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Compile Data Set for Download or QSAR

Found 42 hits with Last Name = 'jiang' and Initial = 'pd'   
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 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 0.800n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263317
PNG
((S)-allyl 2-cyano-2-(3-ethyl-4-oxo-5-((4-(3-(2-(py...)
Show SMILES CCN1C(=O)[C@H](CNc2ccc(NC(=O)NCCN3CCCC3)cc2)S\C1=C(\C#N)C(=O)OCC=C |r|
Show InChI InChI=1S/C25H32N6O4S/c1-3-15-35-24(33)20(16-26)23-31(4-2)22(32)21(36-23)17-28-18-7-9-19(10-8-18)29-25(34)27-11-14-30-12-5-6-13-30/h3,7-10,21,28H,1,4-6,11-15,17H2,2H3,(H2,27,29,34)/b23-20-/t21-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263318
PNG
(CHEMBL477408 | allyl 2-(5-((4-acetylphenylamino)me...)
Show SMILES CCN1C(=O)C(CNc2ccc(cc2)C(C)=O)S\C1=C(\C#N)C(=O)OCC=C
Show InChI InChI=1S/C20H21N3O4S/c1-4-10-27-20(26)16(11-21)19-23(5-2)18(25)17(28-19)12-22-15-8-6-14(7-9-15)13(3)24/h4,6-9,17,22H,1,5,10,12H2,2-3H3/b19-16-
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n/an/a 34n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263587
PNG
(CHEMBL477615 | propyl 2-cyano-2-(3-ethyl-5-((4-hyd...)
Show SMILES CCCOC(=O)C(\C#N)=c1/s\c(=C\Nc2ccc(O)cc2)c(=O)n1CC
Show InChI InChI=1S/C18H19N3O4S/c1-3-9-25-18(24)14(10-19)17-21(4-2)16(23)15(26-17)11-20-12-5-7-13(22)8-6-12/h5-8,11,20,22H,3-4,9H2,1-2H3/b15-11+,17-14-
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n/an/a 36n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263588
PNG
(CHEMBL477616 | ethyl 2-cyano-2-(3-ethyl-4-oxo-5-((...)
Show SMILES CCOC(=O)C(\C#N)=c1/s\c(=C\Nc2ccc(NC(=O)NCCN3CCCC3)cc2)c(=O)n1CC
Show InChI InChI=1S/C24H30N6O4S/c1-3-30-21(31)20(35-22(30)19(15-25)23(32)34-4-2)16-27-17-7-9-18(10-8-17)28-24(33)26-11-14-29-12-5-6-13-29/h7-10,16,27H,3-6,11-14H2,1-2H3,(H2,26,28,33)/b20-16+,22-19-
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n/an/a 37n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263356
PNG
(5-((2-(1-cyano-2-oxo-2-(2,2,2-trifluoroethylamino)...)
Show SMILES CCN(CC)CCNC(=O)c1c[nH]c2ccc(N\C=c3\s\c(=C(\C#N)C(=O)NCC(F)(F)F)n(CC)c3=O)cc12
Show InChI InChI=1S/C26H30F3N7O3S/c1-4-35(5-2)10-9-31-23(38)19-13-33-20-8-7-16(11-17(19)20)32-14-21-24(39)36(6-3)25(40-21)18(12-30)22(37)34-15-26(27,28)29/h7-8,11,13-14,32-33H,4-6,9-10,15H2,1-3H3,(H,31,38)(H,34,37)/b21-14+,25-18-
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n/an/a 41n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263589
PNG
(CHEMBL503480 | ethyl 2-(5-((m-toluidino)methylene)...)
Show SMILES CCOC(=O)C(\C#N)=c1/s\c(=C\Nc2cccc(C)c2)c(=O)n1CC
Show InChI InChI=1S/C18H19N3O3S/c1-4-21-16(22)15(11-20-13-8-6-7-12(3)9-13)25-17(21)14(10-19)18(23)24-5-2/h6-9,11,20H,4-5H2,1-3H3/b15-11+,17-14-
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n/an/a 46n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263442
PNG
(2-cyano-2-(5-((4-(2-(dimethylamino)ethoxy)phenylam...)
Show SMILES CCn1c(=O)\c(=C/Nc2ccc(OCCN(C)C)cc2)s\c1=C(\C#N)C(=O)NC#C
Show InChI InChI=1S/C21H23N5O3S/c1-5-23-19(27)17(13-22)21-26(6-2)20(28)18(30-21)14-24-15-7-9-16(10-8-15)29-12-11-25(3)4/h1,7-10,14,24H,6,11-12H2,2-4H3,(H,23,27)/b18-14+,21-17-
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n/an/a 71n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263443
PNG
(2-cyano-N-(2,2-difluoroethyl)-2-(5-((4-(2-(dimethy...)
Show SMILES CCn1c(=O)\c(=C/Nc2ccc(OCCN(C)C)cc2)s\c1=C(\C#N)C(=O)NCC(F)F
Show InChI InChI=1S/C21H25F2N5O3S/c1-4-28-20(30)17(32-21(28)16(11-24)19(29)26-13-18(22)23)12-25-14-5-7-15(8-6-14)31-10-9-27(2)3/h5-8,12,18,25H,4,9-10,13H2,1-3H3,(H,26,29)/b17-12+,21-16-
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n/an/a 74n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263643
PNG
(CHEMBL476575 | ethyl 2-(5-((4-acetylphenylamino)me...)
Show SMILES CCOC(=O)C(C#N)=c1sc(=CNc2ccc(cc2)C(C)=O)c(=O)n1CC |w:11.11,5.5|
Show InChI InChI=1S/C19H19N3O4S/c1-4-22-17(24)16(27-18(22)15(10-20)19(25)26-5-2)11-21-14-8-6-13(7-9-14)12(3)23/h6-9,11,21H,4-5H2,1-3H3
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n/an/a 81n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263444
PNG
(2-cyano-2-(3-ethyl-4-oxo-5-((4-(2-(pyrrolidin-1-yl...)
Show SMILES CCn1c(=O)\c(=C/Nc2ccc(CCN3CCCC3)cc2)s\c1=C(\C#N)C(=O)NCC(F)(F)F
Show InChI InChI=1S/C23H26F3N5O2S/c1-2-31-21(33)19(34-22(31)18(13-27)20(32)29-15-23(24,25)26)14-28-17-7-5-16(6-8-17)9-12-30-10-3-4-11-30/h5-8,14,28H,2-4,9-12,15H2,1H3,(H,29,32)/b19-14+,22-18-
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n/an/a 100n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263445
PNG
(CHEMBL476137 | ethyl 2-cyano-2-(3-ethyl-5-((2-fluo...)
Show SMILES CCOC(=O)C(\C#N)=c1/s\c(=C\Nc2ccccc2F)c(=O)n1CC
Show InChI InChI=1S/C17H16FN3O3S/c1-3-21-15(22)14(10-20-13-8-6-5-7-12(13)18)25-16(21)11(9-19)17(23)24-4-2/h5-8,10,20H,3-4H2,1-2H3/b14-10+,16-11-
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n/an/a 160n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263644
PNG
(CHEMBL476782 | N-(3-((2-(1-cyano-2-(1-(hydroxymeth...)
Show SMILES CCn1c(=O)\c(=C/Nc2cccc(NC(=O)C(C)(C)C)c2)s\c1=C(\C#N)C(=O)NC1(CO)CCCC1
Show InChI InChI=1S/C26H33N5O4S/c1-5-31-22(34)20(15-28-17-9-8-10-18(13-17)29-24(35)25(2,3)4)36-23(31)19(14-27)21(33)30-26(16-32)11-6-7-12-26/h8-10,13,15,28,32H,5-7,11-12,16H2,1-4H3,(H,29,35)(H,30,33)/b20-15+,23-19-
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n/an/a 190n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263446
PNG
(2-(3-ethyl-4-oxo-5-((phenylamino)methylene)thiazol...)
Show SMILES CCn1c(=O)\c(=C/Nc2ccccc2)s\c1=C(\C#N)C(=O)N1CCCC1
Show InChI InChI=1S/C19H20N4O2S/c1-2-23-18(25)16(13-21-14-8-4-3-5-9-14)26-19(23)15(12-20)17(24)22-10-6-7-11-22/h3-5,8-9,13,21H,2,6-7,10-11H2,1H3/b16-13+,19-15-
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n/an/a 270n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263489
PNG
(CHEMBL478654 | N-(3-(5-(2H-tetrazol-5-yl)-2-(2-(th...)
Show SMILES CN(C(C)=O)c1cccc(Nc2nc(NCCc3cccs3)ncc2-c2nnn[nH]2)c1
Show InChI InChI=1S/C20H21N9OS/c1-13(30)29(2)15-6-3-5-14(11-15)23-18-17(19-25-27-28-26-19)12-22-20(24-18)21-9-8-16-7-4-10-31-16/h3-7,10-12H,8-9H2,1-2H3,(H2,21,22,23,24)(H,25,26,27,28)
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n/an/a 330n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263645
PNG
(3-((2-(1-cyano-2-(ethylamino)-2-oxoethylidene)-3-e...)
Show SMILES CCNC(=O)C(\C#N)=c1/s\c(=C\Nc2cccc(c2)C(=O)NCCCN2CCCC2)c(=O)n1CC
Show InChI InChI=1S/C25H32N6O3S/c1-3-27-23(33)20(16-26)25-31(4-2)24(34)21(35-25)17-29-19-10-7-9-18(15-19)22(32)28-11-8-14-30-12-5-6-13-30/h7,9-10,15,17,29H,3-6,8,11-14H2,1-2H3,(H,27,33)(H,28,32)/b21-17+,25-20-
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n/an/a 345n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263646
PNG
(CHEMBL475947 | N2-(pyridin-3-ylmethyl)-5-(2H-tetra...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(NCc3cccnc3)ncc2-c2nnn[nH]2)cc1
Show InChI InChI=1S/C18H14F3N9/c19-18(20,21)12-3-5-13(6-4-12)25-15-14(16-27-29-30-28-16)10-24-17(26-15)23-9-11-2-1-7-22-8-11/h1-8,10H,9H2,(H2,23,24,25,26)(H,27,28,29,30)
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n/an/a 490n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263693
PNG
(CHEMBL516582 | ethyl 2-cyano-2-(3-ethyl-5-((4-(2-m...)
Show SMILES CCOC(=O)C(\C#N)=c1/s\c(=C\Nc2ccc(NC(=O)COC)cc2)c(=O)n1CC
Show InChI InChI=1S/C20H22N4O5S/c1-4-24-18(26)16(30-19(24)15(10-21)20(27)29-5-2)11-22-13-6-8-14(9-7-13)23-17(25)12-28-3/h6-9,11,22H,4-5,12H2,1-3H3,(H,23,25)/b16-11+,19-15-
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n/an/a 500n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM12107
PNG
(1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole 15 | 4-(4...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)Cc1cccs1
Show InChI InChI=1S/C23H26N6O2S/c1-27-8-10-28(11-9-27)17-6-4-16(5-7-17)23(31)24-22-19-14-29(15-20(19)25-26-22)21(30)13-18-3-2-12-32-18/h2-7,12H,8-11,13-15H2,1H3,(H2,24,25,26,31)
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n/an/a 530n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263490
PNG
(4-((cyclopropylmethyl)(propyl)amino)-2-(1-phenylet...)
Show SMILES CCCN(CC1CC1)c1nc(NC(C)c2ccccc2)ncc1C#N
Show InChI InChI=1S/C20H25N5/c1-3-11-25(14-16-9-10-16)19-18(12-21)13-22-20(24-19)23-15(2)17-7-5-4-6-8-17/h4-8,13,15-16H,3,9-11,14H2,1-2H3,(H,22,23,24)
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n/an/a 550n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263491
PNG
(4-(3-methoxyphenylamino)-2-(1-phenylethylamino)pyr...)
Show SMILES COc1cccc(Nc2nc(NC(C)c3ccccc3)ncc2C#N)c1
Show InChI InChI=1S/C20H19N5O/c1-14(15-7-4-3-5-8-15)23-20-22-13-16(12-21)19(25-20)24-17-9-6-10-18(11-17)26-2/h3-11,13-14H,1-2H3,(H2,22,23,24,25)
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n/an/a 580n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263492
PNG
(4-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(1-phenyleth...)
Show SMILES CC(Nc1ncc(C#N)c(n1)N1CCc2ccccc2C1)c1ccccc1
Show InChI InChI=1S/C22H21N5/c1-16(17-7-3-2-4-8-17)25-22-24-14-20(13-23)21(26-22)27-12-11-18-9-5-6-10-19(18)15-27/h2-10,14,16H,11-12,15H2,1H3,(H,24,25,26)
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n/an/a 750n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263530
PNG
(CHEMBL476145 | N4-(4-tert-butylphenyl)-N2-(pyridin...)
Show SMILES CC(C)(C)c1ccc(Nc2nc(NCc3cccnc3)ncc2-c2nnn[nH]2)cc1
Show InChI InChI=1S/C21H23N9/c1-21(2,3)15-6-8-16(9-7-15)25-18-17(19-27-29-30-28-19)13-24-20(26-18)23-12-14-5-4-10-22-11-14/h4-11,13H,12H2,1-3H3,(H2,23,24,25,26)(H,27,28,29,30)
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n/an/a 960n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263531
PNG
(CHEMBL476146 | N4-(2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES C(Cc1cccs1)Nc1ncc(-c2nnn[nH]2)c(Nc2ccc3OCCOc3c2)n1
Show InChI InChI=1S/C19H18N8O2S/c1-2-13(30-9-1)5-6-20-19-21-11-14(18-24-26-27-25-18)17(23-19)22-12-3-4-15-16(10-12)29-8-7-28-15/h1-4,9-11H,5-8H2,(H2,20,21,22,23)(H,24,25,26,27)
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n/an/a 1.04E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263695
PNG
(2-(benzo[d][1,3]dioxol-5-ylmethylamino)-4-((cyclop...)
Show SMILES CCCN(CC1CC1)c1nc(NCc2ccc3OCOc3c2)ncc1C#N
Show InChI InChI=1S/C20H23N5O2/c1-2-7-25(12-14-3-4-14)19-16(9-21)11-23-20(24-19)22-10-15-5-6-17-18(8-15)27-13-26-17/h5-6,8,11,14H,2-4,7,10,12-13H2,1H3,(H,22,23,24)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263694
PNG
(2-(1-phenylethylamino)-4-((tetrahydro-2H-pyran-2-y...)
Show SMILES CC(Nc1ncc(C#N)c(OCC2CCCCO2)n1)c1ccccc1
Show InChI InChI=1S/C19H22N4O2/c1-14(15-7-3-2-4-8-15)22-19-21-12-16(11-20)18(23-19)25-13-17-9-5-6-10-24-17/h2-4,7-8,12,14,17H,5-6,9-10,13H2,1H3,(H,21,22,23)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263696
PNG
(3-(4-hydroxybenzylidene)-1-(3-(4-hydroxybenzyliden...)
Show SMILES Oc1ccc(\C=C2\C(=O)C(C3=C4C(=Nc5ccccc45)\C(=C/c4ccc(O)cc4)C3=O)=C3C2=Nc2ccccc32)cc1 |c:12,34,t:10,37|
Show InChI InChI=1S/C36H20N2O4/c39-21-13-9-19(10-14-21)17-25-33-29(23-5-1-3-7-27(23)37-33)31(35(25)41)32-30-24-6-2-4-8-28(24)38-34(30)26(36(32)42)18-20-11-15-22(40)16-12-20/h1-18,39-40H/b25-17+,26-18+
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n/an/a 2.00E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263697
PNG
(7-Nitro-3-oxy-5-trifluoromethyl-benzothiazole-2-ca...)
Show SMILES NC(=O)c1sc2c(cc(cc2[n+]1[O-])C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C9H4F3N3O4S/c10-9(11,12)3-1-4-6(5(2-3)15(18)19)20-8(7(13)16)14(4)17/h1-2H,(H2,13,16)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM8053
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 24 | 4...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C15H14N4OS/c1-9-14(21-10(2)17-9)13-7-8-16-15(19-13)18-11-3-5-12(20)6-4-11/h3-8,20H,1-2H3,(H,16,18,19)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263532
PNG
(4-(3-nitrophenyl)-N-(4-nitrophenyl)pyrimidin-2-ami...)
Show SMILES [O-][N+](=O)c1ccc(Nc2nccc(n2)-c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H11N5O4/c22-20(23)13-6-4-12(5-7-13)18-16-17-9-8-15(19-16)11-2-1-3-14(10-11)21(24)25/h1-10H,(H,17,18,19)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263533
PNG
(CHEMBL455343 | N-(3-(2-(4-hydroxyphenylamino)pyrim...)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccnc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C18H16N4O2/c1-12(23)20-15-4-2-3-13(11-15)17-9-10-19-18(22-17)21-14-5-7-16(24)8-6-14/h2-11,24H,1H3,(H,20,23)(H,19,21,22)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263698
PNG
(4-[4-(3-Amino-phenyl)-pyrimidin-2-ylamino]-phenol ...)
Show SMILES Nc1cccc(c1)-c1ccnc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C16H14N4O/c17-12-3-1-2-11(10-12)15-8-9-18-16(20-15)19-13-4-6-14(21)7-5-13/h1-10,21H,17H2,(H,18,19,20)
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n/an/a 7.80E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263534
PNG
(4-(3-chlorophenyl)-N-(4-chlorophenyl)pyrimidin-2-a...)
Show SMILES Clc1ccc(Nc2nccc(n2)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C16H11Cl2N3/c17-12-4-6-14(7-5-12)20-16-19-9-8-15(21-16)11-2-1-3-13(18)10-11/h1-10H,(H,19,20,21)
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n/an/a 8.70E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM16919
PNG
(3-[(2S)-2-amino-3-[(5-{thieno[2,3-c]pyridin-2-yl}p...)
Show SMILES N[C@H](COc1cncc(c1)-c1cc2ccncc2s1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C23H20N4OS/c24-18(7-16-11-27-21-4-2-1-3-20(16)21)14-28-19-8-17(10-26-12-19)22-9-15-5-6-25-13-23(15)29-22/h1-6,8-13,18,27H,7,14,24H2/t18-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM8054
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 25 | 4...)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C15H15N5OS/c1-9-13(22-15(16-2)18-9)12-7-8-17-14(20-12)19-10-3-5-11(21)6-4-10/h3-8,21H,1-2H3,(H,16,18)(H,17,19,20)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263741
PNG
(5-Cyano-7-nitro-3-oxy-benzothiazole-2-carboxylic a...)
Show SMILES NC(=O)c1sc2c(cc(cc2[n+]1[O-])C#N)[N+]([O-])=O
Show InChI InChI=1S/C9H4N4O4S/c10-3-4-1-5-7(6(2-4)13(16)17)18-9(8(11)14)12(5)15/h1-2H,(H2,11,14)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM26658
PNG
(2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopy...)
Show SMILES Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
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n/an/a 1.26E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263742
PNG
(4-(4-(3-(methylamino)phenyl)pyrimidin-2-ylamino)ph...)
Show SMILES CNc1cccc(c1)-c1ccnc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C17H16N4O/c1-18-14-4-2-3-12(11-14)16-9-10-19-17(21-16)20-13-5-7-15(22)8-6-13/h2-11,18,22H,1H3,(H,19,20,21)
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n/an/a 1.37E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263743
PNG
(7-Nitro-3-oxy-5-trifluoromethyl-benzothiazole-2-ca...)
Show SMILES [O-][N+](=O)c1cc(cc2[n+]([O-])c(sc12)C#N)C(F)(F)F
Show InChI InChI=1S/C9H2F3N3O3S/c10-9(11,12)4-1-5-8(6(2-4)15(17)18)19-7(3-13)14(5)16/h1-2H
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n/an/a 2.10E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263744
PNG
(7-Nitro-3-oxy-5-trifluoromethyl-benzothiazol-2-ol ...)
Show SMILES [O-]n1c2cc(cc([N+]([O-])=O)c2sc1=[OH+])C(F)(F)F
Show InChI InChI=1S/C8H2F3N2O4S/c9-8(10,11)3-1-4-6(5(2-3)13(16)17)18-7(14)12(4)15/h1-2H/q-1/p+1
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n/an/a 3.90E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50263745
PNG
((7-Nitro-3-oxy-5-trifluoromethyl-benzothiazol-2-yl...)
Show SMILES [O-][N+](=O)c1cc(cc2[n+]([O-])c(sc12)C(=O)N1CCCC1)C(F)(F)F
Show InChI InChI=1S/C13H10F3N3O4S/c14-13(15,16)7-5-8-10(9(6-7)19(22)23)24-12(18(8)21)11(20)17-3-1-2-4-17/h5-6H,1-4H2
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n/an/a 5.60E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 6.40E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair