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PubChem AID 877

Compile data set for download or QSAR
Found 117 hits of Enzyme Inhibition Constant Data   
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))
BDBM32006
PNG
(1-(2-Hydroxy-ethylamino)-3-methyl-3H-naphtho[1,2,3...)
Show SMILES Cn1c2cccc3C(=O)c4ccccc4-c(c(NCCO)c1=O)c23
Show InChI InChI=1S/C19H16N2O3/c1-21-14-8-4-7-13-15(14)16(17(19(21)24)20-9-10-22)11-5-2-3-6-12(11)18(13)23/h2-8,20,22H,9-10H2,1H3
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n/an/a 1.81E+3n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41765
PNG
(4-[(6-hydroxy-2,4-diketo-1H-pyrimidine-5-carbonyl)...)
Show SMILES CCOC(=O)c1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C14H13N3O6/c1-2-23-13(21)7-3-5-8(6-4-7)15-10(18)9-11(19)16-14(22)17-12(9)20/h3-6H,2H2,1H3,(H,15,18)(H3,16,17,19,20,22)
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n/an/a 2.28E+3n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM40314
PNG
(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClN5O2/c1-18-12(20)9-11(16-13(18)21)19(2)17-10(15-9)7-3-5-8(14)6-4-7/h3-6H,1-2H3
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n/an/a 2.46E+3n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50099737
PNG
(2-Amino-phenanthrene-9,10-dione | CHEMBL417727 | U...)
Show SMILES Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C14H9NO2/c15-8-5-6-10-9-3-1-2-4-11(9)13(16)14(17)12(10)7-8/h1-7H,15H2
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n/an/a 5.90E+3n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41817
PNG
(9-benzo[c]quinolizin-11-iumol;iodide | 9-hydroxypy...)
Show SMILES Oc1ccc2ccc3cccc[n+]3c2c1
Show InChI InChI=1S/C13H9NO/c15-12-7-5-10-4-6-11-3-1-2-8-14(11)13(10)9-12/h1-9H/p+1
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n/an/a 8.73E+3n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM22857
PNG
(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)
Show SMILES O=C1C(=O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H
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n/an/a 1.01E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM40316
PNG
(8-bromo-2,3-dimethyl-4,5-dioxo-1-benzo[e]indolecar...)
Show SMILES CCOC(=O)c1c(C)n(C)c2c1-c1cc(Br)ccc1C(=O)C2=O
Show InChI InChI=1S/C17H14BrNO4/c1-4-23-17(22)12-8(2)19(3)14-13(12)11-7-9(18)5-6-10(11)15(20)16(14)21/h5-7H,4H2,1-3H3
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n/an/a 1.04E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM34671
PNG
(1,3,6-Trimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-...)
Show SMILES Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3
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n/an/a 1.46E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41787
PNG
(1-amino-4-keto-pyrrol[1,2-a]indole-2-carboxylic ac...)
Show SMILES CCOC(=O)c1cc2C(=O)c3ccccc3-n2c1N
Show InChI InChI=1S/C14H12N2O3/c1-2-19-14(18)9-7-11-12(17)8-5-3-4-6-10(8)16(11)13(9)15/h3-7H,2,15H2,1H3
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n/an/a 1.99E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM34608
PNG
(7,8-dihydro-9H-pyrido[1,2,3-cd]perimidin-9-one | M...)
Show SMILES O=C1CCn2cnc3cccc4ccc1c2c34
Show InChI InChI=1S/C14H10N2O/c17-12-6-7-16-8-15-11-3-1-2-9-4-5-10(12)14(16)13(9)11/h1-5,8H,6-7H2
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n/an/a 2.51E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41831
PNG
(Acetic acid N'-[3-oxo-3H-benzo[b]thiophen-(2Z)...)
Show SMILES CC(=O)N(N=C1Sc2ccccc2C1=O)c1cccc(C)c1
Show InChI InChI=1S/C17H14N2O2S/c1-11-6-5-7-13(10-11)19(12(2)20)18-17-16(21)14-8-3-4-9-15(14)22-17/h3-10H,1-2H3
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n/an/a 3.29E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41839
PNG
(1-(3-chloro-1,4-diketo-2-naphthyl)isonipecotamide ...)
Show SMILES NC(=O)C1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H15ClN2O3/c17-12-13(19-7-5-9(6-8-19)16(18)22)15(21)11-4-2-1-3-10(11)14(12)20/h1-4,9H,5-8H2,(H2,18,22)
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n/an/a 3.33E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41832
PNG
(Acetic acid N'-[3-oxo-3H-benzo[b]thiophen-(2Z)...)
Show SMILES CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1C
Show InChI InChI=1S/C17H14N2O2S/c1-11-7-3-5-9-14(11)19(12(2)20)18-17-16(21)13-8-4-6-10-15(13)22-17/h3-10H,1-2H3
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n/an/a 3.73E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM40726
PNG
((6-bromopiazthiol-5-yl)amine | 5-bromanyl-2,1,3-be...)
Show SMILES Nc1cc2nsnc2cc1Br
Show InChI InChI=1S/C6H4BrN3S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,8H2
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n/an/a 4.08E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM34691
PNG
(2-methyl-3-(phenylcarbonyl)benzo[g][1]benzofuran-4...)
Show SMILES Cc1oc-2c(c1C(=O)c1ccccc1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C20H12O4/c1-11-15(17(21)12-7-3-2-4-8-12)16-19(23)18(22)13-9-5-6-10-14(13)20(16)24-11/h2-10H,1H3
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n/an/a 4.36E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41753
PNG
(6-(Piperidine-1-carbonyl)-cyclohex-3-enecarboxylic...)
Show SMILES Cc1ccc(NC(=O)C2CC=CCC2C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C20H26N2O2/c1-15-9-11-16(12-10-15)21-19(23)17-7-3-4-8-18(17)20(24)22-13-5-2-6-14-22/h3-4,9-12,17-18H,2,5-8,13-14H2,1H3,(H,21,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM32004
PNG
(2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-di...)
Show SMILES O=C1C(Nc2ccccc12)=C1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H9NO3/c19-15-9-5-1-2-6-10(9)16(20)13(15)14-17(21)11-7-3-4-8-12(11)18-14/h1-8,18H
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41754
PNG
(3-(4-Methoxy-benzyl)-3H-benzothiazol-2-one | 3-[(4...)
Show SMILES COc1ccc(Cn2c3ccccc3sc2=O)cc1
Show InChI InChI=1S/C15H13NO2S/c1-18-12-8-6-11(7-9-12)10-16-13-4-2-3-5-14(13)19-15(16)17/h2-9H,10H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41758
PNG
((2-{2-[5-(4-Fluoro-phenyl)-[1,3,4]oxadiazol-2-ylsu...)
Show SMILES CCOC(=O)Cc1csc(NC(=O)CSc2nnc(o2)-c2ccc(F)cc2)n1
Show InChI InChI=1S/C17H15FN4O4S2/c1-2-25-14(24)7-12-8-27-16(19-12)20-13(23)9-28-17-22-21-15(26-17)10-3-5-11(18)6-4-10/h3-6,8H,2,7,9H2,1H3,(H,19,20,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41767
PNG
(2-[2-keto-2-[4-(4-phenylphthalazin-1-yl)piperazino...)
Show SMILES O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(CC1)c1nnc(-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C28H23N5O3/c34-24(18-33-27(35)22-12-6-7-13-23(22)28(33)36)31-14-16-32(17-15-31)26-21-11-5-4-10-20(21)25(29-30-26)19-8-2-1-3-9-19/h1-13H,14-18H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41779
PNG
(1-acetyl-5-bromo-N-(2-pyridinylmethyl)-2,3-dihydro...)
Show SMILES CC(=O)N1CCc2cc(Br)cc(c12)S(=O)(=O)NCc1ccccn1
Show InChI InChI=1S/C16H16BrN3O3S/c1-11(21)20-7-5-12-8-13(17)9-15(16(12)20)24(22,23)19-10-14-4-2-3-6-18-14/h2-4,6,8-9,19H,5,7,10H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41788
PNG
((E)-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-but-2-en...)
Show SMILES C\C(=C/C(=O)Nc1cc(C)on1)c1ccccc1
Show InChI InChI=1S/C14H14N2O2/c1-10(12-6-4-3-5-7-12)8-14(17)15-13-9-11(2)18-16-13/h3-9H,1-2H3,(H,15,16,17)/b10-8+
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PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41796
PNG
(MLS000088375 | N-(3-ethoxypropyl)-4-phenoxy-butana...)
Show SMILES CCOCCCNC(=O)CCCOc1ccccc1
Show InChI InChI=1S/C15H23NO3/c1-2-18-12-7-11-16-15(17)10-6-13-19-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3,(H,16,17)
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PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41798
PNG
(3-(3,5-dimethyl-1-pyrazolyl)-6-phenyl-7H-[1,2,4]tr...)
Show SMILES Cc1cc(C)n(n1)-c1nnc2SCC(=Nn12)c1ccccc1
Show InChI InChI=1S/C15H14N6S/c1-10-8-11(2)20(18-10)14-16-17-15-21(14)19-13(9-22-15)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
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PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41799
PNG
(2-[[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piper...)
Show SMILES CCn1ncc(CN2CCN(CC2)C(=O)Nc2ccccc2C(=O)OC)c1C
Show InChI InChI=1S/C20H27N5O3/c1-4-25-15(2)16(13-21-25)14-23-9-11-24(12-10-23)20(27)22-18-8-6-5-7-17(18)19(26)28-3/h5-8,13H,4,9-12,14H2,1-3H3,(H,22,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41826
PNG
(2-[[(4E)-1-keto-4-(2-thienylsulfonylimino)-2-napht...)
Show SMILES COC(=O)c1ccccc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O
Show InChI InChI=1S/C22H16N2O5S2/c1-29-22(26)16-9-4-5-10-17(16)23-19-13-18(14-7-2-3-8-15(14)21(19)25)24-31(27,28)20-11-6-12-30-20/h2-13,23H,1H3
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PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41828
PNG
(MLS000529783 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Show SMILES Cn1cc(SCC(=O)Nc2ccc3OCCOc3c2)c2ccccc12
Show InChI InChI=1S/C19H18N2O3S/c1-21-11-18(14-4-2-3-5-15(14)21)25-12-19(22)20-13-6-7-16-17(10-13)24-9-8-23-16/h2-7,10-11H,8-9,12H2,1H3,(H,20,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41836
PNG
(3-(2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}ethyl)-...)
Show SMILES Cc1nn(CCc2n[nH]c(=S)n2-c2cccc(C)c2)c(C)c1[N+]([O-])=O
Show InChI InChI=1S/C16H18N6O2S/c1-10-5-4-6-13(9-10)21-14(17-18-16(21)25)7-8-20-12(3)15(22(23)24)11(2)19-20/h4-6,9H,7-8H2,1-3H3,(H,18,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41838
PNG
(2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-5-(4-bromop...)
Show SMILES Nc1cc(nn1S(=O)(=O)c1cccc2nsnc12)-c1ccc(Br)cc1
Show InChI InChI=1S/C15H10BrN5O2S2/c16-10-6-4-9(5-7-10)12-8-14(17)21(18-12)25(22,23)13-3-1-2-11-15(13)20-24-19-11/h1-8H,17H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41842
PNG
(4-(2-methylphenoxy)-6-phenyl-furo[2,3-d]pyrimidine...)
Show SMILES Cc1ccccc1Oc1ncnc2oc(cc12)-c1ccccc1
Show InChI InChI=1S/C19H14N2O2/c1-13-7-5-6-10-16(13)22-18-15-11-17(14-8-3-2-4-9-14)23-19(15)21-12-20-18/h2-12H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41749
PNG
(2-(2-Methoxy-phenyl)-3-(3-trifluoromethyl-benzenes...)
Show SMILES COc1ccccc1C1SCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H16F3NO3S2/c1-24-15-8-3-2-7-14(15)16-21(9-10-25-16)26(22,23)13-6-4-5-12(11-13)17(18,19)20/h2-8,11,16H,9-10H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41752
PNG
(MLS000071127 | N-(5-Chloro-pyridin-2-yl)-5-isoprop...)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cn1)C(C)C
Show InChI InChI=1S/C15H17ClN2O3S/c1-10(2)11-4-6-13(21-3)14(8-11)22(19,20)18-15-7-5-12(16)9-17-15/h4-10H,1-3H3,(H,17,18)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM32085
PNG
(MLS000085603 | N-(2-hydroxy-1,3-diketo-indan-2-yl)...)
Show SMILES OC1(NC(=O)c2ccccc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H11NO4/c18-13-11-8-4-5-9-12(11)14(19)16(13,21)17-15(20)10-6-2-1-3-7-10/h1-9,21H,(H,17,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41784
PNG
(4-methyl-N-(2-methyl-5-oxidanylidene-[1,3,4]thiadi...)
Show SMILES Cc1nn2c(ncc(NC(=O)c3ccc(C)cc3)c2=O)s1
Show InChI InChI=1S/C14H12N4O2S/c1-8-3-5-10(6-4-8)12(19)16-11-7-15-14-18(13(11)20)17-9(2)21-14/h3-7H,1-2H3,(H,16,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41785
PNG
(3-methyl-N-(2-phenylethyl)-2-butenamide | 3-methyl...)
Show SMILES CC(C)=CC(=O)NCCc1ccccc1
Show InChI InChI=1S/C13H17NO/c1-11(2)10-13(15)14-9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,15)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41800
PNG
((1-methyl-5-benzotriazolyl)-(2-methyl-2,3-dihydroi...)
Show SMILES CC1Cc2ccccc2N1C(=O)c1ccc2n(C)nnc2c1
Show InChI InChI=1S/C17H16N4O/c1-11-9-12-5-3-4-6-15(12)21(11)17(22)13-7-8-16-14(10-13)18-19-20(16)2/h3-8,10-11H,9H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41807
PNG
(3-[(3-methylcyclohexyl)amino]-2-azepanone | 3-[(3-...)
Show SMILES CC1CCCC(C1)NC1CCCCNC1=O
Show InChI InChI=1S/C13H24N2O/c1-10-5-4-6-11(9-10)15-12-7-2-3-8-14-13(12)16/h10-12,15H,2-9H2,1H3,(H,14,16)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41808
PNG
(3-methyl-1-(2,2,6,6-tetramethyl-4-piperidinyl)-4-p...)
Show SMILES CC1CN(CCC1=O)C1CC(C)(C)NC(C)(C)C1
Show InChI InChI=1S/C15H28N2O/c1-11-10-17(7-6-13(11)18)12-8-14(2,3)16-15(4,5)9-12/h11-12,16H,6-10H2,1-5H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41810
PNG
(2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)cyclo...)
Show SMILES OC(=O)C1CCCCC1C(=O)Nc1ccc2OCCOc2c1
Show InChI InChI=1S/C16H19NO5/c18-15(11-3-1-2-4-12(11)16(19)20)17-10-5-6-13-14(9-10)22-8-7-21-13/h5-6,9,11-12H,1-4,7-8H2,(H,17,18)(H,19,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41811
PNG
(MLS000110184 | N-(4-butan-2-ylphenyl)cyclopropanec...)
Show SMILES CCC(C)c1ccc(NC(=O)C2CC2)cc1
Show InChI InChI=1S/C14H19NO/c1-3-10(2)11-6-8-13(9-7-11)15-14(16)12-4-5-12/h6-10,12H,3-5H2,1-2H3,(H,15,16)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41813
PNG
(1-piperidinyl-[4-(1-tetrazolyl)phenyl]methanone | ...)
Show SMILES O=C(N1CCCCC1)c1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C13H15N5O/c19-13(17-8-2-1-3-9-17)11-4-6-12(7-5-11)18-10-14-15-16-18/h4-7,10H,1-3,8-9H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41819
PNG
(3-(isopropylthio)-6,6,7-trimethyl-1-morpholino-5,8...)
Show SMILES CC(C)Sc1nc(N2CCOCC2)c2CN(C)C(C)(C)Cc2c1C#N
Show InChI InChI=1S/C19H28N4OS/c1-13(2)25-18-15(11-20)14-10-19(3,4)22(5)12-16(14)17(21-18)23-6-8-24-9-7-23/h13H,6-10,12H2,1-5H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41821
PNG
(2-[1-(anilinocarbonothioyl)-3-oxo-2-piperazinyl]-N...)
Show SMILES O=C(CC1N(CCNC1=O)C(=S)Nc1ccccc1)Nc1ccc2OCCOc2c1
Show InChI InChI=1S/C21H22N4O4S/c26-19(23-15-6-7-17-18(12-15)29-11-10-28-17)13-16-20(27)22-8-9-25(16)21(30)24-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,22,27)(H,23,26)(H,24,30)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41827
PNG
(3-chloranyl-2,6-dimethyl-pyrido[1,2-a]pyrimidin-4-...)
Show SMILES Cc1nc2cccc(C)n2c(=O)c1Cl
Show InChI InChI=1S/C10H9ClN2O/c1-6-4-3-5-8-12-7(2)9(11)10(14)13(6)8/h3-5H,1-2H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41751
PNG
(2-(4-Isobutoxy-phenyl)-N-methyl-succinamic acid | ...)
Show SMILES CNC(=O)CC(C(O)=O)c1ccc(OCC(C)C)cc1
Show InChI InChI=1S/C15H21NO4/c1-10(2)9-20-12-6-4-11(5-7-12)13(15(18)19)8-14(17)16-3/h4-7,10,13H,8-9H2,1-3H3,(H,16,17)(H,18,19)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41756
PNG
(2-[[4-ethyl-5-[4-(4-methylpiperazin-1-yl)sulfonylp...)
Show SMILES CCn1c(SCC(N)=O)nnc1-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C17H24N6O3S2/c1-3-23-16(19-20-17(23)27-12-15(18)24)13-4-6-14(7-5-13)28(25,26)22-10-8-21(2)9-11-22/h4-7H,3,8-12H2,1-2H3,(H2,18,24)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41766
PNG
(MLS000040678 | N-[1-(cyclohexylmethyl)-2,5-bis(oxi...)
Show SMILES FC(F)(F)C1(NC(=O)c2ccco2)NC(=O)N(CC2CCCCC2)C1=O
Show InChI InChI=1S/C16H18F3N3O4/c17-16(18,19)15(20-12(23)11-7-4-8-26-11)13(24)22(14(25)21-15)9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,20,23)(H,21,25)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41769
PNG
(1',6'-dimethyl-1-(2-methylphenyl)spiro[1,3-diazina...)
Show SMILES CN1CC2(Cc3cc(C)ccc13)C(=O)NC(=O)N(C2=O)c1ccccc1C
Show InChI InChI=1S/C21H21N3O3/c1-13-8-9-17-15(10-13)11-21(12-23(17)3)18(25)22-20(27)24(19(21)26)16-7-5-4-6-14(16)2/h4-10H,11-12H2,1-3H3,(H,22,25,27)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41772
PNG
(2-(methylthio)-3-pyridinecarboxylic acid [1-(ethyl...)
Show SMILES CCNC(=O)NC(=O)C(C)OC(=O)c1cccnc1SC
Show InChI InChI=1S/C13H17N3O4S/c1-4-14-13(19)16-10(17)8(2)20-12(18)9-6-5-7-15-11(9)21-3/h5-8H,4H2,1-3H3,(H2,14,16,17,19)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41778
PNG
(1-N-cyclohexyl-4-piperidin-1-ylpiperidine-1,4-dica...)
Show SMILES NC(=O)C1(CCN(CC1)C(=O)NC1CCCCC1)N1CCCCC1
Show InChI InChI=1S/C18H32N4O2/c19-16(23)18(22-11-5-2-6-12-22)9-13-21(14-10-18)17(24)20-15-7-3-1-4-8-15/h15H,1-14H2,(H2,19,23)(H,20,24)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41780
PNG
(MLS000086701 | N-(4-{[(3-isopropoxypropyl)amino]ca...)
Show SMILES CC(C)OCCCNC(=O)c1ccc(NC(=O)C2CCCO2)cc1
Show InChI InChI=1S/C18H26N2O4/c1-13(2)23-12-4-10-19-17(21)14-6-8-15(9-7-14)20-18(22)16-5-3-11-24-16/h6-9,13,16H,3-5,10-12H2,1-2H3,(H,19,21)(H,20,22)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41781
PNG
(6-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]s...)
Show SMILES Cc1ccc(Cl)cc1N1CCN(CC1)S(=O)(=O)c1ccc2n(C)c(=O)oc2c1
Show InChI InChI=1S/C19H20ClN3O4S/c1-13-3-4-14(20)11-17(13)22-7-9-23(10-8-22)28(25,26)15-5-6-16-18(12-15)27-19(24)21(16)2/h3-6,11-12H,7-10H2,1-2H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41783
PNG
((3E)-3-(6-methyl-5,6-dihydro-2H-[1,3]thiazolo[2,3-...)
Show SMILES CC1Cn2c(S1)nnc2-c1cc2ccccc2cc1O
Show InChI InChI=1S/C15H13N3OS/c1-9-8-18-14(16-17-15(18)20-9)12-6-10-4-2-3-5-11(10)7-13(12)19/h2-7,9,19H,8H2,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41786
PNG
(MLS000052108 | N-(2-furanylmethyl)-4-methyl-3-[(2-...)
Show SMILES Cc1ccccc1NS(=O)(=O)c1cc(ccc1C)C(=O)NCc1ccco1
Show InChI InChI=1S/C20H20N2O4S/c1-14-6-3-4-8-18(14)22-27(24,25)19-12-16(10-9-15(19)2)20(23)21-13-17-7-5-11-26-17/h3-12,22H,13H2,1-2H3,(H,21,23)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41792
PNG
(5-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl...)
Show SMILES C=CCn1c2ccccc2c2nnc(SCc3ccc4nonc4c3)nc12
Show InChI InChI=1S/C19H14N6OS/c1-2-9-25-16-6-4-3-5-13(16)17-18(25)20-19(22-21-17)27-11-12-7-8-14-15(10-12)24-26-23-14/h2-8,10H,1,9,11H2
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41803
PNG
(5-(tert-butylamino)-5-keto-3-phenyl-valeric acid |...)
Show SMILES CC(C)(C)NC(=O)CC(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C15H21NO3/c1-15(2,3)16-13(17)9-12(10-14(18)19)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,17)(H,18,19)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41804
PNG
((6E)-4-bromanyl-6-[[[2-(hydroxymethyl)-1,3-bis(oxi...)
Show SMILES OCC(CO)(CO)N=Cc1cc(Br)ccc1O
Show InChI InChI=1S/C11H14BrNO4/c12-9-1-2-10(17)8(3-9)4-13-11(5-14,6-15)7-16/h1-4,14-17H,5-7H2
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41806
PNG
(MLS000108227 | N-(4-morpholin-4-ylsulfonylphenyl)-...)
Show SMILES O=C(COc1ccccc1)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H20N2O5S/c21-18(14-25-16-4-2-1-3-5-16)19-15-6-8-17(9-7-15)26(22,23)20-10-12-24-13-11-20/h1-9H,10-14H2,(H,19,21)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41815
PNG
(1-(3-Methoxy-4-tetrazol-1-yl-benzenesulfonyl)-azep...)
Show SMILES COc1cc(ccc1-n1cnnn1)S(=O)(=O)N1CCCCCC1
Show InChI InChI=1S/C14H19N5O3S/c1-22-14-10-12(6-7-13(14)19-11-15-16-17-19)23(20,21)18-8-4-2-3-5-9-18/h6-7,10-11H,2-5,8-9H2,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41820
PNG
(4-(2,6-dimethylanilino)-7,7-dimethyl-1-phenyl-8-ox...)
Show SMILES Cc1cccc(C)c1NC1=NC(=S)N(c2ccccc2)C11CCOC(C)(C)C1
Show InChI InChI=1S/C23H27N3OS/c1-16-9-8-10-17(2)19(16)24-20-23(13-14-27-22(3,4)15-23)26(21(28)25-20)18-11-6-5-7-12-18/h5-12H,13-15H2,1-4H3,(H,24,25,28)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41822
PNG
(1-(methylsulfonyl)-4-(3-phenyl-2-propen-1-yl)piper...)
Show SMILES CS(=O)(=O)N1CCN(C\C=C\c2ccccc2)CC1
Show InChI InChI=1S/C14H20N2O2S/c1-19(17,18)16-12-10-15(11-13-16)9-5-8-14-6-3-2-4-7-14/h2-8H,9-13H2,1H3/b8-5+
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41834
PNG
(MLS000551587 | N-[1,4-diketo-3-(4-o-phenetylpipera...)
Show SMILES CCOc1ccccc1N1CCN(CC1)C1=C(NS(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C26H25N3O5S2/c1-2-34-21-11-6-5-10-20(21)28-13-15-29(16-14-28)24-23(27-36(32,33)22-12-7-17-35-22)25(30)18-8-3-4-9-19(18)26(24)31/h3-12,17,27H,2,13-16H2,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41747
PNG
(1-Cyclopentyl-4-[1-(4-fluoro-benzyl)-1H-tetrazol-5...)
Show SMILES Fc1ccc(Cn2nnnc2CN2CCN(CC2)C2CCCC2)cc1
Show InChI InChI=1S/C18H25FN6/c19-16-7-5-15(6-8-16)13-25-18(20-21-22-25)14-23-9-11-24(12-10-23)17-3-1-2-4-17/h5-8,17H,1-4,9-14H2
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41760
PNG
(3-Oxo-1-phenyl-cyclopentanecarboxylic acid | 3-ket...)
Show SMILES OC(=O)C1(CCC(=O)C1)c1ccccc1
Show InChI InChI=1S/C12H12O3/c13-10-6-7-12(8-10,11(14)15)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,15)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41762
PNG
(5,5-dimethyl-3-(4-pyridylmethylamino)cyclohex-2-en...)
Show SMILES CC1(C)CC(=O)C=C(C1)NCc1ccncc1
Show InChI InChI=1S/C14H18N2O/c1-14(2)8-12(7-13(17)9-14)16-10-11-3-5-15-6-4-11/h3-7,16H,8-10H2,1-2H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41763
PNG
((5E)-1-(4-methylphenyl)-5-[(2-morpholin-4-ylethyla...)
Show SMILES Cc1ccc(cc1)-n1c(O)c(C=NCCN2CCOCC2)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H22N4O4/c1-13-2-4-14(5-3-13)22-17(24)15(16(23)20-18(22)25)12-19-6-7-21-8-10-26-11-9-21/h2-5,12,24H,6-11H2,1H3,(H,20,23,25)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41764
PNG
(3-(4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl)prop...)
Show SMILES COC(=O)CCc1c(C)[nH]c(=S)[nH]c1=O
Show InChI InChI=1S/C9H12N2O3S/c1-5-6(3-4-7(12)14-2)8(13)11-9(15)10-5/h3-4H2,1-2H3,(H2,10,11,13,15)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41770
PNG
(1',3'-dimethylspiro[benzothiophene-2,5'-hexahydrop...)
Show SMILES CN1C(=O)N(C)C(=O)C2(Sc3ccccc3C2=O)C1=O
Show InChI InChI=1S/C13H10N2O4S/c1-14-10(17)13(11(18)15(2)12(14)19)9(16)7-5-3-4-6-8(7)20-13/h3-6H,1-2H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41773
PNG
(4-[[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoy...)
Show SMILES OC(=O)c1ccc(CNC(=O)CN2C(=O)COc3ccccc23)cc1
Show InChI InChI=1S/C18H16N2O5/c21-16(19-9-12-5-7-13(8-6-12)18(23)24)10-20-14-3-1-2-4-15(14)25-11-17(20)22/h1-8H,9-11H2,(H,19,21)(H,23,24)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41774
PNG
(5-bromanyl-N-(2-oxidanylidene-2-pyrrolidin-1-yl-et...)
Show SMILES Brc1ccc(s1)S(=O)(=O)NCC(=O)N1CCCC1
Show InChI InChI=1S/C10H13BrN2O3S2/c11-8-3-4-10(17-8)18(15,16)12-7-9(14)13-5-1-2-6-13/h3-4,12H,1-2,5-7H2
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41775
PNG
(MLS000043435 | N-[4-[acetyl(methyl)amino]phenyl]-1...)
Show SMILES CCn1ccc(n1)C(=O)Nc1ccc(cc1)N(C)C(C)=O
Show InChI InChI=1S/C15H18N4O2/c1-4-19-10-9-14(17-19)15(21)16-12-5-7-13(8-6-12)18(3)11(2)20/h5-10H,4H2,1-3H3,(H,16,21)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41802
PNG
(2-(2-benzylsulfonylbenzimidazol-1-yl)acetamide | 2...)
Show SMILES NC(=O)Cn1c(nc2ccccc12)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C16H15N3O3S/c17-15(20)10-19-14-9-5-4-8-13(14)18-16(19)23(21,22)11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,17,20)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM39564
PNG
(2-(2-chlorophenyl)-5-(4-methoxyanilino)-1,3-oxazol...)
Show SMILES COc1ccc(Nc2oc(nc2C#N)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C17H12ClN3O2/c1-22-12-8-6-11(7-9-12)20-17-15(10-19)21-16(23-17)13-4-2-3-5-14(13)18/h2-9,20H,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41805
PNG
(2-[4-bromanyl-2-(hydroxyiminomethyl)phenoxy]ethano...)
Show SMILES OC(=O)COc1ccc(Br)cc1CN=O
Show InChI InChI=1S/C9H8BrNO4/c10-7-1-2-8(15-5-9(12)13)6(3-7)4-11-14/h1-3H,4-5H2,(H,12,13)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41816
PNG
((NE)-N-[3-(2,4-dimethylanilino)-4-keto-1-naphthyli...)
Show SMILES Cc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)c(C)c1
Show InChI InChI=1S/C22H18N2O3S2/c1-14-9-10-18(15(2)12-14)23-20-13-19(16-6-3-4-7-17(16)22(20)25)24-29(26,27)21-8-5-11-28-21/h3-13,23H,1-2H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41824
PNG
(1,5-dimethyl-N-[(4-methylphenyl)methyl]-4-oxidanyl...)
Show SMILES Cc1ccc(CNC(=O)c2cc3c(n2C)c2ccccc2n(C)c3=O)cc1
Show InChI InChI=1S/C22H21N3O2/c1-14-8-10-15(11-9-14)13-23-21(26)19-12-17-20(24(19)2)16-6-4-5-7-18(16)25(3)22(17)27/h4-12H,13H2,1-3H3,(H,23,26)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41829
PNG
(2,2-Dimethyl-propionic acid 3-(1-methyl-1H-benzoim...)
Show SMILES Cn1c(nc2ccccc12)-c1cc2ccc(OC(=O)C(C)(C)C)cc2oc1=O
Show InChI InChI=1S/C22H20N2O4/c1-22(2,3)21(26)27-14-10-9-13-11-15(20(25)28-18(13)12-14)19-23-16-7-5-6-8-17(16)24(19)4/h5-12H,1-4H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41835
PNG
(6-amino-1-benzyl-3-methyl-5-[2-[[5-(propan-2-ylami...)
Show SMILES CC(C)Nc1nnc(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)s1
Show InChI InChI=1S/C19H22N6O3S2/c1-11(2)21-17-22-23-18(30-17)29-10-13(26)14-15(20)25(19(28)24(3)16(14)27)9-12-7-5-4-6-8-12/h4-8,11H,9-10,20H2,1-3H3,(H,21,22)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41837
PNG
(2-furanyl-[4-(9-methyl-5H-pyrimido[5,4-b]indol-4-y...)
Show SMILES Cc1cccc2[nH]c3c(ncnc3c12)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C20H19N5O2/c1-13-4-2-5-14-16(13)17-18(23-14)19(22-12-21-17)24-7-9-25(10-8-24)20(26)15-6-3-11-27-15/h2-6,11-12,23H,7-10H2,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41768
PNG
(MLS000040805 | N-[(2-oxidanylidene-1H-quinolin-3-y...)
Show SMILES CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccnc1
Show InChI InChI=1S/C19H19N3O2/c1-13(2)22(19(24)15-7-5-9-20-11-15)12-16-10-14-6-3-4-8-17(14)21-18(16)23/h3-11,13H,12H2,1-2H3,(H,21,23)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41789
PNG
(5,6-bis(chloranyl)-2-ethyl-1H-benzimidazole | 5,6-...)
Show SMILES CCc1nc2cc(Cl)c(Cl)cc2[nH]1
Show InChI InChI=1S/C9H8Cl2N2/c1-2-9-12-7-3-5(10)6(11)4-8(7)13-9/h3-4H,2H2,1H3,(H,12,13)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41793
PNG
((2,6-dimethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-y...)
Show SMILES COc1cccc(OC)c1C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C18H21N3O3/c1-23-14-6-5-7-15(24-2)17(14)18(22)21-12-10-20(11-13-21)16-8-3-4-9-19-16/h3-9H,10-13H2,1-2H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM37501
PNG
(4-(dimethylamino)-N-(4,5,6,7-tetrahydro-1,3-benzot...)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1nc2CCCCc2s1
Show InChI InChI=1S/C16H19N3OS/c1-19(2)12-9-7-11(8-10-12)15(20)18-16-17-13-5-3-4-6-14(13)21-16/h7-10H,3-6H2,1-2H3,(H,17,18,20)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41812
PNG
((1,1-Dioxo-1H-1lambda*6*-benzo[d]isothiazol-3-yl)-...)
Show SMILES COc1ccc(cc1)N(C)C1=NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C15H14N2O3S/c1-17(11-7-9-12(20-2)10-8-11)15-13-5-3-4-6-14(13)21(18,19)16-15/h3-10H,1-2H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41818
PNG
(2-(allylsulfanyl)-4-(2,5-dichloro-3-thienyl)pyrimi...)
Show SMILES Clc1cc(c(Cl)s1)-c1ccnc(SCC=C)n1
Show InChI InChI=1S/C11H8Cl2N2S2/c1-2-5-16-11-14-4-3-8(15-11)7-6-9(12)17-10(7)13/h2-4,6H,1,5H2
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41830
PNG
(4-keto-4-[(4-keto-2-propyl-5,6,7,8-tetrahydrobenzo...)
Show SMILES CCCc1nc2sc3CCCCc3c2c(=O)n1NC(=O)CCC(O)=O
Show InChI InChI=1S/C17H21N3O4S/c1-2-5-12-18-16-15(10-6-3-4-7-11(10)25-16)17(24)20(12)19-13(21)8-9-14(22)23/h2-9H2,1H3,(H,19,21)(H,22,23)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41844
PNG
(2-[(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)m...)
Show SMILES CCN1C(=O)\C(=C\c2nc3ccccc3c(=O)n2-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H19N3O2/c1-2-27-22-15-9-7-12-18(22)20(24(27)29)16-23-26-21-14-8-6-13-19(21)25(30)28(23)17-10-4-3-5-11-17/h3-16H,2H2,1H3/b20-16+
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41847
PNG
(MLS000575866 | N-(2-(4-nitrophenyl)-1-{[(2-phenyle...)
Show SMILES [O-][N+](=O)c1ccc(\C=C(\NC(=O)c2ccccc2)C(=O)NCCc2ccccc2)cc1
Show InChI InChI=1S/C24H21N3O4/c28-23(20-9-5-2-6-10-20)26-22(17-19-11-13-21(14-12-19)27(30)31)24(29)25-16-15-18-7-3-1-4-8-18/h1-14,17H,15-16H2,(H,25,29)(H,26,28)/b22-17+
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41750
PNG
(2-(4-Chloro-phenyl)-N-(2-pyrrolidin-1-yl-ethyl)-ac...)
Show SMILES Clc1ccc(CC(=O)NCCN2CCCC2)cc1
Show InChI InChI=1S/C14H19ClN2O/c15-13-5-3-12(4-6-13)11-14(18)16-7-10-17-8-1-2-9-17/h3-6H,1-2,7-11H2,(H,16,18)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41782
PNG
(2-[4-amino-5-(3-chlorophenyl)-3-methylpyrazolo[3,4...)
Show SMILES CCC(Sc1nc2nnc(C)c2c(N)n1-c1cccc(Cl)c1)C(=O)NCCOC
Show InChI InChI=1S/C19H23ClN6O2S/c1-4-14(18(27)22-8-9-28-3)29-19-23-17-15(11(2)24-25-17)16(21)26(19)13-7-5-6-12(20)10-13/h5-7,10,14H,4,8-9,21H2,1-3H3,(H,22,27)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41790
PNG
(2-[(4-methoxyphenyl)sulfonyl-methyl-amino]-N-[2-(t...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F
Show InChI InChI=1S/C17H17F3N2O4S/c1-22(27(24,25)13-9-7-12(26-2)8-10-13)11-16(23)21-15-6-4-3-5-14(15)17(18,19)20/h3-10H,11H2,1-2H3,(H,21,23)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41795
PNG
(5-(tetrahydrofuran-2-carbonylamino)benzene-1,3-dic...)
Show SMILES COC(=O)c1cc(NC(=O)C2CCCO2)cc(c1)C(=O)OC
Show InChI InChI=1S/C15H17NO6/c1-20-14(18)9-6-10(15(19)21-2)8-11(7-9)16-13(17)12-4-3-5-22-12/h6-8,12H,3-5H2,1-2H3,(H,16,17)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM31997
PNG
(6-Methoxy-3-methyl-1H-benzo[de]cinnoline | MLS0000...)
Show SMILES COc1ccc2c(C)n[nH]c3cccc1c23
Show InChI InChI=1S/C13H12N2O/c1-8-9-6-7-12(16-2)10-4-3-5-11(13(9)10)15-14-8/h3-7,15H,1-2H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41757
PNG
(Benzo[1,3]dioxole-5-carboxylic acid [4-(4-propiony...)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C21H23N3O4/c1-2-20(25)24-11-9-23(10-12-24)17-6-4-16(5-7-17)22-21(26)15-3-8-18-19(13-15)28-14-27-18/h3-8,13H,2,9-12,14H2,1H3,(H,22,26)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41759
PNG
(1-(4-Methoxy-benzyl)-octahydro-isoquinolin-4a-ol |...)
Show SMILES COc1ccc(CC2NCCC3(O)CCCCC23)cc1
Show InChI InChI=1S/C17H25NO2/c1-20-14-7-5-13(6-8-14)12-16-15-4-2-3-9-17(15,19)10-11-18-16/h5-8,15-16,18-19H,2-4,9-12H2,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41794
PNG
(1-(4-bromophenyl)-3-[2-(3,4-dihydro-1(2H)-quinolin...)
Show SMILES Brc1ccc(cc1)N1CC(=O)N(CC(=O)N2CCCc3ccccc23)C1=O
Show InChI InChI=1S/C20H18BrN3O3/c21-15-7-9-16(10-8-15)23-12-19(26)24(20(23)27)13-18(25)22-11-3-5-14-4-1-2-6-17(14)22/h1-2,4,6-10H,3,5,11-13H2
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41801
PNG
((3-ethyl-5-methyl-1,2-oxazol-4-yl)-morpholin-4-yl-...)
Show SMILES CCc1noc(C)c1C(=O)N1CCOCC1
Show InChI InChI=1S/C11H16N2O3/c1-3-9-10(8(2)16-12-9)11(14)13-4-6-15-7-5-13/h3-7H2,1-2H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41809
PNG
(2-(4-methylphenoxy)-N-(4-morpholin-4-ylphenyl)acet...)
Show SMILES Cc1ccc(OCC(=O)Nc2ccc(cc2)N2CCOCC2)cc1
Show InChI InChI=1S/C19H22N2O3/c1-15-2-8-18(9-3-15)24-14-19(22)20-16-4-6-17(7-5-16)21-10-12-23-13-11-21/h2-9H,10-14H2,1H3,(H,20,22)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41814
PNG
(3,5-Dimethoxy-N-(3-morpholin-4-yl-propyl)-benzamid...)
Show SMILES COc1cc(OC)cc(c1)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C16H24N2O4/c1-20-14-10-13(11-15(12-14)21-2)16(19)17-4-3-5-18-6-8-22-9-7-18/h10-12H,3-9H2,1-2H3,(H,17,19)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41825
PNG
((4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl...)
Show SMILES COc1ccc2C(CC(O)=O)OC(=O)c2c1OC
Show InChI InChI=1S/C12H12O6/c1-16-7-4-3-6-8(5-9(13)14)18-12(15)10(6)11(7)17-2/h3-4,8H,5H2,1-2H3,(H,13,14)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41841
PNG
(4-(4-methylbenzoyl)-N-(3-morpholin-4-ylpropyl)-1H-...)
Show SMILES Cc1ccc(cc1)C(=O)c1c[nH]c(c1)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C20H25N3O3/c1-15-3-5-16(6-4-15)19(24)17-13-18(22-14-17)20(25)21-7-2-8-23-9-11-26-12-10-23/h3-6,13-14,22H,2,7-12H2,1H3,(H,21,25)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41846
PNG
((2-nitro-5-piperazino-phenyl)-(tetrahydrofurfuryl)...)
Show SMILES [O-][N+](=O)c1ccc(cc1NCC1CCCO1)N1CCNCC1
Show InChI InChI=1S/C15H22N4O3/c20-19(21)15-4-3-12(18-7-5-16-6-8-18)10-14(15)17-11-13-2-1-9-22-13/h3-4,10,13,16-17H,1-2,5-9,11H2
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41748
PNG
(MLS000076456 | N-[4-[4-methyl-5-[2-oxidanylidene-2...)
Show SMILES CCC(=O)Nc1ccc(cc1)-c1nnc(SCC(=O)Nc2nccs2)n1C
Show InChI InChI=1S/C17H18N6O2S2/c1-3-13(24)19-12-6-4-11(5-7-12)15-21-22-17(23(15)2)27-10-14(25)20-16-18-8-9-26-16/h4-9H,3,10H2,1-2H3,(H,19,24)(H,18,20,25)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41755
PNG
(3-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(4-phenyl-pipe...)
Show SMILES Cc1ccc2cc(C(N3CCN(CC3)c3ccccc3)c3nnnn3C3CCCC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C27H31N7O/c1-19-11-12-20-18-23(27(35)28-24(20)17-19)25(26-29-30-31-34(26)22-9-5-6-10-22)33-15-13-32(14-16-33)21-7-3-2-4-8-21/h2-4,7-8,11-12,17-18,22,25H,5-6,9-10,13-16H2,1H3,(H,28,35)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM37310
PNG
(1-(4-morpholinyl)-3-(propylthio)-5,6,7,8-tetrahydr...)
Show SMILES CCCSc1nc(N2CCOCC2)c2CCCCc2c1C#N
Show InChI InChI=1S/C17H23N3OS/c1-2-11-22-17-15(12-18)13-5-3-4-6-14(13)16(19-17)20-7-9-21-10-8-20/h2-11H2,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41771
PNG
(MLS000057041 | N-(6,7,8,9-tetrahydro-5H-[1,2,4]tri...)
Show SMILES C(Nc1ccccc1)c1nnc2CCCCCn12
Show InChI InChI=1S/C14H18N4/c1-3-7-12(8-4-1)15-11-14-17-16-13-9-5-2-6-10-18(13)14/h1,3-4,7-8,15H,2,5-6,9-11H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM35390
PNG
(2-(2-keto-1-methyl-2-piperidino-ethyl)-4-methyl-be...)
Show SMILES CC(C(=O)N1CCCCC1)n1nc(C)c2sc3ccccc3c2c1=O
Show InChI InChI=1S/C19H21N3O2S/c1-12-17-16(14-8-4-5-9-15(14)25-17)19(24)22(20-12)13(2)18(23)21-10-6-3-7-11-21/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41776
PNG
(3-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]carbo...)
Show SMILES CCn1cnc2sc(C(=O)N3CCN(CC3)c3ccc(OC)cc3)c(C)c2c1=O
Show InChI InChI=1S/C21H24N4O3S/c1-4-23-13-22-19-17(20(23)26)14(2)18(29-19)21(27)25-11-9-24(10-12-25)15-5-7-16(28-3)8-6-15/h5-8,13H,4,9-12H2,1-3H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41791
PNG
(2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]ace...)
Show SMILES COC(=O)CNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2
Show InChI InChI=1S/C17H27NO3/c1-14-6-15(2)8-16(3,7-14)11-17(9-14,10-15)13(20)18-5-12(19)21-4/h5-11H2,1-4H3,(H,18,20)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41797
PNG
(5-(benzoxymethyl)uracil | 5-(phenylmethoxymethyl)-...)
Show SMILES O=c1[nH]cc(COCc2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C12H12N2O3/c15-11-10(6-13-12(16)14-11)8-17-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H2,13,14,15,16)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM37827
PNG
(2-methyl-5-(4-nitrophenyl)-3-phenyl-1H-pyrazolo[1,...)
Show SMILES Cc1[nH]n2c(nc(cc2=O)-c2ccc(cc2)[N+]([O-])=O)c1-c1ccccc1
Show InChI InChI=1S/C19H14N4O3/c1-12-18(14-5-3-2-4-6-14)19-20-16(11-17(24)22(19)21-12)13-7-9-15(10-8-13)23(25)26/h2-11,21H,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41823
PNG
(MLS000538265 | N-cyclohexyl-2-(1-oxopropylamino)be...)
Show SMILES CCC(=O)Nc1ccccc1C(=O)NC1CCCCC1
Show InChI InChI=1S/C16H22N2O2/c1-2-15(19)18-14-11-7-6-10-13(14)16(20)17-12-8-4-3-5-9-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,17,20)(H,18,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM40208
PNG
(MLS000522634 | N-(1,3-benzothiazol-2-yl)-4H-thieno...)
Show SMILES O=C(Nc1nc2ccccc2s1)c1cc2COc3ccccc3-c2s1
Show InChI InChI=1S/C19H12N2O2S2/c22-18(21-19-20-13-6-2-4-8-15(13)25-19)16-9-11-10-23-14-7-3-1-5-12(14)17(11)24-16/h1-9H,10H2,(H,20,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41833
PNG
(Acetic acid N'-[3-oxo-3H-benzo[b]thiophen-(2Z)...)
Show SMILES CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C16H12N2O2S/c1-11(19)18(12-7-3-2-4-8-12)17-16-15(20)13-9-5-6-10-14(13)21-16/h2-10H,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41840
PNG
(2,6-dichloro-N-[1-(2,6-dichlorobenzyl)-2-keto-3-py...)
Show SMILES Clc1cccc(Cl)c1Cn1cccc(NC(=O)c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C19H12Cl4N2O2/c20-12-4-1-5-13(21)11(12)10-25-9-3-8-16(19(25)27)24-18(26)17-14(22)6-2-7-15(17)23/h1-9H,10H2,(H,24,26)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41843
PNG
(3-hydroxy-5-nitro-3-(1-piperidinyl)-1,3-dihydro-2H...)
Show SMILES OC1(N2CCCCC2)C(=O)Nc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C13H15N3O4/c17-12-13(18,15-6-2-1-3-7-15)10-8-9(16(19)20)4-5-11(10)14-12/h4-5,8,18H,1-3,6-7H2,(H,14,17)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM41845
PNG
(3-nitro-N-[2,2,2-trichloro-1-({[(2,4-dichloropheny...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)NC(NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl
Show InChI InChI=1S/C16H11Cl5N4O3S/c17-9-4-5-12(11(18)7-9)22-15(29)24-14(16(19,20)21)23-13(26)8-2-1-3-10(6-8)25(27)28/h1-7,14H,(H,23,26)(H2,22,24,29)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%