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19 similar compounds to monomer 14261

Compile data set for download or QSAR
Wt: 357.1
BDBM14245
Wt: 407.2
BDBM14248
Wt: 373.1
BDBM14250
Wt: 387.2
BDBM14251
Wt: 373.1
BDBM14252
Wt: 372.1
BDBM14254
Wt: 400.2
BDBM14255
Wt: 414.2
BDBM14256
Wt: 476.2
BDBM14259
Wt: 476.2
BDBM14260
Wt: 580.3
BDBM14262
Wt: 594.3
BDBM14263
Wt: 430.2
BDBM14264
Wt: 457.2
BDBM14265
Wt: 510.4
BDBM14266
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 14245,14248,14250,14251,14252,14254,14255,14256,14259,14260,14262,14263,14264,14265,14266   
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))
BDBM14262
PNG
(4-bromo-3-(carboxymethoxy)-5-(4-{[4-(trifluorometh...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H13BrF3NO7S2/c21-15-16(32-9-14(26)27)18(19(28)29)33-17(15)10-1-5-12(6-2-10)25-34(30,31)13-7-3-11(4-8-13)20(22,23)24/h1-8,25H,9H2,(H,26,27)(H,28,29)
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200 -9.13n/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))
BDBM14266
PNG
(4-bromo-3-(carboxymethoxy)-5-{4-[(3,3,5,5-tetramet...)
Show SMILES CC1(C)CC(CC(C)(C)C1)Nc1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Show InChI InChI=1S/C23H28BrNO5S/c1-22(2)9-15(10-23(3,4)12-22)25-14-7-5-13(6-8-14)19-17(24)18(30-11-16(26)27)20(31-19)21(28)29/h5-8,15,25H,9-12H2,1-4H3,(H,26,27)(H,28,29)
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250 -9.00n/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
3D
3D Structure (docked)
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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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))
BDBM14265
PNG
(4-bromo-3-(carboxymethoxy)-5-{4-[(propan-2-ylcarba...)
Show SMILES CC(C)NC(=O)Nc1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Show InChI InChI=1S/C17H17BrN2O6S/c1-8(2)19-17(25)20-10-5-3-9(4-6-10)14-12(18)13(26-7-11(21)22)15(27-14)16(23)24/h3-6,8H,7H2,1-2H3,(H,21,22)(H,23,24)(H2,19,20,25)
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360 -8.78n/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
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (Human))
BDBM14256
PNG
(4-bromo-3-(carboxymethoxy)-5-(4-acetamidophenyl)th...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Show InChI InChI=1S/C15H12BrNO6S/c1-7(18)17-9-4-2-8(3-5-9)13-11(16)12(23-6-10(19)20)14(24-13)15(21)22/h2-5H,6H2,1H3,(H,17,18)(H,19,20)(H,21,22)
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500 -8.59n/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
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (Human))
BDBM14259
PNG
(5-(4-benzamidophenyl)-4-bromo-3-(carboxymethoxy)th...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C20H14BrNO6S/c21-15-16(28-10-14(23)24)18(20(26)27)29-17(15)11-6-8-13(9-7-11)22-19(25)12-4-2-1-3-5-12/h1-9H,10H2,(H,22,25)(H,23,24)(H,26,27)
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600 -8.48n/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))
BDBM14264
PNG
(4-bromo-3-(carboxymethoxy)-5-{4-[(methoxycarbonyl)...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Show InChI InChI=1S/C15H12BrNO7S/c1-23-15(22)17-8-4-2-7(3-5-8)12-10(16)11(24-6-9(18)19)13(25-12)14(20)21/h2-5H,6H2,1H3,(H,17,22)(H,18,19)(H,20,21)
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1.00E+3 -8.18n/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
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM14255
PNG
(4-bromo-3-(carboxymethoxy)-5-[4-(dimethylamino)phe...)
Show SMILES CN(C)c1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Show InChI InChI=1S/C15H14BrNO5S/c1-17(2)9-5-3-8(4-6-9)13-11(16)12(22-7-10(18)19)14(23-13)15(20)21/h3-6H,7H2,1-2H3,(H,18,19)(H,20,21)
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1.00E+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 (docked)
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)
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM14255
PNG
(4-bromo-3-(carboxymethoxy)-5-[4-(dimethylamino)phe...)
Show SMILES CN(C)c1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Show InChI InChI=1S/C15H14BrNO5S/c1-17(2)9-5-3-8(4-6-9)13-11(16)12(22-7-10(18)19)14(23-13)15(20)21/h3-6H,7H2,1-2H3,(H,18,19)(H,20,21)
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1.00E+3 -8.18n/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))
BDBM14263
PNG
(4-bromo-3-(carboxymethoxy)-5-(4-{methyl[4-(trifluo...)
Show SMILES CN(c1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br)S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H15BrF3NO7S2/c1-26(35(31,32)14-8-4-12(5-9-14)21(23,24)25)13-6-2-11(3-7-13)18-16(22)17(33-10-15(27)28)19(34-18)20(29)30/h2-9H,10H2,1H3,(H,27,28)(H,29,30)
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1.20E+3 -8.07n/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
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


(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)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (Human))
BDBM14254
PNG
(5-(4-aminophenyl)-4-bromo-3-(carboxymethoxy)thioph...)
Show SMILES Nc1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Show InChI InChI=1S/C13H10BrNO5S/c14-9-10(20-5-8(16)17)12(13(18)19)21-11(9)6-1-3-7(15)4-2-6/h1-4H,5,15H2,(H,16,17)(H,18,19)
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1.60E+3 -7.90n/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
3D
3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM14255
PNG
(4-bromo-3-(carboxymethoxy)-5-[4-(dimethylamino)phe...)
Show SMILES CN(C)c1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Show InChI InChI=1S/C15H14BrNO5S/c1-17(2)9-5-3-8(4-6-9)13-11(16)12(22-7-10(18)19)14(23-13)15(20)21/h3-6H,7H2,1-2H3,(H,18,19)(H,20,21)
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1.60E+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 (PTP1B)


(Homo sapiens (Human))
BDBM14260
PNG
(4-bromo-3-(carboxymethoxy)-5-[4-(phenylcarbamoyl)p...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(cc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C20H14BrNO6S/c21-15-16(28-10-14(23)24)18(20(26)27)29-17(15)11-6-8-12(9-7-11)19(25)22-13-4-2-1-3-5-13/h1-9H,10H2,(H,22,25)(H,23,24)(H,26,27)
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2.50E+3 -7.64n/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))
BDBM14251
PNG
(4-bromo-3-(carboxymethoxy)-5-(4-methoxyphenyl)thio...)
Show SMILES COc1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Show InChI InChI=1S/C14H11BrO6S/c1-20-8-4-2-7(3-5-8)12-10(15)11(21-6-9(16)17)13(22-12)14(18)19/h2-5H,6H2,1H3,(H,16,17)(H,18,19)
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3.00E+3 -7.45n/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))
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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PubMed
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)
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)
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 (PTP1B)


(Homo sapiens (Human))
BDBM14248
PNG
(4-bromo-3-(carboxymethoxy)-5-(naphthalen-2-yl)thio...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C17H11BrO5S/c18-13-14(23-8-12(19)20)16(17(21)22)24-15(13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,19,20)(H,21,22)
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3.30E+3 -7.40n/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))
BDBM14255
PNG
(4-bromo-3-(carboxymethoxy)-5-[4-(dimethylamino)phe...)
Show SMILES CN(C)c1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Show InChI InChI=1S/C15H14BrNO5S/c1-17(2)9-5-3-8(4-6-9)13-11(16)12(22-7-10(18)19)14(23-13)15(20)21/h3-6H,7H2,1-2H3,(H,18,19)(H,20,21)
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9.00E+3 -6.88n/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
3D
3D Structure (docked)
Leukocyte common antigen


(Homo sapiens (Human))
BDBM14255
PNG
(4-bromo-3-(carboxymethoxy)-5-[4-(dimethylamino)phe...)
Show SMILES CN(C)c1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Show InChI InChI=1S/C15H14BrNO5S/c1-17(2)9-5-3-8(4-6-9)13-11(16)12(22-7-10(18)19)14(23-13)15(20)21/h3-6H,7H2,1-2H3,(H,18,19)(H,20,21)
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6.40E+4n/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
Leukocyte common antigen


(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
Leukocyte common antigen


(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



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
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))
BDBM14255
PNG
(4-bromo-3-(carboxymethoxy)-5-[4-(dimethylamino)phe...)
Show SMILES CN(C)c1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Show InChI InChI=1S/C15H14BrNO5S/c1-17(2)9-5-3-8(4-6-9)13-11(16)12(22-7-10(18)19)14(23-13)15(20)21/h3-6H,7H2,1-2H3,(H,18,19)(H,20,21)
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>1.00E+6n/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