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PubChem AID 1057

Compile data set for download or QSAR
Found 33 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))
BDBM46107
PNG
(6-amino-2,4-diketo-N-phenyl-1H-pyrimidine-5-sulfon...)
Show SMILES Nc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C10H10N4O4S/c11-8-7(9(15)13-10(16)12-8)19(17,18)14-6-4-2-1-3-5-6/h1-5,14H,(H4,11,12,13,15,16)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46127
PNG
(4-[(2,4-difluorobenzoyl)amino]benzoic acid butyl e...)
Show SMILES CCCCOC(=O)c1ccc(NC(=O)c2ccc(F)cc2F)cc1
Show InChI InChI=1S/C18H17F2NO3/c1-2-3-10-24-18(23)12-4-7-14(8-5-12)21-17(22)15-9-6-13(19)11-16(15)20/h4-9,11H,2-3,10H2,1H3,(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: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46112
PNG
(2-[(6-amino-2,4-diketo-1-methyl-pyrimidine-5-carbo...)
Show SMILES CCOC(=O)c1ccccc1NC(=O)c1c(N)n(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H16N4O5/c1-3-24-14(22)8-6-4-5-7-9(8)17-12(20)10-11(16)19(2)15(23)18-13(10)21/h4-7H,3,16H2,1-2H3,(H,17,20)(H,18,21,23)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46118
PNG
(5-[[(3-methylphenyl)hydrazo]methylidene]-2-sulfany...)
Show SMILES Cc1cccc(NNC=C2C(=O)NC(=S)NC2=O)c1
Show InChI InChI=1S/C12H12N4O2S/c1-7-3-2-4-8(5-7)16-13-6-9-10(17)14-12(19)15-11(9)18/h2-6,13,16H,1H3,(H2,14,15,17,18,19)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46125
PNG
(2-[(2,4-difluorobenzoyl)amino]benzoic acid ethyl e...)
Show SMILES CCOC(=O)c1ccccc1NC(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C16H13F2NO3/c1-2-22-16(21)12-5-3-4-6-14(12)19-15(20)11-8-7-10(17)9-13(11)18/h3-9H,2H2,1H3,(H,19,20)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46097
PNG
(2-[(6-hydroxy-4-keto-2-thioxo-1H-pyrimidine-5-carb...)
Show SMILES CCOC(=O)c1ccccc1NC(=O)c1c(O)[nH]c(=S)[nH]c1=O
Show InChI InChI=1S/C14H13N3O5S/c1-2-22-13(21)7-5-3-4-6-8(7)15-10(18)9-11(19)16-14(23)17-12(9)20/h3-6H,2H2,1H3,(H,15,18)(H3,16,17,19,20,23)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46116
PNG
(4-amino-1,3-dimethyl-2,6-dioxo-N-(phenylmethyl)-5-...)
Show SMILES Cn1c(N)c(c(=O)n(C)c1=O)S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C13H16N4O4S/c1-16-11(14)10(12(18)17(2)13(16)19)22(20,21)15-8-9-6-4-3-5-7-9/h3-7,15H,8,14H2,1-2H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46096
PNG
(2-[(6-hydroxy-2,4-diketo-1H-pyrimidine-5-carbonyl)...)
Show SMILES CCOC(=O)c1ccccc1NC(=O)c1c(O)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C14H13N3O6/c1-2-23-13(21)7-5-3-4-6-8(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: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46100
PNG
(6-hydroxy-2,4-diketo-N-phenyl-1H-pyrimidine-5-carb...)
Show SMILES Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C11H9N3O4/c15-8(12-6-4-2-1-3-5-6)7-9(16)13-11(18)14-10(7)17/h1-5H,(H,12,15)(H3,13,14,16,17,18)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46101
PNG
(6-hydroxy-2,4-diketo-N-p-phenetyl-1H-pyrimidine-5-...)
Show SMILES CCOc1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C13H13N3O5/c1-2-21-8-5-3-7(4-6-8)14-10(17)9-11(18)15-13(20)16-12(9)19/h3-6H,2H2,1H3,(H,14,17)(H3,15,16,18,19,20)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46113
PNG
(6-amino-1-methyl-2,4-dioxo-N-phenyl-5-pyrimidineca...)
Show SMILES Cn1c(N)c(C(=O)Nc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H12N4O3/c1-16-9(13)8(11(18)15-12(16)19)10(17)14-7-5-3-2-4-6-7/h2-6H,13H2,1H3,(H,14,17)(H,15,18,19)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46115
PNG
(4-[[6-(benzylamino)-2,4-diketo-1H-pyrimidine-5-car...)
Show SMILES CCOC(=O)c1ccc(NC(=O)c2c(NCc3ccccc3)[nH]c(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C21H20N4O5/c1-2-30-20(28)14-8-10-15(11-9-14)23-18(26)16-17(24-21(29)25-19(16)27)22-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,23,26)(H3,22,24,25,27,29)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46123
PNG
(6-[(2,4-difluorobenzoyl)amino]hexanoic acid ethyl ...)
Show SMILES CCOC(=O)CCCCCNC(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C15H19F2NO3/c1-2-21-14(19)6-4-3-5-9-18-15(20)12-8-7-11(16)10-13(12)17/h7-8,10H,2-6,9H2,1H3,(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: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46120
PNG
(4-[(2,4-difluorobenzoyl)amino]benzoic acid ethyl e...)
Show SMILES CCOC(=O)c1ccc(NC(=O)c2ccc(F)cc2F)cc1
Show InChI InChI=1S/C16H13F2NO3/c1-2-22-16(21)10-3-6-12(7-4-10)19-15(20)13-8-5-11(17)9-14(13)18/h3-9H,2H2,1H3,(H,19,20)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46121
PNG
(2,4-bis(fluoranyl)-N-phenyl-benzamide | 2,4-difluo...)
Show SMILES Fc1ccc(C(=O)Nc2ccccc2)c(F)c1
Show InChI InChI=1S/C13H9F2NO/c14-9-6-7-11(12(15)8-9)13(17)16-10-4-2-1-3-5-10/h1-8H,(H,16,17)
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Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46098
PNG
(4-[(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)s...)
Show SMILES CCOC(=O)c1ccc(NS(=O)(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1
Show InChI InChI=1S/C15H18N4O6S/c1-4-25-14(21)9-5-7-10(8-6-9)17-26(23,24)11-12(16)18(2)15(22)19(3)13(11)20/h5-8,17H,4,16H2,1-3H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46104
PNG
(4-[(6-amino-2,4-diketo-1-methyl-pyrimidine-5-carbo...)
Show SMILES CCOC(=O)c1ccc(NC(=O)c2c(N)n(C)c(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C15H16N4O5/c1-3-24-14(22)8-4-6-9(7-5-8)17-12(20)10-11(16)19(2)15(23)18-13(10)21/h4-7H,3,16H2,1-2H3,(H,17,20)(H,18,21,23)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46105
PNG
(4-[(6-amino-1-benzyl-2,4-diketo-pyrimidine-5-carbo...)
Show SMILES CCOC(=O)c1ccc(NC(=O)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C21H20N4O5/c1-2-30-20(28)14-8-10-15(11-9-14)23-18(26)16-17(22)25(21(29)24-19(16)27)12-13-6-4-3-5-7-13/h3-11H,2,12,22H2,1H3,(H,23,26)(H,24,27,29)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
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: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46122
PNG
(2,4-bis(fluoranyl)-N-(4-methylphenyl)benzamide | 2...)
Show SMILES Cc1ccc(NC(=O)c2ccc(F)cc2F)cc1
Show InChI InChI=1S/C14H11F2NO/c1-9-2-5-11(6-3-9)17-14(18)12-7-4-10(15)8-13(12)16/h2-8H,1H3,(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: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46099
PNG
(3-[(6-hydroxy-2,4-diketo-1H-pyrimidine-5-carbonyl)...)
Show SMILES CCOC(=O)c1cccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)c1
Show InChI InChI=1S/C14H13N3O6/c1-2-23-13(21)7-4-3-5-8(6-7)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: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46103
PNG
(4-[(4-amino-2,6-diketo-1,3-dimethyl-pyrimidine-5-c...)
Show SMILES CCOC(=O)c1ccc(NC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1
Show InChI InChI=1S/C16H18N4O5/c1-4-25-15(23)9-5-7-10(8-6-9)18-13(21)11-12(17)19(2)16(24)20(3)14(11)22/h5-8H,4,17H2,1-3H3,(H,18,21)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46111
PNG
(4-[(6-amino-2,4-diketo-1-methyl-pyrimidine-5-carbo...)
Show SMILES CCCCOC(=O)c1ccc(NC(=O)c2c(N)n(C)c(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C17H20N4O5/c1-3-4-9-26-16(24)10-5-7-11(8-6-10)19-14(22)12-13(18)21(2)17(25)20-15(12)23/h5-8H,3-4,9,18H2,1-2H3,(H,19,22)(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: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46114
PNG
(3-[(6-amino-2,4-diketo-1-methyl-pyrimidine-5-carbo...)
Show SMILES CCOC(=O)c1cccc(NC(=O)c2c(N)n(C)c(=O)[nH]c2=O)c1
Show InChI InChI=1S/C15H16N4O5/c1-3-24-14(22)8-5-4-6-9(7-8)17-12(20)10-11(16)19(2)15(23)18-13(10)21/h4-7H,3,16H2,1-2H3,(H,17,20)(H,18,21,23)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46119
PNG
(N'-[1-(2,4,6-triketohexahydropyrimidin-5-ylidene)e...)
Show SMILES CC(NNC(=O)c1ccncc1)=C1C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C12H11N5O4/c1-6(8-10(19)14-12(21)15-11(8)20)16-17-9(18)7-2-4-13-5-3-7/h2-5,16H,1H3,(H,17,18)(H2,14,15,19,20,21)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46126
PNG
(3-[(2,4-difluorobenzoyl)amino]benzoic acid ethyl e...)
Show SMILES CCOC(=O)c1cccc(NC(=O)c2ccc(F)cc2F)c1
Show InChI InChI=1S/C16H13F2NO3/c1-2-22-16(21)10-4-3-5-12(8-10)19-15(20)13-7-6-11(17)9-14(13)18/h3-9H,2H2,1H3,(H,19,20)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46108
PNG
(3-[[6-(benzylamino)-2,4-diketo-1H-pyrimidine-5-car...)
Show SMILES CCOC(=O)c1cccc(NC(=O)c2c(NCc3ccccc3)[nH]c(=O)[nH]c2=O)c1
Show InChI InChI=1S/C21H20N4O5/c1-2-30-20(28)14-9-6-10-15(11-14)23-18(26)16-17(24-21(29)25-19(16)27)22-12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H,23,26)(H3,22,24,25,27,29)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46110
PNG
(6-amino-2,4-diketo-1-methyl-N-p-phenetyl-pyrimidin...)
Show SMILES CCOc1ccc(NC(=O)c2c(N)n(C)c(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C14H16N4O4/c1-3-22-9-6-4-8(5-7-9)16-12(19)10-11(15)18(2)14(21)17-13(10)20/h4-7H,3,15H2,1-2H3,(H,16,19)(H,17,20,21)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46124
PNG
(2,4-difluoro-N-p-phenetyl-benzamide | N-(4-ethoxyp...)
Show SMILES CCOc1ccc(NC(=O)c2ccc(F)cc2F)cc1
Show InChI InChI=1S/C15H13F2NO2/c1-2-20-12-6-4-11(5-7-12)18-15(19)13-8-3-10(16)9-14(13)17/h3-9H,2H2,1H3,(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: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46102
PNG
(4-[(6-hydroxy-2,4-diketo-1H-pyrimidine-5-carbonyl)...)
Show SMILES CCCCOC(=O)c1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C16H17N3O6/c1-2-3-8-25-15(23)9-4-6-10(7-5-9)17-12(20)11-13(21)18-16(24)19-14(11)22/h4-7H,2-3,8H2,1H3,(H,17,20)(H3,18,19,21,22,24)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46106
PNG
(6-hydroxy-4-keto-N-phenyl-2-thioxo-1H-pyrimidine-5...)
Show SMILES Oc1[nH]c(=S)[nH]c(=O)c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C11H9N3O3S/c15-8(12-6-4-2-1-3-5-6)7-9(16)13-11(18)14-10(7)17/h1-5H,(H,12,15)(H3,13,14,16,17,18)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46117
PNG
(6-[[hydroxy-(2,4,6-triketohexahydropyrimidin-5-yli...)
Show SMILES CCOC(=O)CCCCCNC(=O)C1C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C13H19N3O6/c1-2-22-8(17)6-4-3-5-7-14-10(18)9-11(19)15-13(21)16-12(9)20/h9H,2-7H2,1H3,(H,14,18)(H2,15,16,19,20,21)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM46109
PNG
(6-amino-2,4-diketo-N-(2-methoxyphenyl)-1H-pyrimidi...)
Show SMILES COc1ccccc1NS(=O)(=O)c1c(N)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C11H12N4O5S/c1-20-7-5-3-2-4-6(7)15-21(18,19)8-9(12)13-11(17)14-10(8)16/h2-5,15H,1H3,(H4,12,13,14,16,17)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q280511V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%