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Compile Data Set for Download or QSAR

Found 111 hits Enz. Inhib. hit(s) with all data for entry = 50001563   
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 PLK2


(Homo sapiens (Human))
BDBM50285537
PNG
(CHEMBL4166771)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NC)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C21H28N6O3S/c1-4-17-20(28)26(3)18-13-23-21(25-19(18)27(17)15-7-5-6-8-15)24-14-9-11-16(12-10-14)31(29,30)22-2/h9-13,15,17,22H,4-8H2,1-3H3,(H,23,24,25)/t17-/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50285547
PNG
(CHEMBL4171770)
Show SMILES CCNC(=O)c1ccc2n(ccc2c1)-c1ncc2N(C)C(=O)[C@@H](CC)N(C3CCCC3)c2n1 |r|
Show InChI InChI=1S/C25H30N6O2/c1-4-19-24(33)29(3)21-15-27-25(28-22(21)31(19)18-8-6-7-9-18)30-13-12-16-14-17(10-11-20(16)30)23(32)26-5-2/h10-15,18-19H,4-9H2,1-3H3,(H,26,32)/t19-/m1/s1
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n/an/a 4.90n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM25121
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50285531
PNG
(CHEMBL4175722)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC1CCCC1 |r|
Show InChI InChI=1S/C28H34N6O2/c1-3-22-27(36)32(2)24-17-29-28(31-25(24)34(22)21-10-6-7-11-21)33-15-14-18-16-19(12-13-23(18)33)26(35)30-20-8-4-5-9-20/h12-17,20-22H,3-11H2,1-2H3,(H,30,35)/t22-/m1/s1
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n/an/a 7.10n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50285587
PNG
(CHEMBL4176983)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NCCO)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C22H30N6O4S/c1-3-18-21(30)27(2)19-14-23-22(26-20(19)28(18)16-6-4-5-7-16)25-15-8-10-17(11-9-15)33(31,32)24-12-13-29/h8-11,14,16,18,24,29H,3-7,12-13H2,1-2H3,(H,23,25,26)/t18-/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50285526
PNG
(CHEMBL4169129)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NCCCO)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C23H32N6O4S/c1-3-19-22(31)28(2)20-15-24-23(27-21(20)29(19)17-7-4-5-8-17)26-16-9-11-18(12-10-16)34(32,33)25-13-6-14-30/h9-12,15,17,19,25,30H,3-8,13-14H2,1-2H3,(H,24,26,27)/t19-/m1/s1
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n/an/a 8.20n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50285580
PNG
(CHEMBL4163892)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC |r|
Show InChI InChI=1S/C24H28N6O2/c1-4-18-23(32)28(3)20-14-26-24(27-21(20)30(18)17-7-5-6-8-17)29-12-11-15-13-16(22(31)25-2)9-10-19(15)29/h9-14,17-18H,4-8H2,1-3H3,(H,25,31)/t18-/m1/s1
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n/an/a 8.60n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50285583
PNG
(CHEMBL4168155)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(N)(=O)=O)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C20H26N6O3S/c1-3-16-19(27)25(2)17-12-22-20(24-18(17)26(16)14-6-4-5-7-14)23-13-8-10-15(11-9-13)30(21,28)29/h8-12,14,16H,3-7H2,1-2H3,(H2,21,28,29)(H,22,23,24)/t16-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50285586
PNG
(CHEMBL4164012)
Show SMILES CCCNC(=O)c1ccc2n(ccc2c1)-c1ncc2N(C)C(=O)[C@@H](CC)N(C3CCCC3)c2n1 |r|
Show InChI InChI=1S/C26H32N6O2/c1-4-13-27-24(33)18-10-11-21-17(15-18)12-14-31(21)26-28-16-22-23(29-26)32(19-8-6-7-9-19)20(5-2)25(34)30(22)3/h10-12,14-16,19-20H,4-9,13H2,1-3H3,(H,27,33)/t20-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM25121
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50285537
PNG
(CHEMBL4166771)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NC)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C21H28N6O3S/c1-4-17-20(28)26(3)18-13-23-21(25-19(18)27(17)15-7-5-6-8-15)24-14-9-11-16(12-10-14)31(29,30)22-2/h9-13,15,17,22H,4-8H2,1-3H3,(H,23,24,25)/t17-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50285528
PNG
(CHEMBL4160611)
Show SMILES CCCCNC(=O)c1ccc2n(ccc2c1)-c1ncc2N(C)C(=O)[C@@H](CC)N(C3CCCC3)c2n1 |r|
Show InChI InChI=1S/C27H34N6O2/c1-4-6-14-28-25(34)19-11-12-22-18(16-19)13-15-32(22)27-29-17-23-24(30-27)33(20-9-7-8-10-20)21(5-2)26(35)31(23)3/h11-13,15-17,20-21H,4-10,14H2,1-3H3,(H,28,34)/t21-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50285539
PNG
(CHEMBL4174667)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC(C)C |r|
Show InChI InChI=1S/C26H32N6O2/c1-5-20-25(34)30(4)22-15-27-26(29-23(22)32(20)19-8-6-7-9-19)31-13-12-17-14-18(10-11-21(17)31)24(33)28-16(2)3/h10-16,19-20H,5-9H2,1-4H3,(H,28,33)/t20-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50285529
PNG
(CHEMBL4177399)
Show SMILES CCCNS(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)[C@@H](CC)N(C4CCCC4)c3n2)cc1 |r|
Show InChI InChI=1S/C23H32N6O3S/c1-4-14-25-33(31,32)18-12-10-16(11-13-18)26-23-24-15-20-21(27-23)29(17-8-6-7-9-17)19(5-2)22(30)28(20)3/h10-13,15,17,19,25H,4-9,14H2,1-3H3,(H,24,26,27)/t19-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50285588
PNG
(CHEMBL4171224)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NCC(C)C |r|
Show InChI InChI=1S/C27H34N6O2/c1-5-21-26(35)31(4)23-16-29-27(30-24(23)33(21)20-8-6-7-9-20)32-13-12-18-14-19(10-11-22(18)32)25(34)28-15-17(2)3/h10-14,16-17,20-21H,5-9,15H2,1-4H3,(H,28,34)/t21-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50285582
PNG
(CHEMBL4170176)
Show SMILES CCCCNS(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)[C@@H](CC)N(C4CCCC4)c3n2)cc1 |r|
Show InChI InChI=1S/C24H34N6O3S/c1-4-6-15-26-34(32,33)19-13-11-17(12-14-19)27-24-25-16-21-22(28-24)30(18-9-7-8-10-18)20(5-2)23(31)29(21)3/h11-14,16,18,20,26H,4-10,15H2,1-3H3,(H,25,27,28)/t20-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM25121
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant GST-tagged Plk3 catalytic domain (58 to 340 residues) expressed in baculovirus expression system after 1 hr by FRET-base...


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50285545
PNG
(CHEMBL4162262)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NCC(C)C)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C24H34N6O3S/c1-5-20-23(31)29(4)21-15-25-24(28-22(21)30(20)18-8-6-7-9-18)27-17-10-12-19(13-11-17)34(32,33)26-14-16(2)3/h10-13,15-16,18,20,26H,5-9,14H2,1-4H3,(H,25,27,28)/t20-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50285581
PNG
(CHEMBL4173620)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NC3CCCC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C25H34N6O3S/c1-3-21-24(32)30(2)22-16-26-25(28-23(22)31(21)19-10-6-7-11-19)27-17-12-14-20(15-13-17)35(33,34)29-18-8-4-5-9-18/h12-16,18-19,21,29H,3-11H2,1-2H3,(H,26,27,28)/t21-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50285587
PNG
(CHEMBL4176983)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NCCO)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C22H30N6O4S/c1-3-18-21(30)27(2)19-14-23-22(26-20(19)28(18)16-6-4-5-7-16)25-15-8-10-17(11-9-15)33(31,32)24-12-13-29/h8-11,14,16,18,24,29H,3-7,12-13H2,1-2H3,(H,23,25,26)/t18-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50285525
PNG
(CHEMBL4161572)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(N)=O |r|
Show InChI InChI=1S/C23H26N6O2/c1-3-17-22(31)27(2)19-13-25-23(26-21(19)29(17)16-6-4-5-7-16)28-11-10-14-12-15(20(24)30)8-9-18(14)28/h8-13,16-17H,3-7H2,1-2H3,(H2,24,30)/t17-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50285526
PNG
(CHEMBL4169129)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NCCCO)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C23H32N6O4S/c1-3-19-22(31)28(2)20-15-24-23(27-21(20)29(19)17-7-4-5-8-17)26-16-9-11-18(12-10-16)34(32,33)25-13-6-14-30/h9-12,15,17,19,25,30H,3-8,13-14H2,1-2H3,(H,24,26,27)/t19-/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50285529
PNG
(CHEMBL4177399)
Show SMILES CCCNS(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)[C@@H](CC)N(C4CCCC4)c3n2)cc1 |r|
Show InChI InChI=1S/C23H32N6O3S/c1-4-14-25-33(31,32)18-12-10-16(11-13-18)26-23-24-15-20-21(27-23)29(17-8-6-7-9-17)19(5-2)22(30)28(20)3/h10-13,15,17,19,25H,4-9,14H2,1-3H3,(H,24,26,27)/t19-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50285537
PNG
(CHEMBL4166771)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NC)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C21H28N6O3S/c1-4-17-20(28)26(3)18-13-23-21(25-19(18)27(17)15-7-5-6-8-15)24-14-9-11-16(12-10-14)31(29,30)22-2/h9-13,15,17,22H,4-8H2,1-3H3,(H,23,24,25)/t17-/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant GST-tagged Plk3 catalytic domain (58 to 340 residues) expressed in baculovirus expression system after 1 hr by FRET-base...


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50285582
PNG
(CHEMBL4170176)
Show SMILES CCCCNS(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)[C@@H](CC)N(C4CCCC4)c3n2)cc1 |r|
Show InChI InChI=1S/C24H34N6O3S/c1-4-6-15-26-34(32,33)19-13-11-17(12-14-19)27-24-25-16-21-22(28-24)30(18-9-7-8-10-18)20(5-2)23(31)29(21)3/h11-14,16,18,20,26H,4-10,15H2,1-3H3,(H,25,27,28)/t20-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50285531
PNG
(CHEMBL4175722)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC1CCCC1 |r|
Show InChI InChI=1S/C28H34N6O2/c1-3-22-27(36)32(2)24-17-29-28(31-25(24)34(22)21-10-6-7-11-21)33-15-14-18-16-19(12-13-23(18)33)26(35)30-20-8-4-5-9-20/h12-17,20-22H,3-11H2,1-2H3,(H,30,35)/t22-/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50285545
PNG
(CHEMBL4162262)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NCC(C)C)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C24H34N6O3S/c1-5-20-23(31)29(4)21-15-25-24(28-22(21)30(20)18-8-6-7-9-18)27-17-10-12-19(13-11-17)34(32,33)26-14-16(2)3/h10-13,15-16,18,20,26H,5-9,14H2,1-4H3,(H,25,27,28)/t20-/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50285581
PNG
(CHEMBL4173620)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NC3CCCC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C25H34N6O3S/c1-3-21-24(32)30(2)22-16-26-25(28-23(22)31(21)19-10-6-7-11-19)27-17-12-14-20(15-13-17)35(33,34)29-18-8-4-5-9-18/h12-16,18-19,21,29H,3-11H2,1-2H3,(H,26,27,28)/t21-/m1/s1
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n/an/a 52n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50285536
PNG
(CHEMBL4165706)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)Nc3ccccc3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C26H30N6O3S/c1-3-22-25(33)31(2)23-17-27-26(29-24(23)32(22)20-11-7-8-12-20)28-18-13-15-21(16-14-18)36(34,35)30-19-9-5-4-6-10-19/h4-6,9-10,13-17,20,22,30H,3,7-8,11-12H2,1-2H3,(H,27,28,29)/t22-/m1/s1
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n/an/a 54n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50285547
PNG
(CHEMBL4171770)
Show SMILES CCNC(=O)c1ccc2n(ccc2c1)-c1ncc2N(C)C(=O)[C@@H](CC)N(C3CCCC3)c2n1 |r|
Show InChI InChI=1S/C25H30N6O2/c1-4-19-24(33)29(3)21-15-27-25(28-22(21)31(19)18-8-6-7-9-18)30-13-12-16-14-17(10-11-20(16)30)23(32)26-5-2/h10-15,18-19H,4-9H2,1-3H3,(H,26,32)/t19-/m1/s1
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n/an/a 62n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50285583
PNG
(CHEMBL4168155)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(N)(=O)=O)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C20H26N6O3S/c1-3-16-19(27)25(2)17-12-22-20(24-18(17)26(16)14-6-4-5-7-14)23-13-8-10-15(11-9-13)30(21,28)29/h8-12,14,16H,3-7H2,1-2H3,(H2,21,28,29)(H,22,23,24)/t16-/m1/s1
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n/an/a 65n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50285548
PNG
(CHEMBL4172511)
Show SMILES CCC1N(c2ccn(C)n2)c2nc(Nc3ccc(cc3)S(=O)(=O)NC)ncc2N(C)C1=O
Show InChI InChI=1S/C20H24N8O3S/c1-5-15-19(29)27(4)16-12-22-20(24-18(16)28(15)17-10-11-26(3)25-17)23-13-6-8-14(9-7-13)32(30,31)21-2/h6-12,15,21H,5H2,1-4H3,(H,22,23,24)
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n/an/a 72n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50285586
PNG
(CHEMBL4164012)
Show SMILES CCCNC(=O)c1ccc2n(ccc2c1)-c1ncc2N(C)C(=O)[C@@H](CC)N(C3CCCC3)c2n1 |r|
Show InChI InChI=1S/C26H32N6O2/c1-4-13-27-24(33)18-10-11-21-17(15-18)12-14-31(21)26-28-16-22-23(29-26)32(19-8-6-7-9-19)20(5-2)25(34)30(22)3/h10-12,14-16,19-20H,4-9,13H2,1-3H3,(H,27,33)/t20-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50285583
PNG
(CHEMBL4168155)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(N)(=O)=O)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C20H26N6O3S/c1-3-16-19(27)25(2)17-12-22-20(24-18(17)26(16)14-6-4-5-7-14)23-13-8-10-15(11-9-13)30(21,28)29/h8-12,14,16H,3-7H2,1-2H3,(H2,21,28,29)(H,22,23,24)/t16-/m1/s1
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n/an/a 81n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant GST-tagged Plk3 catalytic domain (58 to 340 residues) expressed in baculovirus expression system after 1 hr by FRET-base...


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50285534
PNG
(CHEMBL4164082)
Show SMILES CCC1N(c2ccn(C)n2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC1CCCC1
Show InChI InChI=1S/C27H30N8O2/c1-4-20-26(37)33(3)22-16-28-27(30-24(22)35(20)23-12-13-32(2)31-23)34-14-11-17-15-18(9-10-21(17)34)25(36)29-19-7-5-6-8-19/h9-16,19-20H,4-8H2,1-3H3,(H,29,36)
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n/an/a 91n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50285580
PNG
(CHEMBL4163892)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC |r|
Show InChI InChI=1S/C24H28N6O2/c1-4-18-23(32)28(3)20-14-26-24(27-21(20)30(18)17-7-5-6-8-17)29-12-11-15-13-16(22(31)25-2)9-10-19(15)29/h9-14,17-18H,4-8H2,1-3H3,(H,25,31)/t18-/m1/s1
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n/an/a 94n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50285539
PNG
(CHEMBL4174667)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC(C)C |r|
Show InChI InChI=1S/C26H32N6O2/c1-5-20-25(34)30(4)22-15-27-26(29-23(22)32(20)19-8-6-7-9-19)31-13-12-17-14-18(10-11-21(17)31)24(33)28-16(2)3/h10-16,19-20H,5-9H2,1-4H3,(H,28,33)/t20-/m1/s1
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n/an/a 98n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50285536
PNG
(CHEMBL4165706)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)Nc3ccccc3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C26H30N6O3S/c1-3-22-25(33)31(2)23-17-27-26(29-24(23)32(22)20-11-7-8-12-20)28-18-13-15-21(16-14-18)36(34,35)30-19-9-5-4-6-10-19/h4-6,9-10,13-17,20,22,30H,3,7-8,11-12H2,1-2H3,(H,27,28,29)/t22-/m1/s1
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n/an/a 109n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50285532
PNG
(CHEMBL4161861)
Show SMILES CCC1N(c2ccn(C)n2)c2nc(Nc3ccc(cc3)S(N)(=O)=O)ncc2N(C)C1=O
Show InChI InChI=1S/C19H22N8O3S/c1-4-14-18(28)26(3)15-11-21-19(22-12-5-7-13(8-6-12)31(20,29)30)23-17(15)27(14)16-9-10-25(2)24-16/h5-11,14H,4H2,1-3H3,(H2,20,29,30)(H,21,22,23)
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n/an/a 121n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50285588
PNG
(CHEMBL4171224)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NCC(C)C |r|
Show InChI InChI=1S/C27H34N6O2/c1-5-21-26(35)31(4)23-16-29-27(30-24(23)33(21)20-8-6-7-9-20)32-13-12-18-14-19(10-11-22(18)32)25(34)28-15-17(2)3/h10-14,16-17,20-21H,5-9,15H2,1-4H3,(H,28,34)/t21-/m1/s1
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n/an/a 122n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50285544
PNG
(CHEMBL4171281)
Show SMILES CCC1N(c2ccn(C)n2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC(C)C
Show InChI InChI=1S/C25H28N8O2/c1-6-18-24(35)31(5)20-14-26-25(28-22(20)33(18)21-10-11-30(4)29-21)32-12-9-16-13-17(7-8-19(16)32)23(34)27-15(2)3/h7-15,18H,6H2,1-5H3,(H,27,34)
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n/an/a 125n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50285587
PNG
(CHEMBL4176983)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NCCO)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C22H30N6O4S/c1-3-18-21(30)27(2)19-14-23-22(26-20(19)28(18)16-6-4-5-7-16)25-15-8-10-17(11-9-15)33(31,32)24-12-13-29/h8-11,14,16,18,24,29H,3-7,12-13H2,1-2H3,(H,23,25,26)/t18-/m1/s1
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n/an/a 146n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant GST-tagged Plk3 catalytic domain (58 to 340 residues) expressed in baculovirus expression system after 1 hr by FRET-base...


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50285542
PNG
(CHEMBL4160679)
Show SMILES CCCCNC(=O)c1ccc2n(ccc2c1)-c1ncc2N(C)C(=O)C(CC)N(c3ccn(C)n3)c2n1
Show InChI InChI=1S/C26H30N8O2/c1-5-7-12-27-24(35)18-8-9-20-17(15-18)10-14-33(20)26-28-16-21-23(29-26)34(22-11-13-31(3)30-22)19(6-2)25(36)32(21)4/h8-11,13-16,19H,5-7,12H2,1-4H3,(H,27,35)
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n/an/a 159n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Binding affinity against cruzaine


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50285527
PNG
(CHEMBL4174735)
Show SMILES CCC1N(c2ccn(C)n2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NCC(C)C
Show InChI InChI=1S/C26H30N8O2/c1-6-19-25(36)32(5)21-15-28-26(29-23(21)34(19)22-10-11-31(4)30-22)33-12-9-17-13-18(7-8-20(17)33)24(35)27-14-16(2)3/h7-13,15-16,19H,6,14H2,1-5H3,(H,27,35)
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n/an/a 159n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of guinea pig Iks potassium channel expressed in Xenopus oocytes


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50285528
PNG
(CHEMBL4160611)
Show SMILES CCCCNC(=O)c1ccc2n(ccc2c1)-c1ncc2N(C)C(=O)[C@@H](CC)N(C3CCCC3)c2n1 |r|
Show InChI InChI=1S/C27H34N6O2/c1-4-6-14-28-25(34)19-11-12-22-18(16-19)13-15-32(22)27-29-17-23-24(30-27)33(20-9-7-8-10-20)21(5-2)26(35)31(23)3/h11-13,15-17,20-21H,4-10,14H2,1-3H3,(H,28,34)/t21-/m1/s1
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n/an/a 162n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50285526
PNG
(CHEMBL4169129)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NCCCO)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C23H32N6O4S/c1-3-19-22(31)28(2)20-15-24-23(27-21(20)29(19)17-7-4-5-8-17)26-16-9-11-18(12-10-16)34(32,33)25-13-6-14-30/h9-12,15,17,19,25,30H,3-8,13-14H2,1-2H3,(H,24,26,27)/t19-/m1/s1
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n/an/a 165n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant GST-tagged Plk3 catalytic domain (58 to 340 residues) expressed in baculovirus expression system after 1 hr by FRET-base...


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50285535
PNG
(CHEMBL4168834)
Show SMILES CCCNS(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)C(CC)N(c4ccn(C)n4)c3n2)cc1
Show InChI InChI=1S/C22H28N8O3S/c1-5-12-24-34(32,33)16-9-7-15(8-10-16)25-22-23-14-18-20(26-22)30(19-11-13-28(3)27-19)17(6-2)21(31)29(18)4/h7-11,13-14,17,24H,5-6,12H2,1-4H3,(H,23,25,26)
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n/an/a 190n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50285578
PNG
(CHEMBL4176689)
Show SMILES CCCCNS(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)C(CC)N(c4ccn(C)n4)c3n2)cc1
Show InChI InChI=1S/C23H30N8O3S/c1-5-7-13-25-35(33,34)17-10-8-16(9-11-17)26-23-24-15-19-21(27-23)31(20-12-14-29(3)28-20)18(6-2)22(32)30(19)4/h8-12,14-15,18,25H,5-7,13H2,1-4H3,(H,24,26,27)
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n/an/a 191n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50285530
PNG
(CHEMBL4175615)
Show SMILES CCC1N(c2ccn(C)n2)c2nc(Nc3ccc(cc3)S(=O)(=O)NCCCO)ncc2N(C)C1=O
Show InChI InChI=1S/C22H28N8O4S/c1-4-17-21(32)29(3)18-14-23-22(26-20(18)30(17)19-10-12-28(2)27-19)25-15-6-8-16(9-7-15)35(33,34)24-11-5-13-31/h6-10,12,14,17,24,31H,4-5,11,13H2,1-3H3,(H,23,25,26)
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n/an/a 192n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50285529
PNG
(CHEMBL4177399)
Show SMILES CCCNS(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)[C@@H](CC)N(C4CCCC4)c3n2)cc1 |r|
Show InChI InChI=1S/C23H32N6O3S/c1-4-14-25-33(31,32)18-12-10-16(11-13-18)26-23-24-15-20-21(27-23)29(17-8-6-7-9-17)19(5-2)22(30)28(20)3/h10-13,15,17,19,25H,4-9,14H2,1-3H3,(H,24,26,27)/t19-/m1/s1
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n/an/a 204n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition human recombinant GST-tagged Plk3 catalytic domain (58 to 340 residues) expressed in baculovirus expression system after 1 hr by FRET-base...


Eur J Med Chem 143: 724-731 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT
More data for this
Ligand-Target Pair
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