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Compile Data Set for Download or QSAR

Found 117 hits Enz. Inhib. hit(s) with all data for entry = 3983   
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 |w:4.3|
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 |c:10|
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 |w:4.3|
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))
BDBM41826
PNG
(2-[[(4E)-1-keto-4-(2-thienylsulfonylimino)-2-napht...)
Show SMILES COC(=O)c1ccccc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O |w:14.15,t:12|
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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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))
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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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))
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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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))
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))
BDBM41833
PNG
(Acetic acid N'-[3-oxo-3H-benzo[b]thiophen-(2Z)...)
Show SMILES CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1 |w:4.3|
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))
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 |c:17|
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))
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))
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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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))
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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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))
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))
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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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))
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))
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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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))
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))
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))
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))
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))
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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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))
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))
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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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 |c:10|
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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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=[#6]-1\[#6](-[#7]-c2ccccc-12)=[#6]-1/[#6](=O)-c2ccccc2-[#6]-1=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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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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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))
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))
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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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))
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
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