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31 similar compounds to monomer 50267098

Compile data set for download or QSAR
Wt: 518.5
BDBM44054
Wt: 506.5
BDBM50267068
Wt: 506.5
BDBM50267069
Wt: 520.5
BDBM50267070
Wt: 430.4
BDBM50267140
Wt: 460.5
BDBM50267141
Wt: 460.5
BDBM50267142
Wt: 474.4
BDBM50267143
Wt: 464.5
BDBM50267099
Wt: 464.5
BDBM50267100
Wt: 430.4
BDBM50267101
Wt: 564.6
BDBM50341993
Wt: 588.5
BDBM50379825
Wt: 550.6
BDBM50379826
Wt: 536.5
BDBM50379827
Displayed 1 to 15 (of 31 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 58 hits for monomerid = 44054,50267068,50267069,50267070,50267140,50267141,50267142,50267143,50267099,50267100,50267101,50341993,50379825,50379826,50379827   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50379825
PNG
(CHEMBL2011701)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C32H23F3N2O4S/c33-32(34,35)25-12-14-26(15-13-25)36-31-37(19-22-6-10-24(11-7-22)30(39)40)29(38)28(42-31)18-21-8-16-27(17-9-21)41-20-23-4-2-1-3-5-23/h1-18H,19-20H2,(H,39,40)/b28-18-,36-31-
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1.20E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Line-Weav...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50379825
PNG
(CHEMBL2011701)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C32H23F3N2O4S/c33-32(34,35)25-12-14-26(15-13-25)36-31-37(19-22-6-10-24(11-7-22)30(39)40)29(38)28(42-31)18-21-8-16-27(17-9-21)41-20-23-4-2-1-3-5-23/h1-18H,19-20H2,(H,39,40)/b28-18-,36-31-
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant TCPTP using p-nitrophenylphosphate as substrate by Line-Weaver Burk plot


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM44054
PNG
(4-[(2-methoxy-4-{[3-(2-methoxyethyl)-4-oxo-2-(phen...)
Show SMILES COCCN1C(=O)\C(S\C1=N\c1ccccc1)=C\c1ccc(OCc2ccc(cc2)C(O)=O)c(OC)c1
Show InChI InChI=1S/C28H26N2O6S/c1-34-15-14-30-26(31)25(37-28(30)29-22-6-4-3-5-7-22)17-20-10-13-23(24(16-20)35-2)36-18-19-8-11-21(12-9-19)27(32)33/h3-13,16-17H,14-15,18H2,1-2H3,(H,32,33)/b25-17-,29-28+
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n/an/an/an/a 4.49E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TX3CSC
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM44054
PNG
(4-[(2-methoxy-4-{[3-(2-methoxyethyl)-4-oxo-2-(phen...)
Show SMILES COCCN1C(=O)\C(S\C1=N\c1ccccc1)=C\c1ccc(OCc2ccc(cc2)C(O)=O)c(OC)c1
Show InChI InChI=1S/C28H26N2O6S/c1-34-15-14-30-26(31)25(37-28(30)29-22-6-4-3-5-7-22)17-20-10-13-23(24(16-20)35-2)36-18-19-8-11-21(12-9-19)27(32)33/h3-13,16-17H,14-15,18H2,1-2H3,(H,32,33)/b25-17-,29-28+
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n/an/an/an/a 2.73E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50267068
PNG
(4-{[4-Oxo-5-(3-phenoxybenzylidene)-2-phenyliminoth...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc(Oc4ccccc4)c3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C30H22N2O4S/c33-28-27(19-22-8-7-13-26(18-22)36-25-11-5-2-6-12-25)37-30(31-24-9-3-1-4-10-24)32(28)20-21-14-16-23(17-15-21)29(34)35/h1-19H,20H2,(H,34,35)/b27-19-,31-30-
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human PTP1B


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50267069
PNG
(4-{[4-Oxo-5-(4-phenoxybenzylidene)-2-phenyliminoth...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(Oc4ccccc4)cc3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C30H22N2O4S/c33-28-27(19-21-13-17-26(18-14-21)36-25-9-5-2-6-10-25)37-30(31-24-7-3-1-4-8-24)32(28)20-22-11-15-23(16-12-22)29(34)35/h1-19H,20H2,(H,34,35)/b27-19-,31-30-
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human PTP1B


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50267070
PNG
(4-{[5-(3-Benzyloxybenzylidene)-4-oxo-2-phenylimino...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc(OCc4ccccc4)c3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C31H24N2O4S/c34-29-28(19-24-10-7-13-27(18-24)37-21-23-8-3-1-4-9-23)38-31(32-26-11-5-2-6-12-26)33(29)20-22-14-16-25(17-15-22)30(35)36/h1-19H,20-21H2,(H,35,36)/b28-19-,32-31-
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human PTP1B


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50267099
PNG
(4-[(5-Naphthalen-1-ylmethylene-4-oxo-2-phenylimino...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc4ccccc34)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C28H20N2O3S/c31-26-25(17-22-9-6-8-20-7-4-5-12-24(20)22)34-28(29-23-10-2-1-3-11-23)30(26)18-19-13-15-21(16-14-19)27(32)33/h1-17H,18H2,(H,32,33)/b25-17-,29-28-
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human PTP1B


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50267100
PNG
(4-[(5-Naphthalen-2-ylmethylene-4-oxo-2-phenylimino...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc4ccccc4c3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C28H20N2O3S/c31-26-25(17-20-12-13-21-6-4-5-7-23(21)16-20)34-28(29-24-8-2-1-3-9-24)30(26)18-19-10-14-22(15-11-19)27(32)33/h1-17H,18H2,(H,32,33)/b25-17-,29-28-
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human PTP1B


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50267101
PNG
(4-{[5-(3-Hydroxybenzylidene)-4-oxo-2-phenyliminoth...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc(O)c3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C24H18N2O4S/c27-20-8-4-5-17(13-20)14-21-22(28)26(15-16-9-11-18(12-10-16)23(29)30)24(31-21)25-19-6-2-1-3-7-19/h1-14,27H,15H2,(H,29,30)/b21-14-,25-24-
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n/an/a 3.54E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human PTP1B


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50267140
PNG
(4-[5-(4-Hydroxybenzylidene)-4-oxo-2-phenyliminothi...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(O)cc3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C24H18N2O4S/c27-20-12-8-16(9-13-20)14-21-22(28)26(15-17-6-10-18(11-7-17)23(29)30)24(31-21)25-19-4-2-1-3-5-19/h1-14,27H,15H2,(H,29,30)/b21-14-,25-24-
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n/an/a 3.01E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human PTP1B


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50267141
PNG
(4-[5-(3-Hydroxy-4-methoxybenzylidene)-4-oxo-2-phen...)
Show SMILES COc1ccc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1O
Show InChI InChI=1S/C25H20N2O5S/c1-32-21-12-9-17(13-20(21)28)14-22-23(29)27(15-16-7-10-18(11-8-16)24(30)31)25(33-22)26-19-5-3-2-4-6-19/h2-14,28H,15H2,1H3,(H,30,31)/b22-14-,26-25-
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n/an/a 3.21E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human PTP1B


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50267142
PNG
(4-[5-(4-Hydroxy-3-methoxybenzylidene)-4-oxo-2-phen...)
Show SMILES COc1cc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1O
Show InChI InChI=1S/C25H20N2O5S/c1-32-21-13-17(9-12-20(21)28)14-22-23(29)27(15-16-7-10-18(11-8-16)24(30)31)25(33-22)26-19-5-3-2-4-6-19/h2-14,28H,15H2,1H3,(H,30,31)/b22-14-,26-25-
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n/an/a 3.37E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human PTP1B


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50267143
PNG
(4-[5-(3-Carboxy-4-hydroxybenzylidene)-4-oxo-2-phen...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(O)c(c3)C(O)=O)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C25H18N2O6S/c28-20-11-8-16(12-19(20)24(32)33)13-21-22(29)27(14-15-6-9-17(10-7-15)23(30)31)25(34-21)26-18-4-2-1-3-5-18/h1-13,28H,14H2,(H,30,31)(H,32,33)/b21-13-,26-25-
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n/an/a 1.95E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human PTP1B


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50267068
PNG
(4-{[4-Oxo-5-(3-phenoxybenzylidene)-2-phenyliminoth...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc(Oc4ccccc4)c3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C30H22N2O4S/c33-28-27(19-22-8-7-13-26(18-22)36-25-11-5-2-6-12-25)37-30(31-24-9-3-1-4-10-24)32(28)20-21-14-16-23(17-15-21)29(34)35/h1-19H,20H2,(H,34,35)/b27-19-,31-30-
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n/an/a 5.40E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LMW PTP1B IF1 isoform


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50267069
PNG
(4-{[4-Oxo-5-(4-phenoxybenzylidene)-2-phenyliminoth...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(Oc4ccccc4)cc3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C30H22N2O4S/c33-28-27(19-21-13-17-26(18-14-21)36-25-9-5-2-6-10-25)37-30(31-24-7-3-1-4-8-24)32(28)20-22-11-15-23(16-12-22)29(34)35/h1-19H,20H2,(H,34,35)/b27-19-,31-30-
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LMW PTP1B IF1 isoform


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50267070
PNG
(4-{[5-(3-Benzyloxybenzylidene)-4-oxo-2-phenylimino...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc(OCc4ccccc4)c3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C31H24N2O4S/c34-29-28(19-24-10-7-13-27(18-24)37-21-23-8-3-1-4-9-23)38-31(32-26-11-5-2-6-12-26)33(29)20-22-14-16-25(17-15-22)30(35)36/h1-19H,20-21H2,(H,35,36)/b28-19-,32-31-
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LMW PTP1B IF1 isoform


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50267099
PNG
(4-[(5-Naphthalen-1-ylmethylene-4-oxo-2-phenylimino...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc4ccccc34)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C28H20N2O3S/c31-26-25(17-22-9-6-8-20-7-4-5-12-24(20)22)34-28(29-23-10-2-1-3-11-23)30(26)18-19-13-15-21(16-14-19)27(32)33/h1-17H,18H2,(H,32,33)/b25-17-,29-28-
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n/an/a 1.61E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LMW PTP1B IF1 isoform


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50267100
PNG
(4-[(5-Naphthalen-2-ylmethylene-4-oxo-2-phenylimino...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc4ccccc4c3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C28H20N2O3S/c31-26-25(17-20-12-13-21-6-4-5-7-23(21)16-20)34-28(29-24-8-2-1-3-9-24)30(26)18-19-10-14-22(15-11-19)27(32)33/h1-17H,18H2,(H,32,33)/b25-17-,29-28-
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LMW PTP1B IF1 isoform


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50267101
PNG
(4-{[5-(3-Hydroxybenzylidene)-4-oxo-2-phenyliminoth...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc(O)c3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C24H18N2O4S/c27-20-8-4-5-17(13-20)14-21-22(28)26(15-16-9-11-18(12-10-16)23(29)30)24(31-21)25-19-6-2-1-3-7-19/h1-14,27H,15H2,(H,29,30)/b21-14-,25-24-
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n/an/a 6.25E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LMW PTP1B IF1 isoform


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50267140
PNG
(4-[5-(4-Hydroxybenzylidene)-4-oxo-2-phenyliminothi...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(O)cc3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C24H18N2O4S/c27-20-12-8-16(9-13-20)14-21-22(28)26(15-17-6-10-18(11-7-17)23(29)30)24(31-21)25-19-4-2-1-3-5-19/h1-14,27H,15H2,(H,29,30)/b21-14-,25-24-
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n/an/a 4.77E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LMW PTP1B IF1 isoform


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50267141
PNG
(4-[5-(3-Hydroxy-4-methoxybenzylidene)-4-oxo-2-phen...)
Show SMILES COc1ccc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1O
Show InChI InChI=1S/C25H20N2O5S/c1-32-21-12-9-17(13-20(21)28)14-22-23(29)27(15-16-7-10-18(11-8-16)24(30)31)25(33-22)26-19-5-3-2-4-6-19/h2-14,28H,15H2,1H3,(H,30,31)/b22-14-,26-25-
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n/an/a 8.71E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LMW PTP1B IF1 isoform


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50267142
PNG
(4-[5-(4-Hydroxy-3-methoxybenzylidene)-4-oxo-2-phen...)
Show SMILES COc1cc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1O
Show InChI InChI=1S/C25H20N2O5S/c1-32-21-13-17(9-12-20(21)28)14-22-23(29)27(15-16-7-10-18(11-8-16)24(30)31)25(33-22)26-19-5-3-2-4-6-19/h2-14,28H,15H2,1H3,(H,30,31)/b22-14-,26-25-
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n/an/a 7.12E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LMW PTP1B IF1 isoform


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50267143
PNG
(4-[5-(3-Carboxy-4-hydroxybenzylidene)-4-oxo-2-phen...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(O)c(c3)C(O)=O)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C25H18N2O6S/c28-20-11-8-16(12-19(20)24(32)33)13-21-22(29)27(14-15-6-9-17(10-7-15)23(30)31)25(34-21)26-18-4-2-1-3-5-18/h1-13,28H,14H2,(H,30,31)(H,32,33)/b21-13-,26-25-
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n/an/a 4.31E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LMW PTP1B IF1 isoform


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50267068
PNG
(4-{[4-Oxo-5-(3-phenoxybenzylidene)-2-phenyliminoth...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc(Oc4ccccc4)c3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C30H22N2O4S/c33-28-27(19-22-8-7-13-26(18-22)36-25-11-5-2-6-12-25)37-30(31-24-9-3-1-4-10-24)32(28)20-21-14-16-23(17-15-21)29(34)35/h1-19H,20H2,(H,34,35)/b27-19-,31-30-
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n/an/a 2.61E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LMW PTP1B IF1 isoform


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50267069
PNG
(4-{[4-Oxo-5-(4-phenoxybenzylidene)-2-phenyliminoth...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(Oc4ccccc4)cc3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C30H22N2O4S/c33-28-27(19-21-13-17-26(18-14-21)36-25-9-5-2-6-10-25)37-30(31-24-7-3-1-4-8-24)32(28)20-22-11-15-23(16-12-22)29(34)35/h1-19H,20H2,(H,34,35)/b27-19-,31-30-
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n/an/a 8.20E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LMW PTP1B IF1 isoform


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50267070
PNG
(4-{[5-(3-Benzyloxybenzylidene)-4-oxo-2-phenylimino...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc(OCc4ccccc4)c3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C31H24N2O4S/c34-29-28(19-24-10-7-13-27(18-24)37-21-23-8-3-1-4-9-23)38-31(32-26-11-5-2-6-12-26)33(29)20-22-14-16-25(17-15-22)30(35)36/h1-19H,20-21H2,(H,35,36)/b28-19-,32-31-
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n/an/a 1.21E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LMW PTP1B IF1 isoform


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50267099
PNG
(4-[(5-Naphthalen-1-ylmethylene-4-oxo-2-phenylimino...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc4ccccc34)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C28H20N2O3S/c31-26-25(17-22-9-6-8-20-7-4-5-12-24(20)22)34-28(29-23-10-2-1-3-11-23)30(26)18-19-13-15-21(16-14-19)27(32)33/h1-17H,18H2,(H,32,33)/b25-17-,29-28-
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n/an/a 1.00E+6n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LMW PTP1B IF1 isoform


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50267100
PNG
(4-[(5-Naphthalen-2-ylmethylene-4-oxo-2-phenylimino...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc4ccccc4c3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C28H20N2O3S/c31-26-25(17-20-12-13-21-6-4-5-7-23(21)16-20)34-28(29-24-8-2-1-3-9-24)30(26)18-19-10-14-22(15-11-19)27(32)33/h1-17H,18H2,(H,32,33)/b25-17-,29-28-
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n/an/a 1.38E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LMW PTP1B IF1 isoform


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50267101
PNG
(4-{[5-(3-Hydroxybenzylidene)-4-oxo-2-phenyliminoth...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc(O)c3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C24H18N2O4S/c27-20-8-4-5-17(13-20)14-21-22(28)26(15-16-9-11-18(12-10-16)23(29)30)24(31-21)25-19-6-2-1-3-7-19/h1-14,27H,15H2,(H,29,30)/b21-14-,25-24-
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n/an/a>2.50E+5n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LMW PTP1B IF1 isoform


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50267140
PNG
(4-[5-(4-Hydroxybenzylidene)-4-oxo-2-phenyliminothi...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(O)cc3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C24H18N2O4S/c27-20-12-8-16(9-13-20)14-21-22(28)26(15-17-6-10-18(11-7-17)23(29)30)24(31-21)25-19-4-2-1-3-5-19/h1-14,27H,15H2,(H,29,30)/b21-14-,25-24-
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n/an/a 2.70E+5n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LMW PTP1B IF1 isoform


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50267141
PNG
(4-[5-(3-Hydroxy-4-methoxybenzylidene)-4-oxo-2-phen...)
Show SMILES COc1ccc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1O
Show InChI InChI=1S/C25H20N2O5S/c1-32-21-12-9-17(13-20(21)28)14-22-23(29)27(15-16-7-10-18(11-8-16)24(30)31)25(33-22)26-19-5-3-2-4-6-19/h2-14,28H,15H2,1H3,(H,30,31)/b22-14-,26-25-
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n/an/a>2.50E+5n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LMW PTP1B IF1 isoform


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50267142
PNG
(4-[5-(4-Hydroxy-3-methoxybenzylidene)-4-oxo-2-phen...)
Show SMILES COc1cc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1O
Show InChI InChI=1S/C25H20N2O5S/c1-32-21-13-17(9-12-20(21)28)14-22-23(29)27(15-16-7-10-18(11-8-16)24(30)31)25(33-22)26-19-5-3-2-4-6-19/h2-14,28H,15H2,1H3,(H,30,31)/b22-14-,26-25-
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n/an/a>2.50E+5n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LMW PTP1B IF1 isoform


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50267143
PNG
(4-[5-(3-Carboxy-4-hydroxybenzylidene)-4-oxo-2-phen...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(O)c(c3)C(O)=O)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C25H18N2O6S/c28-20-11-8-16(12-19(20)24(32)33)13-21-22(29)27(14-15-6-9-17(10-7-15)23(30)31)25(34-21)26-18-4-2-1-3-5-18/h1-13,28H,14H2,(H,30,31)(H,32,33)/b21-13-,26-25-
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n/an/a 3.89E+5n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LMW PTP1B IF1 isoform


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Saccharomyces cerevisiae)
BDBM50267068
PNG
(4-{[4-Oxo-5-(3-phenoxybenzylidene)-2-phenyliminoth...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc(Oc4ccccc4)c3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C30H22N2O4S/c33-28-27(19-22-8-7-13-26(18-22)36-25-11-5-2-6-12-25)37-30(31-24-9-3-1-4-10-24)32(28)20-21-14-16-23(17-15-21)29(34)35/h1-19H,20H2,(H,34,35)/b27-19-,31-30-
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n/an/a 1.11E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae Ltp1


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Saccharomyces cerevisiae)
BDBM50267069
PNG
(4-{[4-Oxo-5-(4-phenoxybenzylidene)-2-phenyliminoth...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(Oc4ccccc4)cc3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C30H22N2O4S/c33-28-27(19-21-13-17-26(18-14-21)36-25-9-5-2-6-10-25)37-30(31-24-7-3-1-4-8-24)32(28)20-22-11-15-23(16-12-22)29(34)35/h1-19H,20H2,(H,34,35)/b27-19-,31-30-
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n/an/a 6.30E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae Ltp1


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Saccharomyces cerevisiae)
BDBM50267070
PNG
(4-{[5-(3-Benzyloxybenzylidene)-4-oxo-2-phenylimino...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc(OCc4ccccc4)c3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C31H24N2O4S/c34-29-28(19-24-10-7-13-27(18-24)37-21-23-8-3-1-4-9-23)38-31(32-26-11-5-2-6-12-26)33(29)20-22-14-16-25(17-15-22)30(35)36/h1-19H,20-21H2,(H,35,36)/b28-19-,32-31-
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n/an/a 1.29E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae Ltp1


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Saccharomyces cerevisiae)
BDBM50267099
PNG
(4-[(5-Naphthalen-1-ylmethylene-4-oxo-2-phenylimino...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc4ccccc34)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C28H20N2O3S/c31-26-25(17-22-9-6-8-20-7-4-5-12-24(20)22)34-28(29-23-10-2-1-3-11-23)30(26)18-19-13-15-21(16-14-19)27(32)33/h1-17H,18H2,(H,32,33)/b25-17-,29-28-
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae Ltp1


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Saccharomyces cerevisiae)
BDBM50267100
PNG
(4-[(5-Naphthalen-2-ylmethylene-4-oxo-2-phenylimino...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc4ccccc4c3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C28H20N2O3S/c31-26-25(17-20-12-13-21-6-4-5-7-23(21)16-20)34-28(29-24-8-2-1-3-9-24)30(26)18-19-10-14-22(15-11-19)27(32)33/h1-17H,18H2,(H,32,33)/b25-17-,29-28-
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n/an/a 2.76E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae Ltp1


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Saccharomyces cerevisiae)
BDBM50267101
PNG
(4-{[5-(3-Hydroxybenzylidene)-4-oxo-2-phenyliminoth...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc(O)c3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C24H18N2O4S/c27-20-8-4-5-17(13-20)14-21-22(28)26(15-16-9-11-18(12-10-16)23(29)30)24(31-21)25-19-6-2-1-3-7-19/h1-14,27H,15H2,(H,29,30)/b21-14-,25-24-
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n/an/a>2.50E+5n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae Ltp1


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Saccharomyces cerevisiae)
BDBM50267140
PNG
(4-[5-(4-Hydroxybenzylidene)-4-oxo-2-phenyliminothi...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(O)cc3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C24H18N2O4S/c27-20-12-8-16(9-13-20)14-21-22(28)26(15-17-6-10-18(11-7-17)23(29)30)24(31-21)25-19-4-2-1-3-5-19/h1-14,27H,15H2,(H,29,30)/b21-14-,25-24-
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n/an/a 1.95E+5n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae Ltp1


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Saccharomyces cerevisiae)
BDBM50267141
PNG
(4-[5-(3-Hydroxy-4-methoxybenzylidene)-4-oxo-2-phen...)
Show SMILES COc1ccc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1O
Show InChI InChI=1S/C25H20N2O5S/c1-32-21-12-9-17(13-20(21)28)14-22-23(29)27(15-16-7-10-18(11-8-16)24(30)31)25(33-22)26-19-5-3-2-4-6-19/h2-14,28H,15H2,1H3,(H,30,31)/b22-14-,26-25-
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n/an/a>2.50E+5n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae Ltp1


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Saccharomyces cerevisiae)
BDBM50267142
PNG
(4-[5-(4-Hydroxy-3-methoxybenzylidene)-4-oxo-2-phen...)
Show SMILES COc1cc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1O
Show InChI InChI=1S/C25H20N2O5S/c1-32-21-13-17(9-12-20(21)28)14-22-23(29)27(15-16-7-10-18(11-8-16)24(30)31)25(33-22)26-19-5-3-2-4-6-19/h2-14,28H,15H2,1H3,(H,30,31)/b22-14-,26-25-
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n/an/a>2.50E+5n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae Ltp1


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Saccharomyces cerevisiae)
BDBM50267143
PNG
(4-[5-(3-Carboxy-4-hydroxybenzylidene)-4-oxo-2-phen...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(O)c(c3)C(O)=O)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C25H18N2O6S/c28-20-11-8-16(12-19(20)24(32)33)13-21-22(29)27(14-15-6-9-17(10-7-15)23(30)31)25(34-21)26-18-4-2-1-3-5-18/h1-13,28H,14H2,(H,30,31)(H,32,33)/b21-13-,26-25-
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n/an/a 3.45E+5n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae Ltp1


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50341993
PNG
(4-((3-((3-(4-carboxybenzyl)-4-oxo-2-(phenylimino)t...)
Show SMILES OC(=O)c1ccc(COc2cccc(\C=C3/S\C(=N/c4ccccc4)N(Cc4ccc(cc4)C(O)=O)C3=O)c2)cc1
Show InChI InChI=1S/C32H24N2O6S/c35-29-28(18-23-5-4-8-27(17-23)40-20-22-11-15-25(16-12-22)31(38)39)41-32(33-26-6-2-1-3-7-26)34(29)19-21-9-13-24(14-10-21)30(36)37/h1-18H,19-20H2,(H,36,37)(H,38,39)/b28-18-,33-32-
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n/an/a 220n/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem 19: 2145-55 (2011)


Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50379825
PNG
(CHEMBL2011701)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C32H23F3N2O4S/c33-32(34,35)25-12-14-26(15-13-25)36-31-37(19-22-6-10-24(11-7-22)30(39)40)29(38)28(42-31)18-21-8-16-27(17-9-21)41-20-23-4-2-1-3-5-23/h1-18H,19-20H2,(H,39,40)/b28-18-,36-31-
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n/an/a 2.54E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant LMW-PTP IF2 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50379826
PNG
(CHEMBL2011705)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2cccc(OCc3ccccc3)c2)C(=O)N1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C32H26N2O5S/c1-38-27-16-14-26(15-17-27)33-32-34(20-22-10-12-25(13-11-22)31(36)37)30(35)29(40-32)19-24-8-5-9-28(18-24)39-21-23-6-3-2-4-7-23/h2-19H,20-21H2,1H3,(H,36,37)/b29-19-,33-32-
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n/an/a 1.75E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant LMW-PTP IF2 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50379827
PNG
(CHEMBL2011704)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(Oc3ccccc3)cc2)C(=O)N1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H24N2O5S/c1-37-25-17-13-24(14-18-25)32-31-33(20-22-7-11-23(12-8-22)30(35)36)29(34)28(39-31)19-21-9-15-27(16-10-21)38-26-5-3-2-4-6-26/h2-19H,20H2,1H3,(H,35,36)/b28-19-,32-31-
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant LMW-PTP IF2 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50379826
PNG
(CHEMBL2011705)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2cccc(OCc3ccccc3)c2)C(=O)N1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C32H26N2O5S/c1-38-27-16-14-26(15-17-27)33-32-34(20-22-10-12-25(13-11-22)31(36)37)30(35)29(40-32)19-24-8-5-9-28(18-24)39-21-23-6-3-2-4-7-23/h2-19H,20-21H2,1H3,(H,36,37)/b29-19-,33-32-
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n/an/a 9.60E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50379827
PNG
(CHEMBL2011704)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(Oc3ccccc3)cc2)C(=O)N1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H24N2O5S/c1-37-25-17-13-24(14-18-25)32-31-33(20-22-7-11-23(12-8-22)30(35)36)29(34)28(39-31)19-21-9-15-27(16-10-21)38-26-5-3-2-4-6-26/h2-19H,20H2,1H3,(H,35,36)/b28-19-,32-31-
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n/an/a 1.12E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
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