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PubMed code 16530413

Compile data set for download or QSAR
Found 15 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
Protein-tyrosine phosphatase 4A3


(Homo sapiens)
BDBM50184297
PNG
(5-(5-(benzo[b]thiophen-3-yl)-2-(benzyloxy)benzylid...)
Show SMILES SC1=NC(=O)C(S1)=Cc1cc(ccc1OCc1ccccc1)-c1csc2ccccc12
Show InChI InChI=1S/C25H17NO2S3/c27-24-23(31-25(29)26-24)13-18-12-17(20-15-30-22-9-5-4-8-19(20)22)10-11-21(18)28-14-16-6-2-1-3-7-16/h1-13,15H,14H2,(H,26,27,29)
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n/an/a 900n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRL-3


Bioorg Med Chem Lett 16: 2996-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.060
BindingDB Entry DOI: 10.7270/Q2RB746W
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 4A3


(Homo sapiens)
BDBM50184288
PNG
(5-(2-(2-bromobenzyloxy)-5-bromobenzylidene)-2-thio...)
Show SMILES SC1=NC(=O)C(S1)=Cc1cc(Br)ccc1OCc1ccccc1Br
Show InChI InChI=1S/C17H11Br2NO2S2/c18-12-5-6-14(22-9-10-3-1-2-4-13(10)19)11(7-12)8-15-16(21)20-17(23)24-15/h1-8H,9H2,(H,20,21,23)
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n/an/a 900n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRL-3


Bioorg Med Chem Lett 16: 2996-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.060
BindingDB Entry DOI: 10.7270/Q2RB746W
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 4A3


(Homo sapiens)
BDBM50184287
PNG
(5-(5-(benzofuran-3-yl)-2-(benzyloxy)benzylidene)-2...)
Show SMILES SC1=NC(=O)C(S1)=Cc1cc(ccc1OCc1ccccc1)-c1coc2ccccc12
Show InChI InChI=1S/C25H17NO3S2/c27-24-23(31-25(30)26-24)13-18-12-17(20-15-29-22-9-5-4-8-19(20)22)10-11-21(18)28-14-16-6-2-1-3-7-16/h1-13,15H,14H2,(H,26,27,30)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRL-3


Bioorg Med Chem Lett 16: 2996-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.060
BindingDB Entry DOI: 10.7270/Q2RB746W
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 4A3


(Homo sapiens)
BDBM50184285
PNG
(5-(2-(4-bromobenzyloxy)benzylidene)-2-thioxothiazo...)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccccc1OCc1ccc(Br)cc1
Show InChI InChI=1S/C17H12BrNO2S2/c18-13-7-5-11(6-8-13)10-21-14-4-2-1-3-12(14)9-15-16(20)19-17(22)23-15/h1-9H,10H2,(H,19,20,22)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRL-3


Bioorg Med Chem Lett 16: 2996-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.060
BindingDB Entry DOI: 10.7270/Q2RB746W
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 4A3


(Homo sapiens)
BDBM50184296
PNG
(5-((3-(2-chloro-6-fluorobenzyloxy)naphthalen-2-yl)...)
Show SMILES Fc1cccc(Cl)c1COc1cc2ccccc2cc1C=C1SC(S)=NC1=O
Show InChI InChI=1S/C21H13ClFNO2S2/c22-16-6-3-7-17(23)15(16)11-26-18-9-13-5-2-1-4-12(13)8-14(18)10-19-20(25)24-21(27)28-19/h1-10H,11H2,(H,24,25,27)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRL-3


Bioorg Med Chem Lett 16: 2996-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.060
BindingDB Entry DOI: 10.7270/Q2RB746W
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 4A3


(Homo sapiens)
BDBM50184298
PNG
(5-(4-Benzyloxy-biphenyl-3-ylmethylene)-2-thioxo-th...)
Show SMILES SC1=NC(=O)C(S1)=Cc1cc(ccc1OCc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H17NO2S2/c25-22-21(28-23(27)24-22)14-19-13-18(17-9-5-2-6-10-17)11-12-20(19)26-15-16-7-3-1-4-8-16/h1-14H,15H2,(H,24,25,27)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRL-3


Bioorg Med Chem Lett 16: 2996-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.060
BindingDB Entry DOI: 10.7270/Q2RB746W
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 4A3


(Homo sapiens)
BDBM50184293
PNG
(5-[1-[3-(biphenyl-4-ylmethoxy)-naphthalen-2-yl]-me...)
Show SMILES SC1=NC(=O)C(S1)=Cc1cc2ccccc2cc1OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H19NO2S2/c29-26-25(32-27(31)28-26)16-23-14-21-8-4-5-9-22(21)15-24(23)30-17-18-10-12-20(13-11-18)19-6-2-1-3-7-19/h1-16H,17H2,(H,28,29,31)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRL-3


Bioorg Med Chem Lett 16: 2996-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.060
BindingDB Entry DOI: 10.7270/Q2RB746W
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 4A3


(Homo sapiens)
BDBM50184291
PNG
(5-((3-(benzyloxy)naphthalen-2-yl)methylene)-2-thio...)
Show SMILES SC1=NC(=O)C(S1)=Cc1cc2ccccc2cc1OCc1ccccc1
Show InChI InChI=1S/C21H15NO2S2/c23-20-19(26-21(25)22-20)12-17-10-15-8-4-5-9-16(15)11-18(17)24-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23,25)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRL-3


Bioorg Med Chem Lett 16: 2996-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.060
BindingDB Entry DOI: 10.7270/Q2RB746W
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 4A3


(Homo sapiens)
BDBM50184290
PNG
(5-(2-(2-chlorobenzyloxy)-5-bromobenzylidene)-2-thi...)
Show SMILES SC1=NC(=O)C(S1)=Cc1cc(Br)ccc1OCc1ccccc1Cl
Show InChI InChI=1S/C17H11BrClNO2S2/c18-12-5-6-14(22-9-10-3-1-2-4-13(10)19)11(7-12)8-15-16(21)20-17(23)24-15/h1-8H,9H2,(H,20,21,23)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRL-3


Bioorg Med Chem Lett 16: 2996-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.060
BindingDB Entry DOI: 10.7270/Q2RB746W
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 4A3


(Homo sapiens)
BDBM50184294
PNG
(5-(2-(benzyloxy)-5-bromobenzylidene)-2-thioxothiaz...)
Show SMILES SC1=NC(=O)C(S1)=Cc1cc(Br)ccc1OCc1ccccc1
Show InChI InChI=1S/C17H12BrNO2S2/c18-13-6-7-14(21-10-11-4-2-1-3-5-11)12(8-13)9-15-16(20)19-17(22)23-15/h1-9H,10H2,(H,19,20,22)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRL-3


Bioorg Med Chem Lett 16: 2996-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.060
BindingDB Entry DOI: 10.7270/Q2RB746W
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 4A3


(Homo sapiens)
BDBM50184292
PNG
(5-((3-(3,5-dimethoxybenzyloxy)naphthalen-2-yl)meth...)
Show SMILES COc1cc(COc2cc3ccccc3cc2C=C2SC(S)=NC2=O)cc(OC)c1
Show InChI InChI=1S/C23H19NO4S2/c1-26-18-7-14(8-19(12-18)27-2)13-28-20-10-16-6-4-3-5-15(16)9-17(20)11-21-22(25)24-23(29)30-21/h3-12H,13H2,1-2H3,(H,24,25,29)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRL-3


Bioorg Med Chem Lett 16: 2996-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.060
BindingDB Entry DOI: 10.7270/Q2RB746W
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 4A3


(Homo sapiens)
BDBM50184289
PNG
(5-[1-(4-benzyloxy-4'-dimethylamino-biphenyl-3-yl)-...)
Show SMILES CN(C)c1ccc(cc1)-c1ccc(OCc2ccccc2)c(C=C2SC(S)=NC2=O)c1
Show InChI InChI=1S/C25H22N2O2S2/c1-27(2)21-11-8-18(9-12-21)19-10-13-22(29-16-17-6-4-3-5-7-17)20(14-19)15-23-24(28)26-25(30)31-23/h3-15H,16H2,1-2H3,(H,26,28,30)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRL-3


Bioorg Med Chem Lett 16: 2996-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.060
BindingDB Entry DOI: 10.7270/Q2RB746W
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 4A3


(Homo sapiens)
BDBM50184286
PNG
(5-(2-(benzyloxy)-5-bromobenzyl)-2-thioxothiazolidi...)
Show SMILES Oc1nc(S)sc1Cc1cc(Br)ccc1OCc1ccccc1
Show InChI InChI=1S/C17H14BrNO2S2/c18-13-6-7-14(21-10-11-4-2-1-3-5-11)12(8-13)9-15-16(20)19-17(22)23-15/h1-8,20H,9-10H2,(H,19,22)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRL-3


Bioorg Med Chem Lett 16: 2996-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.060
BindingDB Entry DOI: 10.7270/Q2RB746W
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 4A3


(Homo sapiens)
BDBM50184295
PNG
((Z)-5-(5-bromo-2-hydroxybenzylidene)-2-thioxothiaz...)
Show SMILES Oc1ccc(Br)cc1C=C1SC(S)=NC1=O
Show InChI InChI=1S/C10H6BrNO2S2/c11-6-1-2-7(13)5(3-6)4-8-9(14)12-10(15)16-8/h1-4,13H,(H,12,14,15)
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n/an/a 9.50E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRL-3


Bioorg Med Chem Lett 16: 2996-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.060
BindingDB Entry DOI: 10.7270/Q2RB746W
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 4A3


(Homo sapiens)
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 5.36E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRL-3


Bioorg Med Chem Lett 16: 2996-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.060
BindingDB Entry DOI: 10.7270/Q2RB746W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%