Q2XD144Z
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50251419
PNG
(CHEMBL4101713)
Show SMILES N[C@@H]1CO[C@@H](CCCCCCCCCOCC2CCCCC2)[C@H]1O |r|
Show InChI InChI=1S/C20H39NO3/c21-18-16-24-19(20(18)22)13-9-4-2-1-3-5-10-14-23-15-17-11-7-6-8-12-17/h17-20,22H,1-16,21H2/t18-,19+,20+/m1/s1
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n/an/a 670n/an/an/an/an/an/a



Graduate School of Pharmaceutical Sciences, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan. Electronic address: hohno@pharm.kyoto-u.ac.jp.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human SphK1 (1 to 384 residues) expressed in baculovirus expression system using sphingosine as subst...


Bioorg Med Chem 25: 3046-3052 (2017)


Article DOI: 10.1016/j.bmc.2017.03.059
BindingDB Entry DOI: 10.7270/Q2XD144Z
More data for this
Ligand-Target Pair
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