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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50038310   
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


(Zea mays (Maize))
BDBM50374656
PNG
(CHEMBL401544)
Show SMILES O=C(N1CCNCC1)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C27H29N9O2/c37-23-10-2-1-5-19-17-29-36-24(19)33-26(31-22-9-4-8-21(16-22)30-23)34-27(36)32-20-7-3-6-18(15-20)25(38)35-13-11-28-12-14-35/h3-4,6-9,15-17,28H,1-2,5,10-14H2,(H,30,37)(H2,31,32,33,34)
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0.800n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV
More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374653
PNG
(CHEMBL271020)
Show SMILES CN1CCN(CC1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C28H31N9O2/c1-35-12-14-36(15-13-35)26(39)19-7-4-8-21(16-19)32-28-34-27-31-23-10-5-9-22(17-23)30-24(38)11-3-2-6-20-18-29-37(28)25(20)33-27/h4-5,7-10,16-18H,2-3,6,11-15H2,1H3,(H,30,38)(H2,31,32,33,34)
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1.30n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV
More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374662
PNG
(CHEMBL256401)
Show SMILES CN(C)C1CCN(C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1/C29H33N9O2/c1-36(2)24-13-14-37(18-24)27(40)19-8-5-9-21(15-19)33-29-35-28-32-23-11-6-10-22(16-23)31-25(39)12-4-3-7-20-17-30-38(29)26(20)34-28/h5-6,8-11,15-17,24H,3-4,7,12-14,18H2,1-2H3,(H,31,39)(H2,32,33,34,35)
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1.40n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV
More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374654
PNG
(CHEMBL271645)
Show SMILES CN(C1CCN(C)CC1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C30H35N9O2/c1-37-15-13-25(14-16-37)38(2)28(41)20-8-5-9-22(17-20)34-30-36-29-33-24-11-6-10-23(18-24)32-26(40)12-4-3-7-21-19-31-39(30)27(21)35-29/h5-6,8-11,17-19,25H,3-4,7,12-16H2,1-2H3,(H,32,40)(H2,33,34,35,36)
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1.40n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV
More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374658
PNG
(CHEMBL401614)
Show SMILES CN(C1CCN(C)C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1/C29H33N9O2/c1-36-14-13-24(18-36)37(2)27(40)19-8-5-9-21(15-19)33-29-35-28-32-23-11-6-10-22(16-23)31-25(39)12-4-3-7-20-17-30-38(29)26(20)34-28/h5-6,8-11,15-17,24H,3-4,7,12-14,18H2,1-2H3,(H,31,39)(H2,32,33,34,35)
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2n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV
More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374651
PNG
(CHEMBL257219)
Show SMILES CCN(CC)C1CCN(C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1/C31H37N9O2/c1-3-38(4-2)26-15-16-39(20-26)29(42)21-10-7-11-23(17-21)35-31-37-30-34-25-13-8-12-24(18-25)33-27(41)14-6-5-9-22-19-32-40(31)28(22)36-30/h7-8,10-13,17-19,26H,3-6,9,14-16,20H2,1-2H3,(H,33,41)(H2,34,35,36,37)
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2.20n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV
More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374655
PNG
(CHEMBL401945)
Show SMILES CCN(CC)CCN(C)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C30H37N9O2/c1-4-38(5-2)17-16-37(3)28(41)21-11-8-12-23(18-21)34-30-36-29-33-25-14-9-13-24(19-25)32-26(40)15-7-6-10-22-20-31-39(30)27(22)35-29/h8-9,11-14,18-20H,4-7,10,15-17H2,1-3H3,(H,32,40)(H2,33,34,35,36)
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2.40n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV
More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374657
PNG
(CHEMBL257736)
Show SMILES CCN(CC)C1CN(C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C30H35N9O2/c1-3-37(4-2)25-18-38(19-25)28(41)20-10-7-11-22(15-20)34-30-36-29-33-24-13-8-12-23(16-24)32-26(40)14-6-5-9-21-17-31-39(30)27(21)35-29/h7-8,10-13,15-17,25H,3-6,9,14,18-19H2,1-2H3,(H,32,40)(H2,33,34,35,36)
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3.40n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV
More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374660
PNG
(CHEMBL256189)
Show SMILES OC1CN(C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C26H26N8O3/c35-21-14-33(15-21)24(37)16-6-3-7-18(11-16)30-26-32-25-29-20-9-4-8-19(12-20)28-22(36)10-2-1-5-17-13-27-34(26)23(17)31-25/h3-4,6-9,11-13,21,35H,1-2,5,10,14-15H2,(H,28,36)(H2,29,30,31,32)
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3.60n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV
More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374659
PNG
(CHEMBL402246)
Show SMILES CN(C)CCN(C)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C28H33N9O2/c1-35(2)14-15-36(3)26(39)19-9-6-10-21(16-19)32-28-34-27-31-23-12-7-11-22(17-23)30-24(38)13-5-4-8-20-18-29-37(28)25(20)33-27/h6-7,9-12,16-18H,4-5,8,13-15H2,1-3H3,(H,30,38)(H2,31,32,33,34)
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4n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV
More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374661
PNG
(CHEMBL402306)
Show SMILES CN(C)CCNC(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C27H31N9O2/c1-35(2)14-13-28-25(38)18-8-5-9-20(15-18)32-27-34-26-31-22-11-6-10-21(16-22)30-23(37)12-4-3-7-19-17-29-36(27)24(19)33-26/h5-6,8-11,15-17H,3-4,7,12-14H2,1-2H3,(H,28,38)(H,30,37)(H2,31,32,33,34)
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5.20n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV
More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374652
PNG
(CHEMBL271848)
Show SMILES CN1CC(C1)NC(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C27H29N9O2/c1-35-15-22(16-35)30-25(38)17-7-4-8-19(12-17)32-27-34-26-31-21-10-5-9-20(13-21)29-23(37)11-3-2-6-18-14-28-36(27)24(18)33-26/h4-5,7-10,12-14,22H,2-3,6,11,15-16H2,1H3,(H,29,37)(H,30,38)(H2,31,32,33,34)
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7.40n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV
More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374663
PNG
(CHEMBL404508)
Show SMILES O=C1CCCCc2cnn3c(NC4CC4)nc(Nc4cccc(N1)c4)nc23
Show InChI InChI=1S/C19H21N7O/c27-16-7-2-1-4-12-11-20-26-17(12)24-18(25-19(26)23-13-8-9-13)22-15-6-3-5-14(10-15)21-16/h3,5-6,10-11,13H,1-2,4,7-9H2,(H,21,27)(H2,22,23,24,25)
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24n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)