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Compile Data Set for Download or QSAR

Found 434 hits with Last Name = 'siddiqui-jain' 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'/beta


(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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0.220n/an/an/an/an/an/an/an/a



Cylene Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay


Bioorg Med Chem Lett 22: 45-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50384714
PNG
(CHEMBL2037200)
Show SMILES CN1CCCN(CC1)C(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)o1
Show InChI InChI=1S/C26H24ClN3O3/c1-29-10-3-11-30(13-12-29)26(32)18-5-2-4-17(14-18)24-9-7-20(33-24)16-22-21-15-19(27)6-8-23(21)28-25(22)31/h2,4-9,14-16H,3,10-13H2,1H3,(H,28,31)/b22-16+
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate


ACS Med Chem Lett 3: 135-139 (2012)


Article DOI: 10.1021/ml200259q
BindingDB Entry DOI: 10.7270/Q2X92CBW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'/beta


(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 0.300n/an/an/an/an/an/a



Cylene Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay


Bioorg Med Chem Lett 22: 45-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha'/beta


(Homo sapiens (Human))
BDBM50484569
PNG
(CHEMBL1934184)
Show SMILES OC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)s1)c1ccncc21
Show InChI InChI=1S/C17H9ClN2O2S/c18-15-4-3-14(23-15)16-11-5-6-19-8-12(11)10-2-1-9(17(21)22)7-13(10)20-16/h1-8H,(H,21,22)
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n/an/a 0.400n/an/an/an/an/an/a



Cylene Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay


Bioorg Med Chem Lett 22: 45-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'/beta


(Homo sapiens (Human))
BDBM50484577
PNG
(CHEMBL1934182)
Show SMILES OC(=O)c1ccc2c(c1)nc(-c1ccsc1)c1ccncc21
Show InChI InChI=1S/C17H10N2O2S/c20-17(21)10-1-2-12-14-8-18-5-3-13(14)16(19-15(12)7-10)11-4-6-22-9-11/h1-9H,(H,20,21)
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n/an/a 0.5n/an/an/an/an/an/a



Cylene Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay


Bioorg Med Chem Lett 22: 45-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'/beta


(Homo sapiens (Human))
BDBM50484568
PNG
(CHEMBL1934181)
Show SMILES CCNc1ncc2c3ccc(cc3nc(-c3ccc(Cl)cc3)c2n1)C(O)=O
Show InChI InChI=1S/C20H15ClN4O2/c1-2-22-20-23-10-15-14-8-5-12(19(26)27)9-16(14)24-17(18(15)25-20)11-3-6-13(21)7-4-11/h3-10H,2H2,1H3,(H,26,27)(H,22,23,25)
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n/an/a 0.5n/an/an/an/an/an/a



Cylene Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay


Bioorg Med Chem Lett 22: 45-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'/beta


(Homo sapiens (Human))
BDBM152738
PNG
(5-(4-chlorophenyl)benzo[c]2,6-naphthyridine-8-carb...)
Show SMILES OC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1ccncc21
Show InChI InChI=1S/C19H11ClN2O2/c20-13-4-1-11(2-5-13)18-15-7-8-21-10-16(15)14-6-3-12(19(23)24)9-17(14)22-18/h1-10H,(H,23,24)
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n/an/a 0.5n/an/an/an/an/an/a



Cylene Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay


Bioorg Med Chem Lett 22: 45-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'/beta


(Homo sapiens (Human))
BDBM50484567
PNG
(CHEMBL1934180)
Show SMILES OC(=O)c1ccc2c(c1)nc(-c1ccccc1)c1nc(NC3CC3)ncc21
Show InChI InChI=1S/C21H16N4O2/c26-20(27)13-6-9-15-16-11-22-21(23-14-7-8-14)25-19(16)18(24-17(15)10-13)12-4-2-1-3-5-12/h1-6,9-11,14H,7-8H2,(H,26,27)(H,22,23,25)
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n/an/a 0.600n/an/an/an/an/an/a



Cylene Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay


Bioorg Med Chem Lett 22: 45-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4
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 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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n/an/a 1n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha by radiometric assay


J Med Chem 54: 635-54 (2011)


Article DOI: 10.1021/jm101251q
BindingDB Entry DOI: 10.7270/Q2J67H7N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50357599
PNG
(CHEMBL1915633)
Show SMILES COc1cccc(Nc2nc3c(cccc3c3cnccc23)-c2nnc[nH]2)c1Cl
Show InChI InChI=1S/C21H15ClN6O/c1-29-17-7-3-6-16(18(17)22)26-21-13-8-9-23-10-15(13)12-4-2-5-14(19(12)27-21)20-24-11-25-28-20/h2-11H,1H3,(H,26,27)(H,24,25,28)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 5 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.059
BindingDB Entry DOI: 10.7270/Q2PR7WD6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50357602
PNG
(CHEMBL1915636)
Show SMILES Fc1cccc(F)c1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1
Show InChI InChI=1S/C20H12F2N6/c21-15-5-2-6-16(22)18(15)27-20-12-7-8-23-9-14(12)11-3-1-4-13(17(11)26-20)19-24-10-25-28-19/h1-10H,(H,26,27)(H,24,25,28)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 5 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.059
BindingDB Entry DOI: 10.7270/Q2PR7WD6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50357587
PNG
(CHEMBL1915438)
Show SMILES Clc1ccccc1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1
Show InChI InChI=1S/C20H13ClN6/c21-16-6-1-2-7-17(16)25-20-13-8-9-22-10-15(13)12-4-3-5-14(18(12)26-20)19-23-11-24-27-19/h1-11H,(H,25,26)(H,23,24,27)
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n/an/a 1n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PIM1 using KKRNRTLTV as substrate by millipore assay in the presence of 90 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.059
BindingDB Entry DOI: 10.7270/Q2PR7WD6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50357610
PNG
(CHEMBL1915644)
Show SMILES CNC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccncc21
Show InChI InChI=1S/C20H15ClN4O/c1-22-20(26)14-6-4-5-12-15-11-23-10-9-13(15)19(25-18(12)14)24-17-8-3-2-7-16(17)21/h2-11H,1H3,(H,22,26)(H,24,25)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 5 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.059
BindingDB Entry DOI: 10.7270/Q2PR7WD6
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'/beta


(Homo sapiens (Human))
BDBM50484584
PNG
(CHEMBL1934318)
Show SMILES OC(=O)c1ccc2c(c1)nc(Sc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H11ClN2O2S/c20-12-2-1-3-13(9-12)25-18-15-6-7-21-10-16(15)14-5-4-11(19(23)24)8-17(14)22-18/h1-10H,(H,23,24)
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Cylene Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay


Bioorg Med Chem Lett 22: 45-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50357594
PNG
(CHEMBL1915445)
Show SMILES Oc1ccc(Nc2nc3c(cccc3c3cnccc23)-c2nnc[nH]2)c(Cl)c1
Show InChI InChI=1S/C20H13ClN6O/c21-16-8-11(28)4-5-17(16)25-20-13-6-7-22-9-15(13)12-2-1-3-14(18(12)26-20)19-23-10-24-27-19/h1-10,28H,(H,25,26)(H,23,24,27)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PIM2 by millipore assay in the presence of 15 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.059
BindingDB Entry DOI: 10.7270/Q2PR7WD6
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'/beta


(Homo sapiens (Human))
BDBM50484579
PNG
(CHEMBL1934166)
Show SMILES OC(=O)c1ccc2c(c1)nc(-c1cccc(O)c1)c1ccncc21
Show InChI InChI=1S/C19H12N2O3/c22-13-3-1-2-11(8-13)18-15-6-7-20-10-16(15)14-5-4-12(19(23)24)9-17(14)21-18/h1-10,22H,(H,23,24)
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Cylene Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay


Bioorg Med Chem Lett 22: 45-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4
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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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha at enzyme-substrate complex by radiometric assay


J Med Chem 54: 635-54 (2011)


Article DOI: 10.1021/jm101251q
BindingDB Entry DOI: 10.7270/Q2J67H7N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha'/beta


(Homo sapiens (Human))
BDBM50484556
PNG
(CHEMBL1934160)
Show SMILES OC(=O)c1ccc2c(c1)nc(-c1ccccc1)c1ccncc21
Show InChI InChI=1S/C19H12N2O2/c22-19(23)13-6-7-14-16-11-20-9-8-15(16)18(21-17(14)10-13)12-4-2-1-3-5-12/h1-11H,(H,22,23)
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n/an/a 1.10n/an/an/an/an/an/a



Cylene Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay


Bioorg Med Chem Lett 22: 45-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'/beta


(Homo sapiens (Human))
BDBM50484563
PNG
(CHEMBL1934173)
Show SMILES OC(=O)c1ccc2c(c1)nc(-c1ccc(F)cc1)c1ccncc21
Show InChI InChI=1S/C19H11FN2O2/c20-13-4-1-11(2-5-13)18-15-7-8-21-10-16(15)14-6-3-12(19(23)24)9-17(14)22-18/h1-10H,(H,23,24)
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n/an/a 1.20n/an/an/an/an/an/a



Cylene Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay


Bioorg Med Chem Lett 22: 45-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'/beta


(Homo sapiens (Human))
BDBM50484558
PNG
(CHEMBL1934164)
Show SMILES OC(=O)c1ccc2c(c1)nc(-c1cccc(F)c1)c1ccncc21
Show InChI InChI=1S/C19H11FN2O2/c20-13-3-1-2-11(8-13)18-15-6-7-21-10-16(15)14-5-4-12(19(23)24)9-17(14)22-18/h1-10H,(H,23,24)
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Cylene Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay


Bioorg Med Chem Lett 22: 45-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4
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
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50357602
PNG
(CHEMBL1915636)
Show SMILES Fc1cccc(F)c1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1
Show InChI InChI=1S/C20H12F2N6/c21-15-5-2-6-16(22)18(15)27-20-12-7-8-23-9-14(12)11-3-1-4-13(17(11)26-20)19-24-10-25-28-19/h1-10H,(H,26,27)(H,24,25,28)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 30 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.059
BindingDB Entry DOI: 10.7270/Q2PR7WD6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50357613
PNG
(CHEMBL1915647)
Show SMILES CC(C)NC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccncc21
Show InChI InChI=1S/C22H19ClN4O/c1-13(2)25-22(28)16-7-5-6-14-17-12-24-11-10-15(17)21(27-20(14)16)26-19-9-4-3-8-18(19)23/h3-13H,1-2H3,(H,25,28)(H,26,27)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 5 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.059
BindingDB Entry DOI: 10.7270/Q2PR7WD6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50357618
PNG
(CHEMBL1914471)
Show SMILES CNC(=O)c1cccc2c1nc(Nc1c(F)cccc1F)c1ccncc21
Show InChI InChI=1S/C20H14F2N4O/c1-23-20(27)13-5-2-4-11-14-10-24-9-8-12(14)19(25-17(11)13)26-18-15(21)6-3-7-16(18)22/h2-10H,1H3,(H,23,27)(H,25,26)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 5 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.059
BindingDB Entry DOI: 10.7270/Q2PR7WD6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50357612
PNG
(CHEMBL1915646)
Show SMILES CCNC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccncc21
Show InChI InChI=1S/C21H17ClN4O/c1-2-24-21(27)15-7-5-6-13-16-12-23-11-10-14(16)20(26-19(13)15)25-18-9-4-3-8-17(18)22/h3-12H,2H2,1H3,(H,24,27)(H,25,26)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 5 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.059
BindingDB Entry DOI: 10.7270/Q2PR7WD6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50357594
PNG
(CHEMBL1915445)
Show SMILES Oc1ccc(Nc2nc3c(cccc3c3cnccc23)-c2nnc[nH]2)c(Cl)c1
Show InChI InChI=1S/C20H13ClN6O/c21-16-8-11(28)4-5-17(16)25-20-13-6-7-22-9-15(13)12-2-1-3-14(18(12)26-20)19-23-10-24-27-19/h1-10,28H,(H,25,26)(H,23,24,27)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PIM1 using KKRNRTLTV as substrate by millipore assay in the presence of 90 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.059
BindingDB Entry DOI: 10.7270/Q2PR7WD6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50357597
PNG
(CHEMBL1915448)
Show SMILES Clc1cc(OCCN2CCOCC2)ccc1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1
Show InChI InChI=1S/C26H24ClN7O2/c27-22-14-17(36-13-10-34-8-11-35-12-9-34)4-5-23(22)31-26-19-6-7-28-15-21(19)18-2-1-3-20(24(18)32-26)25-29-16-30-33-25/h1-7,14-16H,8-13H2,(H,31,32)(H,29,30,33)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PIM1 using KKRNRTLTV as substrate by millipore assay in the presence of 90 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.059
BindingDB Entry DOI: 10.7270/Q2PR7WD6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50381054
PNG
(CHEMBL2017323)
Show SMILES Clc1ccccc1Nc1nc2c(cccc2c2sccc12)-c1nnc[nH]1
Show InChI InChI=1S/C19H12ClN5S/c20-14-6-1-2-7-15(14)23-19-13-8-9-26-17(13)11-4-3-5-12(16(11)24-19)18-21-10-22-25-18/h1-10H,(H,23,24)(H,21,22,25)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate and 5 uM ATP by radiometric assay


Bioorg Med Chem Lett 22: 3327-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.099
BindingDB Entry DOI: 10.7270/Q2057GZB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50381055
PNG
(CHEMBL2017324)
Show SMILES Fc1ccccc1Nc1nc2c(cccc2c2sccc12)-c1nnc[nH]1
Show InChI InChI=1S/C19H12FN5S/c20-14-6-1-2-7-15(14)23-19-13-8-9-26-17(13)11-4-3-5-12(16(11)24-19)18-21-10-22-25-18/h1-10H,(H,23,24)(H,21,22,25)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate and 5 uM ATP by radiometric assay


Bioorg Med Chem Lett 22: 3327-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.099
BindingDB Entry DOI: 10.7270/Q2057GZB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50357597
PNG
(CHEMBL1915448)
Show SMILES Clc1cc(OCCN2CCOCC2)ccc1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1
Show InChI InChI=1S/C26H24ClN7O2/c27-22-14-17(36-13-10-34-8-11-35-12-9-34)4-5-23(22)31-26-19-6-7-28-15-21(19)18-2-1-3-20(24(18)32-26)25-29-16-30-33-25/h1-7,14-16H,8-13H2,(H,31,32)(H,29,30,33)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 30 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.059
BindingDB Entry DOI: 10.7270/Q2PR7WD6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50357594
PNG
(CHEMBL1915445)
Show SMILES Oc1ccc(Nc2nc3c(cccc3c3cnccc23)-c2nnc[nH]2)c(Cl)c1
Show InChI InChI=1S/C20H13ClN6O/c21-16-8-11(28)4-5-17(16)25-20-13-6-7-22-9-15(13)12-2-1-3-14(18(12)26-20)19-23-10-24-27-19/h1-10,28H,(H,25,26)(H,23,24,27)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 5 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.059
BindingDB Entry DOI: 10.7270/Q2PR7WD6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50357598
PNG
(CHEMBL1915449)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc3c(cccc3c3cnccc23)-c2nnc[nH]2)c(Cl)c1
Show InChI InChI=1S/C25H23ClN8/c1-33-9-11-34(12-10-33)16-5-6-22(21(26)13-16)30-25-18-7-8-27-14-20(18)17-3-2-4-19(23(17)31-25)24-28-15-29-32-24/h2-8,13-15H,9-12H2,1H3,(H,30,31)(H,28,29,32)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 30 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.059
BindingDB Entry DOI: 10.7270/Q2PR7WD6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50381040
PNG
(CHEMBL2017348)
Show SMILES Fc1ccc(Nc2nc3c(cccc3c3sccc23)-c2nnc[nH]2)c(F)c1
Show InChI InChI=1S/C19H11F2N5S/c20-10-4-5-15(14(21)8-10)24-19-13-6-7-27-17(13)11-2-1-3-12(16(11)25-19)18-22-9-23-26-18/h1-9H,(H,24,25)(H,22,23,26)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate and 5 uM ATP by radiometric assay


Bioorg Med Chem Lett 22: 3327-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.099
BindingDB Entry DOI: 10.7270/Q2057GZB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50381040
PNG
(CHEMBL2017348)
Show SMILES Fc1ccc(Nc2nc3c(cccc3c3sccc23)-c2nnc[nH]2)c(F)c1
Show InChI InChI=1S/C19H11F2N5S/c20-10-4-5-15(14(21)8-10)24-19-13-6-7-27-17(13)11-2-1-3-12(16(11)25-19)18-22-9-23-26-18/h1-9H,(H,24,25)(H,22,23,26)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate and 30 uM ATP by radiometric assay


Bioorg Med Chem Lett 22: 3327-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.099
BindingDB Entry DOI: 10.7270/Q2057GZB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50381055
PNG
(CHEMBL2017324)
Show SMILES Fc1ccccc1Nc1nc2c(cccc2c2sccc12)-c1nnc[nH]1
Show InChI InChI=1S/C19H12FN5S/c20-14-6-1-2-7-15(14)23-19-13-8-9-26-17(13)11-4-3-5-12(16(11)24-19)18-21-10-22-25-18/h1-10H,(H,23,24)(H,21,22,25)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate and 30 uM ATP by radiometric assay


Bioorg Med Chem Lett 22: 3327-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.099
BindingDB Entry DOI: 10.7270/Q2057GZB
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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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'/beta


(Homo sapiens (Human))
BDBM50484575
PNG
(CHEMBL1934319)
Show SMILES OC(=O)c1ccc2c(c1)nc(Cc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C20H13ClN2O2/c21-14-3-1-2-12(8-14)9-18-16-6-7-22-11-17(16)15-5-4-13(20(24)25)10-19(15)23-18/h1-8,10-11H,9H2,(H,24,25)
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Cylene Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay


Bioorg Med Chem Lett 22: 45-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4
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'/beta


(Homo sapiens (Human))
BDBM50484559
PNG
(CHEMBL1934165)
Show SMILES Nc1cccc(c1)-c1nc2cc(ccc2c2cnccc12)C(O)=O
Show InChI InChI=1S/C19H13N3O2/c20-13-3-1-2-11(8-13)18-15-6-7-21-10-16(15)14-5-4-12(19(23)24)9-17(14)22-18/h1-10H,20H2,(H,23,24)
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n/an/a 2.70n/an/an/an/an/an/a



Cylene Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay


Bioorg Med Chem Lett 22: 45-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'/beta


(Homo sapiens (Human))
BDBM50484557
PNG
(CHEMBL1934163)
Show SMILES OC(=O)c1ccc2c(c1)nc(-c1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H11ClN2O2/c20-13-3-1-2-11(8-13)18-15-6-7-21-10-16(15)14-5-4-12(19(23)24)9-17(14)22-18/h1-10H,(H,23,24)
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n/an/a 2.90n/an/an/an/an/an/a



Cylene Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay


Bioorg Med Chem Lett 22: 45-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50357591
PNG
(CHEMBL1915442)
Show SMILES Fc1ccccc1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1
Show InChI InChI=1S/C20H13FN6/c21-16-6-1-2-7-17(16)25-20-13-8-9-22-10-15(13)12-4-3-5-14(18(12)26-20)19-23-11-24-27-19/h1-11H,(H,25,26)(H,23,24,27)
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n/an/a 3n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 5 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.059
BindingDB Entry DOI: 10.7270/Q2PR7WD6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50381038
PNG
(CHEMBL2017346)
Show SMILES Fc1cccc(Nc2nc3c(cccc3c3sccc23)-c2nnc[nH]2)c1
Show InChI InChI=1S/C19H12FN5S/c20-11-3-1-4-12(9-11)23-19-15-7-8-26-17(15)13-5-2-6-14(16(13)24-19)18-21-10-22-25-18/h1-10H,(H,23,24)(H,21,22,25)
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n/an/a 3n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate and 30 uM ATP by radiometric assay


Bioorg Med Chem Lett 22: 3327-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.099
BindingDB Entry DOI: 10.7270/Q2057GZB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50381054
PNG
(CHEMBL2017323)
Show SMILES Clc1ccccc1Nc1nc2c(cccc2c2sccc12)-c1nnc[nH]1
Show InChI InChI=1S/C19H12ClN5S/c20-14-6-1-2-7-15(14)23-19-13-8-9-26-17(13)11-4-3-5-12(16(11)24-19)18-21-10-22-25-18/h1-10H,(H,23,24)(H,21,22,25)
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n/an/a 3n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate and 30 uM ATP by radiometric assay


Bioorg Med Chem Lett 22: 3327-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.099
BindingDB Entry DOI: 10.7270/Q2057GZB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50384706
PNG
(CHEMBL2037204)
Show SMILES CN1CCCN(CC1)C(=O)c1ccc(F)c(c1)-c1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)o1
Show InChI InChI=1S/C26H23ClFN3O3/c1-30-9-2-10-31(12-11-30)26(33)16-3-6-22(28)21(13-16)24-8-5-18(34-24)15-20-19-14-17(27)4-7-23(19)29-25(20)32/h3-8,13-15H,2,9-12H2,1H3,(H,29,32)/b20-15+
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)


Article DOI: 10.1021/ml200259q
BindingDB Entry DOI: 10.7270/Q2X92CBW
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'/beta


(Homo sapiens (Human))
BDBM50484582
PNG
(CHEMBL1934178)
Show SMILES OC(=O)c1ccc2c(c1)nc(-c1cccc(O)c1)c1ncncc21
Show InChI InChI=1S/C18H11N3O3/c22-12-3-1-2-10(6-12)16-17-14(8-19-9-20-17)13-5-4-11(18(23)24)7-15(13)21-16/h1-9,22H,(H,23,24)
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n/an/a 3.5n/an/an/an/an/an/a



Cylene Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay


Bioorg Med Chem Lett 22: 45-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'/beta


(Homo sapiens (Human))
BDBM50484562
PNG
(CHEMBL1934171)
Show SMILES NC(=O)c1cccc(c1)-c1nc2cc(ccc2c2cnccc12)C(O)=O
Show InChI InChI=1S/C20H13N3O3/c21-19(24)12-3-1-2-11(8-12)18-15-6-7-22-10-16(15)14-5-4-13(20(25)26)9-17(14)23-18/h1-10H,(H2,21,24)(H,25,26)
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n/an/a 3.5n/an/an/an/an/an/a



Cylene Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay


Bioorg Med Chem Lett 22: 45-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4
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
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