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PubMed code 16460930

Compile data set for download or QSAR
Found 10 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 1B


(Homo sapiens (human))
BDBM50182133
PNG
(3-(4-methoxybenzofuran-5-yl)-5-(4-methoxyphenyl)-4...)
Show SMILES COc1ccc(cc1)C1CC(=NO1)c1ccc2occc2c1OC
Show InChI InChI=1S/C19H17NO4/c1-21-13-5-3-12(4-6-13)18-11-16(20-24-18)14-7-8-17-15(9-10-23-17)19(14)22-2/h3-10,18H,11H2,1-2H3
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Article
PubMed
2.75E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 16: 2139-43 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.062
BindingDB Entry DOI: 10.7270/Q29K49ST
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50182134
PNG
(3-(4,7-dimethoxybenzofuran-5-yl)-5-phenyl-4,5-dihy...)
Show SMILES COc1cc(C2=NOC(C2)c2ccccc2)c(OC)c2ccoc12
Show InChI InChI=1S/C19H17NO4/c1-21-17-10-14(18(22-2)13-8-9-23-19(13)17)15-11-16(24-20-15)12-6-4-3-5-7-12/h3-10,16H,11H2,1-2H3
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PubMed
3.00E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 16: 2139-43 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.062
BindingDB Entry DOI: 10.7270/Q29K49ST
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50182131
PNG
(3-(4,7-dimethoxybenzofuran-5-yl)-5-(4-methoxypheny...)
Show SMILES COc1ccc(cc1)C1CC(=NO1)c1cc(OC)c2occc2c1OC
Show InChI InChI=1S/C20H19NO5/c1-22-13-6-4-12(5-7-13)17-11-16(21-26-17)15-10-18(23-2)20-14(8-9-25-20)19(15)24-3/h4-10,17H,11H2,1-3H3
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PubMed
3.20E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 16: 2139-43 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.062
BindingDB Entry DOI: 10.7270/Q29K49ST
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50182135
PNG
(3-(4-methoxybenzofuran-5-yl)-5-phenyl-4,5-dihydroi...)
Show SMILES COc1c(ccc2occc12)C1=NOC(C1)c1ccccc1
Show InChI InChI=1S/C18H15NO3/c1-20-18-13(7-8-16-14(18)9-10-21-16)15-11-17(22-19-15)12-5-3-2-4-6-12/h2-10,17H,11H2,1H3
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PubMed
4.50E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 16: 2139-43 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.062
BindingDB Entry DOI: 10.7270/Q29K49ST
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50182132
PNG
(CHEMBL205730 | methyl 3-(4-methoxybenzofuran-5-yl)...)
Show SMILES COC(=O)C1C(ON=C1c1ccc2occc2c1OC)c1ccccc1
Show InChI InChI=1S/C20H17NO5/c1-23-19-13-10-11-25-15(13)9-8-14(19)17-16(20(22)24-2)18(26-21-17)12-6-4-3-5-7-12/h3-11,16,18H,1-2H3
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Article
PubMed
7.25E+4n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 16: 2139-43 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.062
BindingDB Entry DOI: 10.7270/Q29K49ST
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50182134
PNG
(3-(4,7-dimethoxybenzofuran-5-yl)-5-phenyl-4,5-dihy...)
Show SMILES COc1cc(C2=NOC(C2)c2ccccc2)c(OC)c2ccoc12
Show InChI InChI=1S/C19H17NO4/c1-21-17-10-14(18(22-2)13-8-9-23-19(13)17)15-11-16(24-20-15)12-6-4-3-5-7-12/h3-10,16H,11H2,1-2H3
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PubMed
n/an/a 7.60E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 16: 2139-43 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.062
BindingDB Entry DOI: 10.7270/Q29K49ST
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50182131
PNG
(3-(4,7-dimethoxybenzofuran-5-yl)-5-(4-methoxypheny...)
Show SMILES COc1ccc(cc1)C1CC(=NO1)c1cc(OC)c2occc2c1OC
Show InChI InChI=1S/C20H19NO5/c1-22-13-6-4-12(5-7-13)17-11-16(21-26-17)15-10-18(23-2)20-14(8-9-25-20)19(15)24-3/h4-10,17H,11H2,1-3H3
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PubMed
n/an/a 8.10E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 16: 2139-43 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.062
BindingDB Entry DOI: 10.7270/Q29K49ST
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50182133
PNG
(3-(4-methoxybenzofuran-5-yl)-5-(4-methoxyphenyl)-4...)
Show SMILES COc1ccc(cc1)C1CC(=NO1)c1ccc2occc2c1OC
Show InChI InChI=1S/C19H17NO4/c1-21-13-5-3-12(4-6-13)18-11-16(20-24-18)14-7-8-17-15(9-10-23-17)19(14)22-2/h3-10,18H,11H2,1-2H3
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PubMed
n/an/a 1.50E+5n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 16: 2139-43 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.062
BindingDB Entry DOI: 10.7270/Q29K49ST
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50182132
PNG
(CHEMBL205730 | methyl 3-(4-methoxybenzofuran-5-yl)...)
Show SMILES COC(=O)C1C(ON=C1c1ccc2occc2c1OC)c1ccccc1
Show InChI InChI=1S/C20H17NO5/c1-23-19-13-10-11-25-15(13)9-8-14(19)17-16(20(22)24-2)18(26-21-17)12-6-4-3-5-7-12/h3-11,16,18H,1-2H3
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PubMed
n/an/a 1.99E+5n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 16: 2139-43 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.062
BindingDB Entry DOI: 10.7270/Q29K49ST
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50182135
PNG
(3-(4-methoxybenzofuran-5-yl)-5-phenyl-4,5-dihydroi...)
Show SMILES COc1c(ccc2occc12)C1=NOC(C1)c1ccccc1
Show InChI InChI=1S/C18H15NO3/c1-20-18-13(7-8-16-14(18)9-10-21-16)15-11-17(22-19-15)12-5-3-2-4-6-12/h2-10,17H,11H2,1H3
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PubMed
n/an/a 2.27E+5n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 16: 2139-43 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.062
BindingDB Entry DOI: 10.7270/Q29K49ST
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%