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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for entry = 50028486   
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
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50256796
PNG
(6,7-Dihydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphen...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)c(O)cc2c(=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H20O5/c29-21-12-10-20(11-13-21)28-23(27(32)22-15-24(30)25(31)16-26(22)33-28)14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-13,15-16,29-31H,14H2
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270n/an/an/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1 by competitive inhibition assay


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50256796
PNG
(6,7-Dihydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphen...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)c(O)cc2c(=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H20O5/c29-21-12-10-20(11-13-21)28-23(27(32)22-15-24(30)25(31)16-26(22)33-28)14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-13,15-16,29-31H,14H2
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340n/an/an/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1 by competitive inhibition assay


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257418
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(3'',4''-dihydro...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C28H20O6/c29-20-8-5-18(6-9-20)28-23(27(33)22-11-10-21(30)15-26(22)34-28)13-16-1-3-17(4-2-16)19-7-12-24(31)25(32)14-19/h1-12,14-15,29-32H,13H2
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2.23E+3n/an/an/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1 by mixed type inhibition assay


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257294
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphenyl-4...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H20O4/c29-22-12-10-21(11-13-22)28-25(27(31)24-15-14-23(30)17-26(24)32-28)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-15,17,29-30H,16H2
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2.50E+3n/an/an/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1 by mixed type inhibition assay


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257418
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(3'',4''-dihydro...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C28H20O6/c29-20-8-5-18(6-9-20)28-23(27(33)22-11-10-21(30)15-26(22)34-28)13-16-1-3-17(4-2-16)19-7-12-24(31)25(32)14-19/h1-12,14-15,29-32H,13H2
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2.68E+3n/an/an/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1 by mixed type inhibition assay


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257294
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphenyl-4...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H20O4/c29-22-12-10-21(11-13-22)28-25(27(31)24-15-14-23(30)17-26(24)32-28)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-15,17,29-30H,16H2
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7.80E+3n/an/an/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1 by mixed type inhibition assay


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50257294
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphenyl-4...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H20O4/c29-22-12-10-21(11-13-22)28-25(27(31)24-15-14-23(30)17-26(24)32-28)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-15,17,29-30H,16H2
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2.91E+4n/an/an/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned PTP1B expressed in Escherichia coli TB1 by mixed type inhibition assay


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257478
PNG
(2-(4'-Hydroxyphenyl)-3-[(4''carboxy-3''-hydroxy-1,...)
Show SMILES OC(=O)c1ccc(cc1O)-c1ccc(Cc2c(oc3ccccc3c2=O)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C29H20O6/c30-21-12-9-19(10-13-21)28-24(27(32)23-3-1-2-4-26(23)35-28)15-17-5-7-18(8-6-17)20-11-14-22(29(33)34)25(31)16-20/h1-14,16,30-31H,15H2,(H,33,34)
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n/an/a 700n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50086976
PNG
(4''-(2-Butyl-benzofuran-3-yl)-biphenyl-4-ol | 4'-(...)
Show SMILES CCCCc1oc2ccccc2c1-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C24H22O2/c1-2-3-7-23-24(21-6-4-5-8-22(21)26-23)19-11-9-17(10-12-19)18-13-15-20(25)16-14-18/h4-6,8-16,25H,2-3,7H2,1H3
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n/an/a 740n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50257478
PNG
(2-(4'-Hydroxyphenyl)-3-[(4''carboxy-3''-hydroxy-1,...)
Show SMILES OC(=O)c1ccc(cc1O)-c1ccc(Cc2c(oc3ccccc3c2=O)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C29H20O6/c30-21-12-9-19(10-13-21)28-24(27(32)23-3-1-2-4-26(23)35-28)15-17-5-7-18(8-6-17)20-11-14-22(29(33)34)25(31)16-20/h1-14,16,30-31H,15H2,(H,33,34)
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n/an/a 900n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned PTP1B expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50257477
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(4''carboxy-3''-...)
Show SMILES OC(=O)c1ccc(cc1O)-c1ccc(Cc2c(oc3cc(O)ccc3c2=O)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C29H20O7/c30-20-8-5-18(6-9-20)28-24(27(33)23-12-10-21(31)15-26(23)36-28)13-16-1-3-17(4-2-16)19-7-11-22(29(34)35)25(32)14-19/h1-12,14-15,30-32H,13H2,(H,34,35)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned PTP1B expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50256813
PNG
((3-(4'-hydroxybiphenyl-4-yl)benzofuran-2-yl)(4-hyd...)
Show SMILES Oc1ccc(cc1)C(=O)c1oc2ccccc2c1-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C27H18O4/c28-21-13-9-18(10-14-21)17-5-7-19(8-6-17)25-23-3-1-2-4-24(23)31-27(25)26(30)20-11-15-22(29)16-12-20/h1-16,28-29H
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n/an/a 1.08E+3n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50256796
PNG
(6,7-Dihydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphen...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)c(O)cc2c(=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H20O5/c29-21-12-10-20(11-13-21)28-23(27(32)22-15-24(30)25(31)16-26(22)33-28)14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-13,15-16,29-31H,14H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50086945
PNG
(4''-(2-Butyl-benzofuran-3-ylmethyl)-biphenyl-4-ol ...)
Show SMILES CCCCc1oc2ccccc2c1Cc1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C25H24O2/c1-2-3-7-25-23(22-6-4-5-8-24(22)27-25)17-18-9-11-19(12-10-18)20-13-15-21(26)16-14-20/h4-6,8-16,26H,2-3,7,17H2,1H3
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n/an/a 1.19E+3n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257477
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(4''carboxy-3''-...)
Show SMILES OC(=O)c1ccc(cc1O)-c1ccc(Cc2c(oc3cc(O)ccc3c2=O)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C29H20O7/c30-20-8-5-18(6-9-20)28-24(27(33)23-12-10-21(31)15-26(23)36-28)13-16-1-3-17(4-2-16)19-7-11-22(29(34)35)25(32)14-19/h1-12,14-15,30-32H,13H2,(H,34,35)
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50256796
PNG
(6,7-Dihydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphen...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)c(O)cc2c(=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H20O5/c29-21-12-10-20(11-13-21)28-23(27(32)22-15-24(30)25(31)16-26(22)33-28)14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-13,15-16,29-31H,14H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned PTP1B expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50086928
PNG
(2-(4'-(2-butylbenzofuran-3-yl)biphenyl-4-yloxy)ace...)
Show SMILES CCCCc1oc2ccccc2c1-c1ccc(cc1)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C26H24O4/c1-2-3-7-24-26(22-6-4-5-8-23(22)30-24)20-11-9-18(10-12-20)19-13-15-21(16-14-19)29-17-25(27)28/h4-6,8-16H,2-3,7,17H2,1H3,(H,27,28)
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n/an/a 2.19E+3n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257477
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(4''carboxy-3''-...)
Show SMILES OC(=O)c1ccc(cc1O)-c1ccc(Cc2c(oc3cc(O)ccc3c2=O)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C29H20O7/c30-20-8-5-18(6-9-20)28-24(27(33)23-12-10-21(31)15-26(23)36-28)13-16-1-3-17(4-2-16)19-7-11-22(29(34)35)25(32)14-19/h1-12,14-15,30-32H,13H2,(H,34,35)
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50256796
PNG
(6,7-Dihydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphen...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)c(O)cc2c(=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H20O5/c29-21-12-10-20(11-13-21)28-23(27(32)22-15-24(30)25(31)16-26(22)33-28)14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-13,15-16,29-31H,14H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50257476
PNG
(2-(4'-Hydroxyphenyl)-3-[(3'',4''-dihydroxy-1,1'-bi...)
Show SMILES Oc1ccc(cc1)-c1oc2ccccc2c(=O)c1Cc1ccc(cc1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C28H20O5/c29-21-12-9-19(10-13-21)28-23(27(32)22-3-1-2-4-26(22)33-28)15-17-5-7-18(8-6-17)20-11-14-24(30)25(31)16-20/h1-14,16,29-31H,15H2
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned PTP1B expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50240530
PNG
(3-(biphenyl-4-ylmethyl)-7-hydroxy-2-(4-hydroxybenz...)
Show SMILES Oc1ccc(Cc2oc3cc(O)ccc3c(=O)c2Cc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C29H22O4/c30-23-12-8-20(9-13-23)17-27-26(29(32)25-15-14-24(31)18-28(25)33-27)16-19-6-10-22(11-7-19)21-4-2-1-3-5-21/h1-15,18,30-31H,16-17H2
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n/an/a 5.30E+3n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257294
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphenyl-4...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H20O4/c29-22-12-10-21(11-13-22)28-25(27(31)24-15-14-23(30)17-26(24)32-28)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-15,17,29-30H,16H2
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n/an/a 5.70E+3n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257478
PNG
(2-(4'-Hydroxyphenyl)-3-[(4''carboxy-3''-hydroxy-1,...)
Show SMILES OC(=O)c1ccc(cc1O)-c1ccc(Cc2c(oc3ccccc3c2=O)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C29H20O6/c30-21-12-9-19(10-13-21)28-24(27(32)23-3-1-2-4-26(23)35-28)15-17-5-7-18(8-6-17)20-11-14-22(29(33)34)25(31)16-20/h1-14,16,30-31H,15H2,(H,33,34)
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n/an/a 5.70E+3n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50257417
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(3''-carboxy-1,1...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(Cc2c(oc3cc(O)ccc3c2=O)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C29H20O6/c30-22-10-8-19(9-11-22)28-25(27(32)24-13-12-23(31)16-26(24)35-28)14-17-4-6-18(7-5-17)20-2-1-3-21(15-20)29(33)34/h1-13,15-16,30-31H,14H2,(H,33,34)
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n/an/a 6.20E+3n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned PTP1B expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257352
PNG
(7-Hydroxy-2-(4'-hydroxyphenyletyl)-3-[(1,1'-biphen...)
Show SMILES Oc1ccc(CCc2oc3cc(O)ccc3c(=O)c2Cc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C30H24O4/c31-24-13-8-20(9-14-24)10-17-28-27(30(33)26-16-15-25(32)19-29(26)34-28)18-21-6-11-23(12-7-21)22-4-2-1-3-5-22/h1-9,11-16,19,31-32H,10,17-18H2
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n/an/a 6.50E+3n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257418
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(3'',4''-dihydro...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C28H20O6/c29-20-8-5-18(6-9-20)28-23(27(33)22-11-10-21(30)15-26(22)34-28)13-16-1-3-17(4-2-16)19-7-12-24(31)25(32)14-19/h1-12,14-15,29-32H,13H2
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n/an/a 7.40E+3n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50257418
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(3'',4''-dihydro...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C28H20O6/c29-20-8-5-18(6-9-20)28-23(27(33)22-11-10-21(30)15-26(22)34-28)13-16-1-3-17(4-2-16)19-7-12-24(31)25(32)14-19/h1-12,14-15,29-32H,13H2
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n/an/a 7.70E+3n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned PTP1B expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257416
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(4''-hydroxy-1,1...)
Show SMILES Oc1ccc(cc1)-c1ccc(Cc2c(oc3cc(O)ccc3c2=O)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C28H20O5/c29-21-9-5-19(6-10-21)18-3-1-17(2-4-18)15-25-27(32)24-14-13-23(31)16-26(24)33-28(25)20-7-11-22(30)12-8-20/h1-14,16,29-31H,15H2
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n/an/a 8.20E+3n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257415
PNG
(6-Hydroxy-2-(4'-hydroxybenzyl)-3-[(1,1'-biphenyl-4...)
Show SMILES Oc1ccc(Cc2oc3ccc(O)cc3c(=O)c2Cc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C29H22O4/c30-23-12-8-20(9-13-23)17-28-25(29(32)26-18-24(31)14-15-27(26)33-28)16-19-6-10-22(11-7-19)21-4-2-1-3-5-21/h1-15,18,30-31H,16-17H2
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n/an/a 8.60E+3n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257417
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(3''-carboxy-1,1...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(Cc2c(oc3cc(O)ccc3c2=O)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C29H20O6/c30-22-10-8-19(9-11-22)28-25(27(32)24-13-12-23(31)16-26(24)35-28)14-17-4-6-18(7-5-17)20-2-1-3-21(15-20)29(33)34/h1-13,15-16,30-31H,14H2,(H,33,34)
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n/an/a 1.14E+4n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257418
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(3'',4''-dihydro...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C28H20O6/c29-20-8-5-18(6-9-20)28-23(27(33)22-11-10-21(30)15-26(22)34-28)13-16-1-3-17(4-2-16)19-7-12-24(31)25(32)14-19/h1-12,14-15,29-32H,13H2
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n/an/a 1.24E+4n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257476
PNG
(2-(4'-Hydroxyphenyl)-3-[(3'',4''-dihydroxy-1,1'-bi...)
Show SMILES Oc1ccc(cc1)-c1oc2ccccc2c(=O)c1Cc1ccc(cc1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C28H20O5/c29-21-12-9-19(10-13-21)28-23(27(32)22-3-1-2-4-26(22)33-28)15-17-5-7-18(8-6-17)20-11-14-24(30)25(31)16-20/h1-14,16,29-31H,15H2
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n/an/a 1.26E+4n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257294
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphenyl-4...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H20O4/c29-22-12-10-21(11-13-22)28-25(27(31)24-15-14-23(30)17-26(24)32-28)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-15,17,29-30H,16H2
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n/an/a 1.39E+4n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257476
PNG
(2-(4'-Hydroxyphenyl)-3-[(3'',4''-dihydroxy-1,1'-bi...)
Show SMILES Oc1ccc(cc1)-c1oc2ccccc2c(=O)c1Cc1ccc(cc1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C28H20O5/c29-21-12-9-19(10-13-21)28-23(27(32)22-3-1-2-4-26(22)33-28)15-17-5-7-18(8-6-17)20-11-14-24(30)25(31)16-20/h1-14,16,29-31H,15H2
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n/an/a 1.43E+4n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50257416
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(4''-hydroxy-1,1...)
Show SMILES Oc1ccc(cc1)-c1ccc(Cc2c(oc3cc(O)ccc3c2=O)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C28H20O5/c29-21-9-5-19(6-10-21)18-3-1-17(2-4-18)15-25-27(32)24-14-13-23(31)16-26(24)33-28(25)20-7-11-22(30)12-8-20/h1-14,16,29-31H,15H2
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned PTP1B expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257415
PNG
(6-Hydroxy-2-(4'-hydroxybenzyl)-3-[(1,1'-biphenyl-4...)
Show SMILES Oc1ccc(Cc2oc3ccc(O)cc3c(=O)c2Cc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C29H22O4/c30-23-12-8-20(9-13-23)17-28-25(29(32)26-18-24(31)14-15-27(26)33-28)16-19-6-10-22(11-7-19)21-4-2-1-3-5-21/h1-15,18,30-31H,16-17H2
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n/an/a 1.72E+4n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257352
PNG
(7-Hydroxy-2-(4'-hydroxyphenyletyl)-3-[(1,1'-biphen...)
Show SMILES Oc1ccc(CCc2oc3cc(O)ccc3c(=O)c2Cc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C30H24O4/c31-24-13-8-20(9-14-24)10-17-28-27(30(33)26-16-15-25(32)19-29(26)34-28)18-21-6-11-23(12-7-21)22-4-2-1-3-5-22/h1-9,11-16,19,31-32H,10,17-18H2
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n/an/a 1.73E+4n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50240530
PNG
(3-(biphenyl-4-ylmethyl)-7-hydroxy-2-(4-hydroxybenz...)
Show SMILES Oc1ccc(Cc2oc3cc(O)ccc3c(=O)c2Cc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C29H22O4/c30-23-12-8-20(9-13-23)17-27-26(29(32)25-15-14-24(31)18-28(25)33-27)16-19-6-10-22(11-7-19)21-4-2-1-3-5-21/h1-15,18,30-31H,16-17H2
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n/an/a 1.75E+4n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257416
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(4''-hydroxy-1,1...)
Show SMILES Oc1ccc(cc1)-c1ccc(Cc2c(oc3cc(O)ccc3c2=O)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C28H20O5/c29-21-9-5-19(6-10-21)18-3-1-17(2-4-18)15-25-27(32)24-14-13-23(31)16-26(24)33-28(25)20-7-11-22(30)12-8-20/h1-14,16,29-31H,15H2
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n/an/a 1.84E+4n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 2.33E+4n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257417
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(3''-carboxy-1,1...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(Cc2c(oc3cc(O)ccc3c2=O)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C29H20O6/c30-22-10-8-19(9-11-22)28-25(27(32)24-13-12-23(31)16-26(24)35-28)14-17-4-6-18(7-5-17)20-2-1-3-21(15-20)29(33)34/h1-13,15-16,30-31H,14H2,(H,33,34)
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n/an/a 2.68E+4n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair