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Compile Data Set for Download or QSAR

Found 119 hits Enz. Inhib. hit(s) with all data for entry = 4054   
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))
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/Q2N58JS6
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/Q2N58JS6
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/Q2N58JS6
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/Q2N58JS6
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/Q2N58JS6
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

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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/Q2N58JS6
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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Assay Description
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PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2N58JS6
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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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/Q2N58JS6
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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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/Q2N58JS6
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

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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/Q2N58JS6
More data for this
Ligand-Target Pair
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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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/Q2N58JS6
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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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/Q2N58JS6
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

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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/Q2N58JS6
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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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/Q2N58JS6
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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Assay Description
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PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2N58JS6
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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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/Q2N58JS6
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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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/Q2N58JS6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM41761
PNG
(1,3-Dimethyl-7-(3-phenyl-propyl)-3,7-dihydro-purin...)
Show SMILES Cn1c2ncn(CCCc3ccccc3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C16H18N4O2/c1-18-14-13(15(21)19(2)16(18)22)20(11-17-14)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3
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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/Q2N58JS6
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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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/Q2N58JS6
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 |c:6|
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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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/Q2N58JS6
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 |w:12.13|
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/Q2N58JS6
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/Q2N58JS6
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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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/Q2N58JS6
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/Q2N58JS6
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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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/Q2N58JS6
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/Q2N58JS6
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/Q2N58JS6
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/Q2N58JS6
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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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/Q2N58JS6
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/Q2N58JS6
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/Q2N58JS6
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/Q2N58JS6
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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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/Q2N58JS6
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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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/Q2N58JS6
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/Q2N58JS6
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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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/Q2N58JS6
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/Q2N58JS6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM41777
PNG
(1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-pyridiny...)
Show SMILES O=C(Nc1ccccn1)C1CCN(CC1)S(=O)(=O)c1cccc2nonc12
Show InChI InChI=1S/C17H17N5O4S/c23-17(19-15-6-1-2-9-18-15)12-7-10-22(11-8-12)27(24,25)14-5-3-4-13-16(14)21-26-20-13/h1-6,9,12H,7-8,10-11H2,(H,18,19,23)
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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/Q2N58JS6
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/Q2N58JS6
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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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/Q2N58JS6
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/Q2N58JS6
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/Q2N58JS6
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/Q2N58JS6
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/an/an/a>5.00E+4n/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/Q2N58JS6
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 [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1
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/an/an/a>5.00E+4n/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/Q2N58JS6
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/Q2N58JS6
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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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/Q2N58JS6
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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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/Q2N58JS6
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/Q2N58JS6
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/Q2N58JS6
More data for this
Ligand-Target Pair
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