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15 molecules are shown

Wt: 281.0
BDBM14240
Wt: 202.1
BDBM14241
Wt: 216.2
BDBM14242
Wt: 359.9
BDBM14244
Wt: 357.1
BDBM14245
Wt: 373.1
BDBM14250
Wt: 373.1
BDBM14252
Wt: 374.9
BDBM50206998
Wt: 345.9
BDBM50206999
Wt: 383.9
BDBM50207012
Wt: 340.9
BDBM50207018
Wt: 345.9
BDBM50207019
Wt: 342.0
BDBM50207020
Purchase
Wt: 376.0
BDBM50207021
Wt: 358.9
BDBM50207023

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 14240,14241,14242,14244,14245,14250,14252,50206998,50206999,50207012,50207018,50207019,50207020,50207021,50207023   
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 (PTP1B)


(Homo sapiens (human))
BDBM14250
PNG
(4-bromo-3-(carboxymethoxy)-5-(4-hydroxyphenyl)thio...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(O)cc1
Show InChI InChI=1S/C13H9BrO6S/c14-9-10(20-5-8(16)17)12(13(18)19)21-11(9)6-1-3-7(15)4-2-6/h1-4,15H,5H2,(H,16,17)(H,18,19)
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PubMed
300 -8.80n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM14245
PNG
(4-bromo-3-(carboxymethoxy)-5-phenylthiophene-2-car...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C13H9BrO5S/c14-9-10(19-6-8(15)16)12(13(17)18)20-11(9)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)(H,17,18)
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320 -8.85n/an/an/an/an/an/a25



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14252
PNG
(4-bromo-3-(carboxymethoxy)-5-(3-hydroxyphenyl)thio...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(O)c1
Show InChI InChI=1S/C13H9BrO6S/c14-9-10(20-5-8(16)17)12(13(18)19)21-11(9)6-2-1-3-7(15)4-6/h1-4,15H,5H2,(H,16,17)(H,18,19)
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1.00E+3 -8.10n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM14252
PNG
(4-bromo-3-(carboxymethoxy)-5-(3-hydroxyphenyl)thio...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(O)c1
Show InChI InChI=1S/C13H9BrO6S/c14-9-10(20-5-8(16)17)12(13(18)19)21-11(9)6-2-1-3-7(15)4-6/h1-4,15H,5H2,(H,16,17)(H,18,19)
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1.00E+3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Med Chem 50: 4681-98 (2007)


Article DOI: 10.1021/jm0702478
BindingDB Entry DOI: 10.7270/Q2TX3F37
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM14245
PNG
(4-bromo-3-(carboxymethoxy)-5-phenylthiophene-2-car...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C13H9BrO5S/c14-9-10(19-6-8(15)16)12(13(17)18)20-11(9)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)(H,17,18)
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1.30E+3n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN1


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM14245
PNG
(4-bromo-3-(carboxymethoxy)-5-phenylthiophene-2-car...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C13H9BrO5S/c14-9-10(19-6-8(15)16)12(13(17)18)20-11(9)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)(H,17,18)
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1.30E+3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TCPTP


J Med Chem 50: 4681-98 (2007)


Article DOI: 10.1021/jm0702478
BindingDB Entry DOI: 10.7270/Q2TX3F37
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14245
PNG
(4-bromo-3-(carboxymethoxy)-5-phenylthiophene-2-car...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C13H9BrO5S/c14-9-10(19-6-8(15)16)12(13(17)18)20-11(9)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)(H,17,18)
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3.20E+3 -7.42n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM14245
PNG
(4-bromo-3-(carboxymethoxy)-5-phenylthiophene-2-car...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C13H9BrO5S/c14-9-10(19-6-8(15)16)12(13(17)18)20-11(9)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)(H,17,18)
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3.20E+3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Med Chem 50: 4681-98 (2007)


Article DOI: 10.1021/jm0702478
BindingDB Entry DOI: 10.7270/Q2TX3F37
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM14245
PNG
(4-bromo-3-(carboxymethoxy)-5-phenylthiophene-2-car...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C13H9BrO5S/c14-9-10(19-6-8(15)16)12(13(17)18)20-11(9)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)(H,17,18)
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3.20E+3n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN2


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM14244
PNG
(4,5-dibromo-3-(carboxymethoxy)thiophene-2-carboxyl...)
Show SMILES OC(=O)COc1c(Br)c(Br)sc1C(O)=O
Show InChI InChI=1S/C7H4Br2O5S/c8-3-4(14-1-2(10)11)5(7(12)13)15-6(3)9/h1H2,(H,10,11)(H,12,13)
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1.80E+4n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PTP1B assessed as pNPP hydrolysis


Bioorg Med Chem Lett 17: 2913-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.043
BindingDB Entry DOI: 10.7270/Q29S1QPC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14244
PNG
(4,5-dibromo-3-(carboxymethoxy)thiophene-2-carboxyl...)
Show SMILES OC(=O)COc1c(Br)c(Br)sc1C(O)=O
Show InChI InChI=1S/C7H4Br2O5S/c8-3-4(14-1-2(10)11)5(7(12)13)15-6(3)9/h1H2,(H,10,11)(H,12,13)
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1.80E+4 -6.40n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14240
PNG
(4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic a...)
Show SMILES OC(=O)COc1c(Br)csc1C(O)=O
Show InChI InChI=1S/C7H5BrO5S/c8-3-2-14-6(7(11)12)5(3)13-1-4(9)10/h2H,1H2,(H,9,10)(H,11,12)
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1.60E+5 -5.12n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM14245
PNG
(4-bromo-3-(carboxymethoxy)-5-phenylthiophene-2-car...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C13H9BrO5S/c14-9-10(19-6-8(15)16)12(13(17)18)20-11(9)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)(H,17,18)
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2.80E+5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CD45


J Med Chem 50: 4681-98 (2007)


Article DOI: 10.1021/jm0702478
BindingDB Entry DOI: 10.7270/Q2TX3F37
More data for this
Ligand-Target Pair
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM14245
PNG
(4-bromo-3-(carboxymethoxy)-5-phenylthiophene-2-car...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C13H9BrO5S/c14-9-10(19-6-8(15)16)12(13(17)18)20-11(9)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)(H,17,18)
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2.80E+5n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPRC


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (LAR)


(Homo sapiens (Human))
BDBM14245
PNG
(4-bromo-3-(carboxymethoxy)-5-phenylthiophene-2-car...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C13H9BrO5S/c14-9-10(19-6-8(15)16)12(13(17)18)20-11(9)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)(H,17,18)
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>5.00E+5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LAR


J Med Chem 50: 4681-98 (2007)


Article DOI: 10.1021/jm0702478
BindingDB Entry DOI: 10.7270/Q2TX3F37
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (LAR)


(Homo sapiens (Human))
BDBM14245
PNG
(4-bromo-3-(carboxymethoxy)-5-phenylthiophene-2-car...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C13H9BrO5S/c14-9-10(19-6-8(15)16)12(13(17)18)20-11(9)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)(H,17,18)
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>5.00E+5n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPRF


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14242
PNG
(3-(carboxymethoxy)-4-methylthiophene-2-carboxylic ...)
Show SMILES Cc1csc(C(O)=O)c1OCC(O)=O
Show InChI InChI=1S/C8H8O5S/c1-4-3-14-7(8(11)12)6(4)13-2-5(9)10/h3H,2H2,1H3,(H,9,10)(H,11,12)
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>1.00E+6>-4.05n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14241
PNG
(3-(carboxymethoxy)thiophene-2-carboxylic acid | Mo...)
Show SMILES OC(=O)COc1ccsc1C(O)=O
Show InChI InChI=1S/C7H6O5S/c8-5(9)3-12-4-1-2-13-6(4)7(10)11/h1-2H,3H2,(H,8,9)(H,10,11)
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>1.00E+6>-4.05n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50207023
PNG
(2-(4,5-dibromo-2-carbamoylthiophen-3-yloxy)acetic ...)
Show SMILES NC(=O)c1sc(Br)c(Br)c1OCC(O)=O
Show InChI InChI=1S/C7H5Br2NO4S/c8-3-4(14-1-2(11)12)5(7(10)13)15-6(3)9/h1H2,(H2,10,13)(H,11,12)
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n/an/a>2.50E+6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PTP1B assessed as pNPP hydrolysis


Bioorg Med Chem Lett 17: 2913-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.043
BindingDB Entry DOI: 10.7270/Q29S1QPC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50207019
PNG
(2-(4,5-dibromo-2-(hydroxymethyl)thiophen-3-yloxy)a...)
Show SMILES OCc1sc(Br)c(Br)c1OCC(O)=O
Show InChI InChI=1S/C7H6Br2O4S/c8-5-6(13-2-4(11)12)3(1-10)14-7(5)9/h10H,1-2H2,(H,11,12)
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n/an/a>2.50E+6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PTP1B assessed as pNPP hydrolysis


Bioorg Med Chem Lett 17: 2913-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.043
BindingDB Entry DOI: 10.7270/Q29S1QPC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50207020
PNG
(3-(allyloxy)-4,5-dibromothiophene-2-carboxylic aci...)
Show SMILES OC(=O)c1sc(Br)c(Br)c1OCC=C
Show InChI InChI=1S/C8H6Br2O3S/c1-2-3-13-5-4(9)7(10)14-6(5)8(11)12/h2H,1,3H2,(H,11,12)
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n/an/a>2.50E+6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PTP1B assessed as pNPP hydrolysis


Bioorg Med Chem Lett 17: 2913-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.043
BindingDB Entry DOI: 10.7270/Q29S1QPC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50207021
PNG
(4,5-dibromo-3-(2,3-dihydroxypropoxy)thiophene-2-ca...)
Show SMILES OCC(O)COc1c(Br)c(Br)sc1C(O)=O
Show InChI InChI=1S/C8H8Br2O5S/c9-4-5(15-2-3(12)1-11)6(8(13)14)16-7(4)10/h3,11-12H,1-2H2,(H,13,14)
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n/an/a>2.50E+6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PTP1B assessed as pNPP hydrolysis


Bioorg Med Chem Lett 17: 2913-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.043
BindingDB Entry DOI: 10.7270/Q29S1QPC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50207018
PNG
(4,5-dibromo-3-(cyanomethoxy)thiophene-2-carboxylic...)
Show SMILES OC(=O)c1sc(Br)c(Br)c1OCC#N
Show InChI InChI=1S/C7H3Br2NO3S/c8-3-4(13-2-1-10)5(7(11)12)14-6(3)9/h2H2,(H,11,12)
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n/an/a>2.50E+6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PTP1B assessed as pNPP hydrolysis


Bioorg Med Chem Lett 17: 2913-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.043
BindingDB Entry DOI: 10.7270/Q29S1QPC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50206998
PNG
(4,5-dibromo-3-(2-(hydroxyamino)-2-oxoethoxy)thioph...)
Show SMILES ONC(=O)COc1c(Br)c(Br)sc1C(O)=O
Show InChI InChI=1S/C7H5Br2NO5S/c8-3-4(15-1-2(11)10-14)5(7(12)13)16-6(3)9/h14H,1H2,(H,10,11)(H,12,13)
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n/an/a>2.50E+6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PTP1B assessed as pNPP hydrolysis


Bioorg Med Chem Lett 17: 2913-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.043
BindingDB Entry DOI: 10.7270/Q29S1QPC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50206999
PNG
(4,5-dibromo-3-(2-hydroxyethoxy)thiophene-2-carboxy...)
Show SMILES OCCOc1c(Br)c(Br)sc1C(O)=O
Show InChI InChI=1S/C7H6Br2O4S/c8-3-4(13-2-1-10)5(7(11)12)14-6(3)9/h10H,1-2H2,(H,11,12)
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n/an/a>2.50E+6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PTP1B assessed as pNPP hydrolysis


Bioorg Med Chem Lett 17: 2913-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.043
BindingDB Entry DOI: 10.7270/Q29S1QPC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM14244
PNG
(4,5-dibromo-3-(carboxymethoxy)thiophene-2-carboxyl...)
Show SMILES OC(=O)COc1c(Br)c(Br)sc1C(O)=O
Show InChI InChI=1S/C7H4Br2O5S/c8-3-4(14-1-2(10)11)5(7(12)13)15-6(3)9/h1H2,(H,10,11)(H,12,13)
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n/an/a 2.90E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PTP1B assessed as pNPP hydrolysis


Bioorg Med Chem Lett 17: 2913-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.043
BindingDB Entry DOI: 10.7270/Q29S1QPC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50207012
PNG
(4,5-dibromo-3-(2,2,2-trifluoroethoxy)thiophene-2-c...)
Show SMILES OC(=O)c1sc(Br)c(Br)c1OCC(F)(F)F
Show InChI InChI=1S/C7H3Br2F3O3S/c8-2-3(15-1-7(10,11)12)4(6(13)14)16-5(2)9/h1H2,(H,13,14)
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PubMed
n/an/a>2.50E+6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PTP1B assessed as pNPP hydrolysis


Bioorg Med Chem Lett 17: 2913-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.043
BindingDB Entry DOI: 10.7270/Q29S1QPC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)