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Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'zhu' and Initial = 'yl'   
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
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50029085
PNG
(CHEBI:83405 | CHEMBL525191 | GDC-0879)
Show SMILES OCCn1cc(c(n1)-c1ccncc1)-c1ccc2\C(CCc2c1)=N\O
Show InChI InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,24-25H,2,4,9-10H2/b22-18+
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0.130n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


Bioorg Med Chem 22: 6201-8 (2014)


Article DOI: 10.1016/j.bmc.2014.08.029
BindingDB Entry DOI: 10.7270/Q2RB7658
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436720
PNG
(CHEMBL2401963)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1
Show InChI InChI=1/C23H26N6O/c1-3-18-22(30)27(2)19-15-25-23(26-21(19)29(18)17-11-7-8-12-17)28-14-13-24-20(28)16-9-5-4-6-10-16/h4-6,9-10,13-15,17-18H,3,7-8,11-12H2,1-2H3/t18-/s2
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n/an/a 5n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436742
PNG
(CHEMBL2402081)
Show SMILES CC[C@H]1N(c2ccn(C)n2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1
Show InChI InChI=1/C22H21FN8O/c1-4-16-21(32)29(3)17-13-25-22(26-20(17)31(16)18-9-11-28(2)27-18)30-12-10-24-19(30)14-5-7-15(23)8-6-14/h5-13,16H,4H2,1-3H3/t16-/s2
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n/an/a 7n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436746
PNG
(CHEMBL2401971)
Show SMILES CC[C@H]1N([C@H]2CCOC2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1
Show InChI InChI=1/C22H24N6O2/c1-3-17-21(29)26(2)18-13-24-22(25-20(18)28(17)16-9-12-30-14-16)27-11-10-23-19(27)15-7-5-4-6-8-15/h4-8,10-11,13,16-17H,3,9,12,14H2,1-2H3/t16-,17+/s2
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n/an/a 8n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50436720
PNG
(CHEMBL2401963)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1
Show InChI InChI=1/C23H26N6O/c1-3-18-22(30)27(2)19-15-25-23(26-21(19)29(18)17-11-7-8-12-17)28-14-13-24-20(28)16-9-5-4-6-10-16/h4-6,9-10,13-15,17-18H,3,7-8,11-12H2,1-2H3/t18-/s2
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n/an/a 8n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk1 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436749
PNG
(CHEMBL2401966)
Show SMILES CC[C@H]1N(CCC(F)(F)F)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1
Show InChI InChI=1/C21H21F3N6O/c1-3-15-19(31)28(2)16-13-26-20(27-18(16)29(15)11-9-21(22,23)24)30-12-10-25-17(30)14-7-5-4-6-8-14/h4-8,10,12-13,15H,3,9,11H2,1-2H3/t15-/s2
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n/an/a 9n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436734
PNG
(CHEMBL2402079)
Show SMILES CCC1N(c2ccn[nH]2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1
Show InChI InChI=1/C21H19FN8O/c1-3-15-20(31)28(2)16-12-24-21(26-19(16)30(15)17-8-9-25-27-17)29-11-10-23-18(29)13-4-6-14(22)7-5-13/h4-12,15H,3H2,1-2H3,(H,25,27)
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n/an/a 9n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436727
PNG
(CHEMBL2402078)
Show SMILES CC[C@H]1N(c2cn[nH]c2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1
Show InChI InChI=1/C21H19FN8O/c1-3-16-20(31)28(2)17-12-24-21(27-19(17)30(16)15-10-25-26-11-15)29-9-8-23-18(29)13-4-6-14(22)7-5-13/h4-12,16H,3H2,1-2H3,(H,25,26)/t16-/s2
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n/an/a 12n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436726
PNG
(CHEMBL2401969)
Show SMILES CC[C@H]1N(C2CC(F)(F)C2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1
Show InChI InChI=1/C22H21F3N6O/c1-3-16-20(32)29(2)17-12-27-21(28-19(17)31(16)15-10-22(24,25)11-15)30-9-8-26-18(30)13-4-6-14(23)7-5-13/h4-9,12,15-16H,3,10-11H2,1-2H3/t16-/s2
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n/an/a 12n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25617
PNG
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
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n/an/a 13n/an/an/an/a7.022



Plexxikon



Assay Description
The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...


Proc Natl Acad Sci U S A 105: 3041-6 (2008)


Article DOI: 10.1073/pnas.0711741105
BindingDB Entry DOI: 10.7270/Q2SB441T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436747
PNG
(CHEMBL2401968)
Show SMILES CCC1N(C2CCC(F)(F)C2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1
Show InChI InChI=1/C23H23F3N6O/c1-3-17-21(33)30(2)18-13-28-22(29-20(18)32(17)16-8-9-23(25,26)12-16)31-11-10-27-19(31)14-4-6-15(24)7-5-14/h4-7,10-11,13,16-17H,3,8-9,12H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436738
PNG
(CHEMBL2401975)
Show SMILES CCC1N(c2ccc(F)cc2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1
Show InChI InChI=1/C24H20F2N6O/c1-3-19-23(33)30(2)20-14-28-24(29-22(20)32(19)18-10-8-17(26)9-11-18)31-13-12-27-21(31)15-4-6-16(25)7-5-15/h4-14,19H,3H2,1-2H3
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n/an/a 15n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436737
PNG
(CHEMBL2401974)
Show SMILES CCC1N(c2ccccc2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1
Show InChI InChI=1/C24H22N6O/c1-3-19-23(31)28(2)20-16-26-24(27-22(20)30(19)18-12-8-5-9-13-18)29-15-14-25-21(29)17-10-6-4-7-11-17/h4-16,19H,3H2,1-2H3
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n/an/a 17n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436735
PNG
(CHEMBL2402080)
Show SMILES CC[C@H]1N(c2cnn(C)c2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1
Show InChI InChI=1/C22H21FN8O/c1-4-17-21(32)29(3)18-12-25-22(27-20(18)31(17)16-11-26-28(2)13-16)30-10-9-24-19(30)14-5-7-15(23)8-6-14/h5-13,17H,4H2,1-3H3/t17-/s2
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n/an/a 21n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436745
PNG
(CHEMBL2401972)
Show SMILES CC[C@H]1N([C@@H]2CCOC2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1
Show InChI InChI=1/C22H24N6O2/c1-3-17-21(29)26(2)18-13-24-22(25-20(18)28(17)16-9-12-30-14-16)27-11-10-23-19(27)15-7-5-4-6-8-15/h4-8,10-11,13,16-17H,3,9,12,14H2,1-2H3/t16-,17-/s2
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436744
PNG
(CHEMBL2401965)
Show SMILES CC[C@H]1N(C(C)C)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1
Show InChI InChI=1/C21H24N6O/c1-5-16-20(28)25(4)17-13-23-21(24-19(17)27(16)14(2)3)26-12-11-22-18(26)15-9-7-6-8-10-15/h6-14,16H,5H2,1-4H3/t16-/s2
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n/an/a 25n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436730
PNG
(CHEMBL2401959)
Show SMILES CCC1(C)N(CCC(F)(F)F)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1
Show InChI InChI=1/C22H22F4N6O/c1-4-21(2)19(33)30(3)16-13-28-20(29-18(16)32(21)11-9-22(24,25)26)31-12-10-27-17(31)14-5-7-15(23)8-6-14/h5-8,10,12-13H,4,9,11H2,1-3H3
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n/an/a 30n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436731
PNG
(CHEMBL2402076)
Show SMILES CCC1N(c2ccc(cc2)C#N)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1
Show InChI InChI=1/C25H20FN7O/c1-3-20-24(34)31(2)21-15-29-25(30-23(21)33(20)19-10-4-16(14-27)5-11-19)32-13-12-28-22(32)17-6-8-18(26)9-7-17/h4-13,15,20H,3H2,1-2H3
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436729
PNG
(CHEMBL2401973)
Show SMILES CC[C@H]1N([C@H]2CCOC2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1
Show InChI InChI=1/C22H23FN6O2/c1-3-17-21(30)27(2)18-12-25-22(26-20(18)29(17)16-8-11-31-13-16)28-10-9-24-19(28)14-4-6-15(23)7-5-14/h4-7,9-10,12,16-17H,3,8,11,13H2,1-2H3/t16-,17+/s2
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436748
PNG
(CHEMBL2402083)
Show SMILES CC[C@H]1N(C2CCOCC2)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1nccs1
Show InChI InChI=1/C20H23N7O2S/c1-3-14-20(28)26(2)15-11-22-17(13-10-23-25-16(13)19-21-6-9-30-19)24-18(15)27(14)12-4-7-29-8-5-12/h6,9-12,14H,3-5,7-8H2,1-2H3,(H,23,25)/t14-/s2
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436741
PNG
(CHEMBL2402084)
Show SMILES CC[C@H]1N([C@H]2CCOC2)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1nccs1
Show InChI InChI=1/C19H21N7O2S/c1-3-13-19(27)25(2)14-9-21-16(23-17(14)26(13)11-4-6-28-10-11)12-8-22-24-15(12)18-20-5-7-29-18/h5,7-9,11,13H,3-4,6,10H2,1-2H3,(H,22,24)/t11-,13+/s2
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436732
PNG
(CHEMBL2401967)
Show SMILES CC[C@H]1N(CCC(F)(F)F)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1
Show InChI InChI=1/C21H20F4N6O/c1-3-15-19(32)29(2)16-12-27-20(28-18(16)30(15)10-8-21(23,24)25)31-11-9-26-17(31)13-4-6-14(22)7-5-13/h4-7,9,11-12,15H,3,8,10H2,1-2H3/t15-/s2
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436728
PNG
(CHEMBL2402077)
Show SMILES CC[C@H]1N(c2cncnc2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1
Show InChI InChI=1/C22H20N8O/c1-3-17-21(31)28(2)18-13-26-22(27-20(18)30(17)16-11-23-14-24-12-16)29-10-9-25-19(29)15-7-5-4-6-8-15/h4-14,17H,3H2,1-2H3/t17-/s2
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436721
PNG
(CHEMBL2401964)
Show SMILES CC[C@H]1N(C(C)C)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1nccs1
Show InChI InChI=1/C18H21N7OS/c1-5-12-18(26)24(4)13-9-20-15(22-16(13)25(12)10(2)3)11-8-21-23-14(11)17-19-6-7-27-17/h6-10,12H,5H2,1-4H3,(H,21,23)/t12-/s2
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436736
PNG
(CHEMBL2402085)
Show SMILES CC[C@H]1N(c2cn[nH]c2)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1nccs1
Show InChI InChI=1/C18H17N9OS/c1-3-12-18(28)26(2)13-9-20-15(24-16(13)27(12)10-6-21-22-7-10)11-8-23-25-14(11)17-19-4-5-29-17/h4-9,12H,3H2,1-2H3,(H,21,22)(H,23,25)/t12-/s2
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436743
PNG
(CHEMBL2401956)
Show SMILES CC[C@H]1N(c2cnn(C)c2)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1ccc(F)cc1F
Show InChI InChI=1/C22H20F2N8O/c1-4-17-22(33)31(3)18-10-25-20(28-21(18)32(17)13-8-27-30(2)11-13)15-9-26-29-19(15)14-6-5-12(23)7-16(14)24/h5-11,17H,4H2,1-3H3,(H,26,29)/t17-/s2
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436733
PNG
(CHEMBL2401958)
Show SMILES CN1C(=O)C(CC(F)(F)F)N(CCC(F)(F)F)c2nc(ncc12)-n1ccnc1-c1ccc(F)cc1
Show InChI InChI=1/C21H17F7N6O/c1-32-15-11-30-19(34-9-7-29-16(34)12-2-4-13(22)5-3-12)31-17(15)33(8-6-20(23,24)25)14(18(32)35)10-21(26,27)28/h2-5,7,9,11,14H,6,8,10H2,1H3
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436740
PNG
(CHEMBL2402086)
Show SMILES CCC1N(c2cnn(C)c2)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1nccs1
Show InChI InChI=1/C19H19N9OS/c1-4-13-19(29)27(3)14-9-21-16(12-8-22-25-15(12)18-20-5-6-30-18)24-17(14)28(13)11-7-23-26(2)10-11/h5-10,13H,4H2,1-3H3,(H,22,25)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (Human))
BDBM25617
PNG
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
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n/an/a 130n/an/an/an/a7.522



Plexxikon



Assay Description
Enzyme activity was assayed using Z-LYTE Enzymatic Kinase Assay format (Invitrogen Corp., Carlsbad, CA) according to the manufacturer instructions.


Proc Natl Acad Sci U S A 105: 3041-6 (2008)


Article DOI: 10.1073/pnas.0711741105
BindingDB Entry DOI: 10.7270/Q2SB441T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM25617
PNG
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
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n/an/a 160n/an/an/an/a7.022



Plexxikon



Assay Description
The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...


Proc Natl Acad Sci U S A 105: 3041-6 (2008)


Article DOI: 10.1073/pnas.0711741105
BindingDB Entry DOI: 10.7270/Q2SB441T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436739
PNG
(CHEMBL2401957)
Show SMILES CCC1N(c2cnn(C)c2)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1/C21H21N9O/c1-4-16-21(31)29(3)17-11-23-19(26-20(17)30(16)13-9-25-28(2)12-13)14-10-24-27-18(14)15-7-5-6-8-22-15/h5-12,16H,4H2,1-3H3,(H,24,27)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432175
PNG
(CHEMBL2346800)
Show SMILES CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2nc3ccncc3c(=O)[nH]2)=N1
Show InChI InChI=1/C26H24ClN5O/c1-26(2)14-17-13-18(27)8-9-19(17)23(32-26)30-22(12-16-6-4-3-5-7-16)24-29-21-10-11-28-15-20(21)25(33)31-24/h3-11,13,15,22H,12,14H2,1-2H3,(H,30,32)(H,29,31,33)/t22-/s2
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n/an/a 170n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of BACE-1 (unknown origin) by alpha screen assay


Bioorg Med Chem Lett 23: 2181-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.103
BindingDB Entry DOI: 10.7270/Q25B03WH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50436749
PNG
(CHEMBL2401966)
Show SMILES CC[C@H]1N(CCC(F)(F)F)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1
Show InChI InChI=1/C21H21F3N6O/c1-3-15-19(31)28(2)16-13-26-20(27-18(16)29(15)11-9-21(22,23)24)30-12-10-25-17(30)14-7-5-4-6-8-14/h4-8,10,12-13,15H,3,9,11H2,1-2H3/t15-/s2
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk1 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50436748
PNG
(CHEMBL2402083)
Show SMILES CC[C@H]1N(C2CCOCC2)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1nccs1
Show InChI InChI=1/C20H23N7O2S/c1-3-14-20(28)26(2)15-11-22-17(13-10-23-25-16(13)19-21-6-9-30-19)24-18(15)27(14)12-4-7-29-8-5-12/h6,9-12,14H,3-5,7-8H2,1-2H3,(H,23,25)/t14-/s2
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk1 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50436747
PNG
(CHEMBL2401968)
Show SMILES CCC1N(C2CCC(F)(F)C2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1
Show InChI InChI=1/C23H23F3N6O/c1-3-17-21(33)30(2)18-13-28-22(29-20(18)32(17)16-8-9-23(25,26)12-16)31-11-10-27-19(31)14-4-6-15(24)7-5-14/h4-7,10-11,13,16-17H,3,8-9,12H2,1-2H3
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk1 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50436746
PNG
(CHEMBL2401971)
Show SMILES CC[C@H]1N([C@H]2CCOC2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1
Show InChI InChI=1/C22H24N6O2/c1-3-17-21(29)26(2)18-13-24-22(25-20(18)28(17)16-9-12-30-14-16)27-11-10-23-19(27)15-7-5-4-6-8-15/h4-8,10-11,13,16-17H,3,9,12,14H2,1-2H3/t16-,17+/s2
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk1 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432173
PNG
(CHEMBL2346802)
Show SMILES CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2ncc(C#N)c(=O)[nH]2)=N1
Show InChI InChI=1/C24H22ClN5O/c1-24(2)12-16-11-18(25)8-9-19(16)21(30-24)28-20(10-15-6-4-3-5-7-15)22-27-14-17(13-26)23(31)29-22/h3-9,11,14,20H,10,12H2,1-2H3,(H,28,30)(H,27,29,31)/t20-/s2
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n/an/a 470n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of BACE-1 (unknown origin) by alpha screen assay


Bioorg Med Chem Lett 23: 2181-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.103
BindingDB Entry DOI: 10.7270/Q25B03WH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50436745
PNG
(CHEMBL2401972)
Show SMILES CC[C@H]1N([C@@H]2CCOC2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1
Show InChI InChI=1/C22H24N6O2/c1-3-17-21(29)26(2)18-13-24-22(25-20(18)28(17)16-9-12-30-14-16)27-11-10-23-19(27)15-7-5-4-6-8-15/h4-8,10-11,13,16-17H,3,9,12,14H2,1-2H3/t16-,17-/s2
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n/an/a 480n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk1 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436742
PNG
(CHEMBL2402081)
Show SMILES CC[C@H]1N(c2ccn(C)n2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1
Show InChI InChI=1/C22H21FN8O/c1-4-16-21(32)29(3)17-13-25-22(26-20(17)31(16)18-9-11-28(2)27-18)30-12-10-24-19(30)14-5-7-15(23)8-6-14/h5-13,16H,4H2,1-3H3/t16-/s2
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n/an/a 480n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Plk2 (unknown origin) transfected in HEK293 cells assessed as inhibition of alpha-synuclein phosphorylation at ser129 after 2 hrs by EL...


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436724
PNG
(CHEMBL2402082)
Show SMILES CC[C@H]1N(c2ccnn2C)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1
Show InChI InChI=1/C22H21FN8O/c1-4-16-21(32)28(2)17-13-25-22(27-20(17)31(16)18-9-10-26-29(18)3)30-12-11-24-19(30)14-5-7-15(23)8-6-14/h5-13,16H,4H2,1-3H3/t16-/s2
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n/an/a 532n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432174
PNG
(CHEMBL2346801)
Show SMILES CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2ncc(Cl)c(=O)[nH]2)=N1
Show InChI InChI=1/C23H22Cl2N4O/c1-23(2)12-15-11-16(24)8-9-17(15)20(29-23)27-19(10-14-6-4-3-5-7-14)21-26-13-18(25)22(30)28-21/h3-9,11,13,19H,10,12H2,1-2H3,(H,27,29)(H,26,28,30)/t19-/s2
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n/an/a 560n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of BACE-1 (unknown origin) by alpha screen assay


Bioorg Med Chem Lett 23: 2181-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.103
BindingDB Entry DOI: 10.7270/Q25B03WH
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432171
PNG
(CHEMBL2346804)
Show SMILES CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2ncc(I)c(=O)[nH]2)=N1
Show InChI InChI=1/C23H22ClIN4O/c1-23(2)12-15-11-16(24)8-9-17(15)20(29-23)27-19(10-14-6-4-3-5-7-14)21-26-13-18(25)22(30)28-21/h3-9,11,13,19H,10,12H2,1-2H3,(H,27,29)(H,26,28,30)/t19-/s2
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n/an/a 590n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of BACE-1 (unknown origin) by alpha screen assay


Bioorg Med Chem Lett 23: 2181-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.103
BindingDB Entry DOI: 10.7270/Q25B03WH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436734
PNG
(CHEMBL2402079)
Show SMILES CCC1N(c2ccn[nH]2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1
Show InChI InChI=1/C21H19FN8O/c1-3-15-20(31)28(2)16-12-24-21(26-19(16)30(15)17-8-9-25-27-17)29-11-10-23-18(29)13-4-6-14(22)7-5-13/h4-12,15H,3H2,1-2H3,(H,25,27)
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n/an/a 740n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Plk2 (unknown origin) transfected in HEK293 cells assessed as inhibition of alpha-synuclein phosphorylation at ser129 after 2 hrs by EL...


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432179
PNG
(CHEMBL2346796)
Show SMILES CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2nc(=O)o[nH]2)=N1
Show InChI InChI=1/C21H21ClN4O2/c1-21(2)12-14-11-15(22)8-9-16(14)18(25-21)23-17(19-24-20(27)28-26-19)10-13-6-4-3-5-7-13/h3-9,11,17H,10,12H2,1-2H3,(H,23,25)(H,24,26,27)/t17-/s2
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n/an/a 750n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of BACE-1 (unknown origin) by alpha screen assay


Bioorg Med Chem Lett 23: 2181-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.103
BindingDB Entry DOI: 10.7270/Q25B03WH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50436721
PNG
(CHEMBL2401964)
Show SMILES CC[C@H]1N(C(C)C)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1nccs1
Show InChI InChI=1/C18H21N7OS/c1-5-12-18(26)24(4)13-9-20-15(22-16(13)25(12)10(2)3)11-8-21-23-14(11)17-19-6-7-27-17/h6-10,12H,5H2,1-4H3,(H,21,23)/t12-/s2
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n/an/a 770n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk1 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436735
PNG
(CHEMBL2402080)
Show SMILES CC[C@H]1N(c2cnn(C)c2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1
Show InChI InChI=1/C22H21FN8O/c1-4-17-21(32)29(3)18-12-25-22(27-20(18)31(17)16-11-26-28(2)13-16)30-10-9-24-19(30)14-5-7-15(23)8-6-14/h5-13,17H,4H2,1-3H3/t17-/s2
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Plk2 (unknown origin) transfected in HEK293 cells assessed as inhibition of alpha-synuclein phosphorylation at ser129 after 2 hrs by EL...


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50436744
PNG
(CHEMBL2401965)
Show SMILES CC[C@H]1N(C(C)C)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1
Show InChI InChI=1/C21H24N6O/c1-5-16-20(28)25(4)17-13-23-21(24-19(17)27(16)14(2)3)26-12-11-22-18(26)15-9-7-6-8-10-15/h6-14,16H,5H2,1-4H3/t16-/s2
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n/an/a 870n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk1 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436722
PNG
(CHEMBL2401970)
Show SMILES CC[C@H]1N(C2COC2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1
Show InChI InChI=1/C21H21FN6O2/c1-3-16-20(29)26(2)17-10-24-21(25-19(17)28(16)15-11-30-12-15)27-9-8-23-18(27)13-4-6-14(22)7-5-13/h4-10,15-16H,3,11-12H2,1-2H3/t16-/s2
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n/an/a 1.04E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50436725
PNG
(CHEMBL2401960)
Show SMILES CC(C)N1c2nc(ncc2N(C)C(=O)C11CCC1)-n1ccnc1-c1ccc(F)cc1
Show InChI InChI=1S/C22H23FN6O/c1-14(2)29-19-17(27(3)20(30)22(29)9-4-10-22)13-25-21(26-19)28-12-11-24-18(28)15-5-7-16(23)8-6-15/h5-8,11-14H,4,9-10H2,1-3H3
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n/an/a 1.15E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50436743
PNG
(CHEMBL2401956)
Show SMILES CC[C@H]1N(c2cnn(C)c2)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1ccc(F)cc1F
Show InChI InChI=1/C22H20F2N8O/c1-4-17-22(33)31(3)18-10-25-20(28-21(18)32(17)13-8-27-30(2)11-13)15-9-26-29-19(15)14-6-5-12(23)7-16(14)24/h5-11,17H,4H2,1-3H3,(H,26,29)/t17-/s2
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n/an/a 1.26E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Plk1 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 2743-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.065
BindingDB Entry DOI: 10.7270/Q28G8N4M
More data for this
Ligand-Target Pair
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