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PubChem AID 1383

Compile data set for download or QSAR
Found 12 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))
BDBM32342
PNG
((2-amino-6-nitro-1,3-benzothiazol-7-yl)amine | 2,7...)
Show SMILES Nc1nc2ccc(c(N)c2s1)[N+]([O-])=O
Show InChI InChI=1S/C7H6N4O2S/c8-5-4(11(12)13)2-1-3-6(5)14-7(9)10-3/h1-2H,8H2,(H2,9,10)
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n/an/a 410n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2930RK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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n/an/a 6.63E+3n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2930RK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM32338
PNG
(4-amino-7-(3,4-dihydroxy-5-methylol-tetrahydrofura...)
Show SMILES NC(=O)c1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12
Show InChI InChI=1S/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)
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n/an/a 1.21E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2930RK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM32334
PNG
(7-hydroxy-2,3,4,5-tetrahydro-1H-[1]benzofuro[2,3-c...)
Show SMILES Oc1ccc2oc3c(CCCNC3=O)c2c1
Show InChI InChI=1S/C12H11NO3/c14-7-3-4-10-9(6-7)8-2-1-5-13-12(15)11(8)16-10/h3-4,6,14H,1-2,5H2,(H,13,15)
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n/an/a 1.67E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2930RK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM32341
PNG
(5-(3-Chloro-phenyl)-furan-2-carboxylic acid (4-mor...)
Show SMILES Clc1cccc(c1)-c1ccc(o1)C(=O)Nc1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C22H21ClN2O3/c23-18-3-1-2-17(14-18)20-8-9-21(28-20)22(26)24-19-6-4-16(5-7-19)15-25-10-12-27-13-11-25/h1-9,14H,10-13,15H2,(H,24,26)
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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
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2930RK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM32333
PNG
((6Z)-6-[4-(3-aminopropylamino)-6-methyl-1H-pyrimid...)
Show SMILES Cc1cc(NCCCN)nc(n1)-c1ccccc1O
Show InChI InChI=1S/C14H18N4O/c1-10-9-13(16-8-4-7-15)18-14(17-10)11-5-2-3-6-12(11)19/h2-3,5-6,9,19H,4,7-8,15H2,1H3,(H,16,17,18)
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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
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2930RK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM32337
PNG
(MLS000028832 | SMR000058536 | STAUROSPORINE | cid_...)
Show SMILES CN[C@H]1C[C@H]2O[C@@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20+,26-,28-/m0/s1
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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
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2930RK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM32339
PNG
(5-Bromo-furan-2-carboxylic acid [2-(4-methanesulfo...)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccccc1NC(=O)c1ccc(Br)o1
Show InChI InChI=1S/C16H18BrN3O4S/c1-25(22,23)20-10-8-19(9-11-20)13-5-3-2-4-12(13)18-16(21)14-6-7-15(17)24-14/h2-7H,8-11H2,1H3,(H,18,21)
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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
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2930RK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM32336
PNG
((5-acetyloxy-4-methyl-2-oxidanylidene-chromen-7-yl...)
Show SMILES CC(=O)Oc1cc(OC(C)=O)c2c(C)cc(=O)oc2c1
Show InChI InChI=1S/C14H12O6/c1-7-4-13(17)20-12-6-10(18-8(2)15)5-11(14(7)12)19-9(3)16/h4-6H,1-3H3
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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
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2930RK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM32343
PNG
((3,5-dichloro-4-pyridyl)-(4-pyridylmethyleneamino)...)
Show SMILES Clc1cncc(Cl)c1N=NCc1ccncc1
Show InChI InChI=1S/C11H8Cl2N4/c12-9-6-15-7-10(13)11(9)17-16-5-8-1-3-14-4-2-8/h1-4,6-7H,5H2
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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
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2930RK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM32340
PNG
(3-ethyl-6-methoxy-1H-benzo[de]cinnoline | MLS00053...)
Show SMILES CCc1n[nH]c2cccc3c(OC)ccc1c23
Show InChI InChI=1S/C14H14N2O/c1-3-11-9-7-8-13(17-2)10-5-4-6-12(14(9)10)16-15-11/h4-8,16H,3H2,1-2H3
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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
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2930RK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM32335
PNG
(MLS000087884 | N-[2-(2-methylphenyl)-2,6-dihydro-4...)
Show SMILES CCC(=O)Nc1c2CSCc2nn1-c1ccccc1C
Show InChI InChI=1S/C15H17N3OS/c1-3-14(19)16-15-11-8-20-9-12(11)17-18(15)13-7-5-4-6-10(13)2/h4-7H,3,8-9H2,1-2H3,(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
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2930RK5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%