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PubMed code 26602279

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
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))
BDBM50456401
PNG
(IRIGENOL)
Show SMILES Oc1cc(cc(O)c1O)-c1coc2cc(O)c(O)c(O)c2c1=O
Show InChI InChI=1S/C15H10O8/c16-7-1-5(2-8(17)13(7)20)6-4-23-10-3-9(18)14(21)15(22)11(10)12(6)19/h1-4,16-18,20-22H
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n/an/a 500n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis


Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))
BDBM23411
PNG
(5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H
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n/an/a 600n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis


Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))
BDBM50499947
PNG
(CHEMBL3739950)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccco1
Show InChI InChI=1S/C13H8O6/c14-6-4-9(8-2-1-3-18-8)19-10-5-7(15)12(16)13(17)11(6)10/h1-5,15-17H
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n/an/a 800n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis


Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))
BDBM50499946
PNG
(CHEMBL3740878)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccoc1
Show InChI InChI=1S/C13H8O6/c14-7-3-9(6-1-2-18-5-6)19-10-4-8(15)12(16)13(17)11(7)10/h1-5,15-17H
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n/an/a 900n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis


Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))
BDBM26661
PNG
(7,3,4,5-tetrahydroxyflavone | 7-hydroxy-2-(3,4,5-t...)
Show SMILES Oc1ccc2c(c1)oc(cc2=O)-c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-1-2-9-10(17)6-13(21-14(9)5-8)7-3-11(18)15(20)12(19)4-7/h1-6,16,18-20H
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n/an/a 3.00E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis


Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))
BDBM26658
PNG
(2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopy...)
Show SMILES Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
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n/an/a 4.30E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis


Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))
BDBM50499945
PNG
(CHEMBL3740356)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccsc1
Show InChI InChI=1S/C13H8O5S/c14-7-3-9(6-1-2-19-5-6)18-10-4-8(15)12(16)13(17)11(7)10/h1-5,15-17H
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n/an/a 5.40E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis


Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))
BDBM50499944
PNG
(CHEMBL3739990)
Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H16O5/c1-26-22-17(24)12-19-20(21(22)25)16(23)11-18(27-19)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12,24-25H,1H3
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n/an/a 6.60E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis


Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))
BDBM50391109
PNG
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...)
Show SMILES [O-][V]([O-])([O-])=O
Show InChI InChI=1S/4O.V/q;3*-1;
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n/an/a 8.30E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis


Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))
BDBM50009001
PNG
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
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n/an/a 1.03E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis


Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))
BDBM50499948
PNG
(CHEMBL3741920)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1cccs1
Show InChI InChI=1S/C13H8O5S/c14-6-4-8(10-2-1-3-19-10)18-9-5-7(15)12(16)13(17)11(6)9/h1-5,15-17H
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n/an/a 1.04E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis


Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))
BDBM26656
PNG
(5,7,3,4,5-pentahydroxyflavone | 5,7-dihydroxy-2-(3...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H
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n/an/a 1.75E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis


Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%