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Found 166 hits of ph data with Target = 'Protein-Tyrosine Phosphatase 1B (PTP1B)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13593
PNG
(({4-[(2R)-2-(1H-1,2,3-benzotriazol-1-yl)-2-phenyle...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(C[C@H](c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C21H18F2N3O3P/c22-21(23,30(27,28)29)17-12-10-15(11-13-17)14-20(16-6-2-1-3-7-16)26-19-9-5-4-8-18(19)24-25-26/h1-13,20H,14H2,(H2,27,28,29)/t20-/m1/s1
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n/an/a 8.04E+3n/an/an/an/a6.322



Merck Research Laboratories



Assay Description
Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...


Biochemistry 42: 11451-9 (2003)


Article DOI: 10.1021/bi035098j
BindingDB Entry DOI: 10.7270/Q2HX19XS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13816
PNG
([difluoro({4-[3-(4-fluorophenyl)-2-[4-(3-methyl-1,...)
Show SMILES Cc1noc(n1)-c1ccc(cc1)C(C\C=C\c1ccccc1)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C34H28F3N2O5P/c1-23-38-32(44-39-23)27-11-17-28(18-12-27)33(21-5-8-24-6-3-2-4-7-24,31(40)26-13-19-30(35)20-14-26)22-25-9-15-29(16-10-25)34(36,37)45(41,42)43/h2-20H,21-22H2,1H3,(H2,41,42,43)/b8-5+
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n/an/a 163n/an/an/an/a6.322



Merck Frosst Center for Therapeutic Research



Assay Description
Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...


J Biol Chem 281: 8010-5 (2006)


Article DOI: 10.1074/jbc.M511827200
BindingDB Entry DOI: 10.7270/Q2C53J3V
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13596
PNG
(({4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccc(F)c(F)c2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C29H23F6N3O6P2/c30-23-14-13-22(15-24(23)31)27(38-26-4-2-1-3-25(26)36-37-38,16-18-5-9-20(10-6-18)28(32,33)45(39,40)41)17-19-7-11-21(12-8-19)29(34,35)46(42,43)44/h1-15H,16-17H2,(H2,39,40,41)(H2,42,43,44)
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n/an/a 13n/an/an/an/a6.322



Merck Research Laboratories



Assay Description
Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...


Biochemistry 42: 11451-9 (2003)


Article DOI: 10.1021/bi035098j
BindingDB Entry DOI: 10.7270/Q2HX19XS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13597
PNG
(({4-[(4E)-2-(1,3-benzothiazol-2-yl)-2-(1H-1,2,3-be...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(c2nc3ccccc3s2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C31H25F2N4O3PS/c32-31(33,41(38,39)40)24-18-16-23(17-19-24)21-30(20-8-11-22-9-2-1-3-10-22,29-34-26-13-5-7-15-28(26)42-29)37-27-14-6-4-12-25(27)35-36-37/h1-19H,20-21H2,(H2,38,39,40)/b11-8+
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n/an/a 23n/an/an/an/a6.322



Merck Research Laboratories



Assay Description
Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...


Biochemistry 42: 11451-9 (2003)


Article DOI: 10.1021/bi035098j
BindingDB Entry DOI: 10.7270/Q2HX19XS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13598
PNG
(({4-[2-(1H-1,2,3-benzotriazol-1-yl)-2-phenyl-3-(4-...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)-c2ccccc2)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C34H28F2N3O3P/c35-34(36,43(40,41)42)30-21-17-26(18-22-30)24-33(29-11-5-2-6-12-29,39-32-14-8-7-13-31(32)37-38-39)23-25-15-19-28(20-16-25)27-9-3-1-4-10-27/h1-22H,23-24H2,(H2,40,41,42)
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n/an/a 38n/an/an/an/a6.322



Merck Research Laboratories



Assay Description
Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...


Biochemistry 42: 11451-9 (2003)


Article DOI: 10.1021/bi035098j
BindingDB Entry DOI: 10.7270/Q2HX19XS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13599
PNG
(3-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)
Show SMILES OP(O)(=O)c1cccc(c1)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C34H29F2N3O6P2/c35-34(36,47(43,44)45)29-19-15-25(16-20-29)23-33(28-8-2-1-3-9-28,39-32-12-5-4-11-31(32)37-38-39)22-24-13-17-26(18-14-24)27-7-6-10-30(21-27)46(40,41)42/h1-21H,22-23H2,(H2,40,41,42)(H2,43,44,45)
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n/an/a 3n/an/an/an/a6.322



Merck Research Laboratories



Assay Description
Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...


Biochemistry 42: 11451-9 (2003)


Article DOI: 10.1021/bi035098j
BindingDB Entry DOI: 10.7270/Q2HX19XS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13600
PNG
(5-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)
Show SMILES COc1ccc(cc1P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C35H31F2N3O7P2/c1-47-32-20-17-27(21-33(32)48(41,42)43)26-15-11-24(12-16-26)22-34(28-7-3-2-4-8-28,40-31-10-6-5-9-30(31)38-39-40)23-25-13-18-29(19-14-25)35(36,37)49(44,45)46/h2-21H,22-23H2,1H3,(H2,41,42,43)(H2,44,45,46)
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n/an/a 10n/an/an/an/a6.322



Merck Research Laboratories



Assay Description
Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...


Biochemistry 42: 11451-9 (2003)


Article DOI: 10.1021/bi035098j
BindingDB Entry DOI: 10.7270/Q2HX19XS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13601
PNG
(5-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)
Show SMILES CC(C)CCOc1ccc(cc1P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C39H39F2N3O7P2/c1-27(2)22-23-51-36-21-18-31(24-37(36)52(45,46)47)30-16-12-28(13-17-30)25-38(32-8-4-3-5-9-32,44-35-11-7-6-10-34(35)42-43-44)26-29-14-19-33(20-15-29)39(40,41)53(48,49)50/h3-21,24,27H,22-23,25-26H2,1-2H3,(H2,45,46,47)(H2,48,49,50)
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n/an/a 6n/an/an/an/a6.322



Merck Research Laboratories



Assay Description
Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...


Biochemistry 42: 11451-9 (2003)


Article DOI: 10.1021/bi035098j
BindingDB Entry DOI: 10.7270/Q2HX19XS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13602
PNG
(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)
Show SMILES Cc1ccc2cc(cc(c2n1)P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C38H32F2N4O6P2/c1-25-11-16-29-21-30(22-35(36(29)41-25)51(45,46)47)28-17-12-26(13-18-28)23-37(31-7-3-2-4-8-31,44-34-10-6-5-9-33(34)42-43-44)24-27-14-19-32(20-15-27)38(39,40)52(48,49)50/h2-22H,23-24H2,1H3,(H2,45,46,47)(H2,48,49,50)
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n/an/a 12n/an/an/an/a6.322



Merck Research Laboratories



Assay Description
Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...


Biochemistry 42: 11451-9 (2003)


Article DOI: 10.1021/bi035098j
BindingDB Entry DOI: 10.7270/Q2HX19XS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13603
PNG
(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)
Show SMILES CC(C)CC(O)c1ccc2cc(cc(c2n1)P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C42H40F2N4O7P2/c1-27(2)22-38(49)36-21-18-31-23-32(24-39(40(31)45-36)56(50,51)52)30-16-12-28(13-17-30)25-41(33-8-4-3-5-9-33,48-37-11-7-6-10-35(37)46-47-48)26-29-14-19-34(20-15-29)42(43,44)57(53,54)55/h3-21,23-24,27,38,49H,22,25-26H2,1-2H3,(H2,50,51,52)(H2,53,54,55)
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n/an/a 6n/an/an/an/a6.322



Merck Research Laboratories



Assay Description
Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...


Biochemistry 42: 11451-9 (2003)


Article DOI: 10.1021/bi035098j
BindingDB Entry DOI: 10.7270/Q2HX19XS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13604
PNG
(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)
Show SMILES COC(CC(C)C)c1ccc2cc(cc(c2n1)P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C43H42F2N4O7P2/c1-28(2)23-39(56-3)37-22-19-32-24-33(25-40(41(32)46-37)57(50,51)52)31-17-13-29(14-18-31)26-42(34-9-5-4-6-10-34,49-38-12-8-7-11-36(38)47-48-49)27-30-15-20-35(21-16-30)43(44,45)58(53,54)55/h4-22,24-25,28,39H,23,26-27H2,1-3H3,(H2,50,51,52)(H2,53,54,55)
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n/an/a 5n/an/an/an/a6.322



Merck Research Laboratories



Assay Description
Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...


Biochemistry 42: 11451-9 (2003)


Article DOI: 10.1021/bi035098j
BindingDB Entry DOI: 10.7270/Q2HX19XS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13605
PNG
(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)
Show SMILES COCOC(CC(C)C)c1ccc2cc(cc(c2n1)P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C44H44F2N4O8P2/c1-29(2)23-40(58-28-57-3)38-22-19-33-24-34(25-41(42(33)47-38)59(51,52)53)32-17-13-30(14-18-32)26-43(35-9-5-4-6-10-35,50-39-12-8-7-11-37(39)48-49-50)27-31-15-20-36(21-16-31)44(45,46)60(54,55)56/h4-22,24-25,29,40H,23,26-28H2,1-3H3,(H2,51,52,53)(H2,54,55,56)
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n/an/a 11n/an/an/an/a6.322



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Assay Description
Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...


Biochemistry 42: 11451-9 (2003)


Article DOI: 10.1021/bi035098j
BindingDB Entry DOI: 10.7270/Q2HX19XS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13814
PNG
(({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...)
Show SMILES COC(=O)c1ccc(cc1)C(C\C=C\c1ccccc1)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)n1nnc2ccccc12
Show InChI InChI=1S/C32H28F2N3O5P/c1-42-30(38)25-15-19-26(20-16-25)31(21-7-10-23-8-3-2-4-9-23,37-29-12-6-5-11-28(29)35-36-37)22-24-13-17-27(18-14-24)32(33,34)43(39,40)41/h2-20H,21-22H2,1H3,(H2,39,40,41)/b10-7+
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n/an/a 39n/an/an/an/a6.322



Merck Frosst Center for Therapeutic Research



Assay Description
Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...


J Biol Chem 281: 8010-5 (2006)


Article DOI: 10.1074/jbc.M511827200
BindingDB Entry DOI: 10.7270/Q2C53J3V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13815
PNG
(({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2,5-diphe...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C30H26F2N3O3P/c31-30(32,39(36,37)38)26-19-17-24(18-20-26)22-29(25-13-5-2-6-14-25,21-9-12-23-10-3-1-4-11-23)35-28-16-8-7-15-27(28)33-34-35/h1-20H,21-22H2,(H2,36,37,38)/b12-9+
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n/an/a 109n/an/an/an/a6.322



Merck Frosst Center for Therapeutic Research



Assay Description
Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...


J Biol Chem 281: 8010-5 (2006)


Article DOI: 10.1074/jbc.M511827200
BindingDB Entry DOI: 10.7270/Q2C53J3V
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13595
PNG
(({4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C29H25F4N3O6P2/c30-28(31,43(37,38)39)23-14-10-20(11-15-23)18-27(22-6-2-1-3-7-22,36-26-9-5-4-8-25(26)34-35-36)19-21-12-16-24(17-13-21)29(32,33)44(40,41)42/h1-17H,18-19H2,(H2,37,38,39)(H2,40,41,42)
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n/an/a 16n/an/an/an/a6.322



Merck Research Laboratories



Assay Description
Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...


Biochemistry 42: 11451-9 (2003)


Article DOI: 10.1021/bi035098j
BindingDB Entry DOI: 10.7270/Q2HX19XS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 -36.9n/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 (PTP1B)


(Homo sapiens (human))
BDBM14253
PNG
(4-bromo-3-(carboxymethoxy)-5-(1H-indol-6-yl)thioph...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C15H10BrNO5S/c16-11-12(22-6-10(18)19)14(15(20)21)23-13(11)8-2-1-7-3-4-17-9(7)5-8/h1-5,17H,6H2,(H,18,19)(H,20,21)
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570 -35.3n/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
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 -33.9n/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))
BDBM14246
PNG
(4-bromo-3-(carboxymethoxy)-5-(thiophen-3-yl)thioph...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccsc1
Show InChI InChI=1S/C11H7BrO5S2/c12-7-8(17-3-6(13)14)10(11(15)16)19-9(7)5-1-2-18-4-5/h1-2,4H,3H2,(H,13,14)(H,15,16)
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1.40E+3 -33.1n/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
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 -31.2n/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))
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 -31.0n/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 (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 -31.0n/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))
BDBM14247
PNG
(4-bromo-3-(carboxymethoxy)-5-(pyridin-3-yl)thiophe...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccnc1
Show InChI InChI=1S/C12H8BrNO5S/c13-8-9(19-5-7(15)16)11(12(17)18)20-10(8)6-2-1-3-14-4-6/h1-4H,5H2,(H,15,16)(H,17,18)
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4.00E+3 -30.5n/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))
BDBM14249
PNG
(5-(1-benzofuran-6-yl)-4-bromo-3-(carboxymethoxy)th...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc2ccoc2c1
Show InChI InChI=1S/C15H9BrO6S/c16-11-12(22-6-10(17)18)14(15(19)20)23-13(11)8-2-1-7-3-4-21-9(7)5-8/h1-5H,6H2,(H,17,18)(H,19,20)
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5.00E+3 -30.0n/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
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 -26.8n/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))
BDBM14225
PNG
(3-(carboxymethoxy)-6-[(1-phenyl-1H-pyrazol-3-yl)ca...)
Show SMILES OC(=O)COc1c(sc2cc(ccc12)C(=O)Nc1ccn(n1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H15N3O6S/c25-17(26)11-30-18-14-7-6-12(10-15(14)31-19(18)21(28)29)20(27)22-16-8-9-24(23-16)13-4-2-1-3-5-13/h1-10H,11H2,(H,25,26)(H,28,29)(H,22,23,27)
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2.00E+4 -26.6n/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 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13433
PNG
(N-[(3S)-2-[(tert-butoxy)carbonyl]-3-(methylcarbamo...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)OC(C)(C)C
Show InChI InChI=1S/C16H23N3O6S/c1-16(2,3)25-15(21)19-9-11-7-12(18-26(22,23)24)6-5-10(11)8-13(19)14(20)17-4/h5-7,13,18H,8-9H2,1-4H3,(H,17,20)(H,22,23,24)/t13-/m0/s1
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2.40E+4 -26.1n/an/an/an/an/a7.022



Procter & Gamble Pharmaceuticals



Assay Description
The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...


Bioorg Med Chem Lett 16: 1574-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.051
BindingDB Entry DOI: 10.7270/Q2PN93WP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14223
PNG
(3-(carboxymethoxy)-6-(4-hydroxyphenyl)-1-benzothio...)
Show SMILES OC(=O)COc1c(sc2cc(ccc12)-c1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C17H12O6S/c18-11-4-1-9(2-5-11)10-3-6-12-13(7-10)24-16(17(21)22)15(12)23-8-14(19)20/h1-7,18H,8H2,(H,19,20)(H,21,22)
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2.60E+4 -25.9n/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 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14224
PNG
(3-(carboxymethoxy)-6-(thiophen-2-yl)-1-benzothioph...)
Show SMILES OC(=O)COc1c(sc2cc(ccc12)-c1cccs1)C(O)=O
Show InChI InChI=1S/C15H10O5S2/c16-12(17)7-20-13-9-4-3-8(10-2-1-5-21-10)6-11(9)22-14(13)15(18)19/h1-6H,7H2,(H,16,17)(H,18,19)
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3.00E+4 -25.6n/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 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14221
PNG
(6-bromo-3-(carboxymethoxy)-1-benzothiophene-2-carb...)
Show SMILES OC(=O)COc1c(sc2cc(Br)ccc12)C(O)=O
Show InChI InChI=1S/C11H7BrO5S/c12-5-1-2-6-7(3-5)18-10(11(15)16)9(6)17-4-8(13)14/h1-3H,4H2,(H,13,14)(H,15,16)
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4.20E+4 -24.7n/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 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14220
PNG
(3-[carboxy(fluoro)methoxy]-6-chloro-1-benzothiophe...)
Show SMILES OC(=O)C(F)Oc1c(sc2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C11H6ClFO5S/c12-4-1-2-5-6(3-4)19-8(10(14)15)7(5)18-9(13)11(16)17/h1-3,9H,(H,14,15)(H,16,17)
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5.20E+4 -24.2n/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 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14218
PNG
(3-(carboxymethoxy)-6-chloro-1-benzothiophene-2-car...)
Show SMILES OC(=O)COc1c(sc2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C11H7ClO5S/c12-5-1-2-6-7(3-5)18-10(11(15)16)9(6)17-4-8(13)14/h1-3H,4H2,(H,13,14)(H,15,16)
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6.10E+4 -23.8n/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 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14216
PNG
(3-(carboxymethoxy)thieno[3,2-b]pyridine-2-carboxyl...)
Show SMILES OC(=O)COc1c(sc2cccnc12)C(O)=O
Show InChI InChI=1S/C10H7NO5S/c12-6(13)4-16-8-7-5(2-1-3-11-7)17-9(8)10(14)15/h1-3H,4H2,(H,12,13)(H,14,15)
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7.70E+4 -23.2n/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 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14222
PNG
(3-(carboxymethoxy)-6-phenyl-1-benzothiophene-2-car...)
Show SMILES OC(=O)COc1c(sc2cc(ccc12)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C17H12O5S/c18-14(19)9-22-15-12-7-6-11(10-4-2-1-3-5-10)8-13(12)23-16(15)17(20)21/h1-8H,9H2,(H,18,19)(H,20,21)
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1.28E+5 -22.0n/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 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
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 -21.4n/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 (PTP1B)


(Homo sapiens (human))
BDBM14214
PNG
(3-(carboxymethoxy)-1-benzothiophene-2-carboxylic a...)
Show SMILES OC(=O)COc1c(sc2ccccc12)C(O)=O
Show InChI InChI=1S/C11H8O5S/c12-8(13)5-16-9-6-3-1-2-4-7(6)17-10(9)11(14)15/h1-4H,5H2,(H,12,13)(H,14,15)
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1.60E+5 -21.4n/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 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14217
PNG
(3-(carboxymethoxy)thieno[3,2-b]thiophene-2-carboxy...)
Show SMILES OC(=O)COc1c(sc2ccsc12)C(O)=O
Show InChI InChI=1S/C9H6O5S2/c10-5(11)3-14-6-7-4(1-2-15-7)16-8(6)9(12)13/h1-2H,3H2,(H,10,11)(H,12,13)
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2.80E+5 -20.1n/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 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14212
PNG
(3-(carboxymethoxy)naphthalene-2-carboxylic acid | ...)
Show SMILES OC(=O)COc1cc2ccccc2cc1C(O)=O
Show InChI InChI=1S/C13H10O5/c14-12(15)7-18-11-6-9-4-2-1-3-8(9)5-10(11)13(16)17/h1-6H,7H2,(H,14,15)(H,16,17)
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8.60E+5 -17.3n/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 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14243
PNG
(3-(carboxymethoxy)-4-phenylthiophene-2-carboxylic ...)
Show SMILES OC(=O)COc1c(scc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C13H10O5S/c14-10(15)6-18-11-9(7-19-12(11)13(16)17)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,15)(H,16,17)
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>1.00E+6>-17.0n/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
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>-17.0n/an/an/an/an/a7.022



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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>-17.0n/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))
BDBM14215
PNG
(3-(carboxymethoxy)-6-methylthieno[3,2-c]pyridine-2...)
Show SMILES Cc1cc2sc(C(O)=O)c(OCC(O)=O)c2cn1
Show InChI InChI=1S/C11H9NO5S/c1-5-2-7-6(3-12-5)9(17-4-8(13)14)10(18-7)11(15)16/h2-3H,4H2,1H3,(H,13,14)(H,15,16)
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>2.50E+6>-14.7n/an/an/an/an/a7.022



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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 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14213
PNG
(3-(carboxymethoxy)furo[2,3-b]pyridine-2-carboxylic...)
Show SMILES OC(=O)COc1c(oc2ncccc12)C(O)=O
Show InChI InChI=1S/C10H7NO6/c12-6(13)4-16-7-5-2-1-3-11-9(5)17-8(7)10(14)15/h1-3H,4H2,(H,12,13)(H,14,15)
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>2.50E+6>-14.7n/an/an/an/an/a7.022



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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 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14219
PNG
(3-(1-carboxyethoxy)-6-chloro-1-benzothiophene-2-ca...)
Show SMILES CC(Oc1c(sc2cc(Cl)ccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H9ClO5S/c1-5(11(14)15)18-9-7-3-2-6(13)4-8(7)19-10(9)12(16)17/h2-5H,1H3,(H,14,15)(H,16,17)
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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 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13471
PNG
(({4-[(2S)-2-carbamoyl-2-[2-(1-{4-[difluoro(phospho...)
Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)CNC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C21H23F4N3O9P2/c22-20(23,38(32,33)34)14-5-1-12(2-6-14)9-16(19(26)31)28-18(30)11-27-17(29)10-13-3-7-15(8-4-13)21(24,25)39(35,36)37/h1-8,16H,9-11H2,(H2,26,31)(H,27,29)(H,28,30)(H2,32,33,34)(H2,35,36,37)/t16-/m0/s1
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n/an/a 42n/an/an/an/a7.022



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Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13472
PNG
(({4-[(2S)-2-carbamoyl-2-[(2S)-2-acetamido-3-phenyl...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(N)=O
Show InChI InChI=1S/C21H24F2N3O6P/c1-13(27)25-18(12-14-5-3-2-4-6-14)20(29)26-17(19(24)28)11-15-7-9-16(10-8-15)21(22,23)33(30,31)32/h2-10,17-18H,11-12H2,1H3,(H2,24,28)(H,25,27)(H,26,29)(H2,30,31,32)/t17-,18-/m0/s1
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n/an/a 1.70E+3n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13473
PNG
((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-(1,3...)
Show SMILES O=C1C[C@@H](c2ccc(C[C@H](Nc3nc4ccccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1
Show InChI InChI=1S/C25H21N5O3S2/c31-23-14-22(35(32,33)30-23)16-11-9-15(10-12-16)13-20(24-26-17-5-1-2-6-18(17)27-24)29-25-28-19-7-3-4-8-21(19)34-25/h1-12,20,22H,13-14H2,(H,26,27)(H,28,29)(H,30,31)/t20-,22-/m0/s1
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n/an/a 240n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13474
PNG
(2,2,2-trifluoro-N-[(1S)-1-[5-(trifluoromethyl)-1H-...)
Show SMILES FC(F)(F)C(=O)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)c1nc2ccc(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H16F6N4O4S/c22-20(23,24)12-5-6-13-14(8-12)29-18(28-13)15(30-19(33)21(25,26)27)7-10-1-3-11(4-2-10)16-9-17(32)31-36(16,34)35/h1-6,8,15-16H,7,9H2,(H,28,29)(H,30,33)(H,31,32)/t15-,16-/m0/s1
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n/an/a 110n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13475
PNG
(Isothiazolidinone (IZD) deriv. 4 | N-[(1S)-1-(1H-1...)
Show SMILES CN1CCOc2cc(ccc12)S(=O)(=O)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C27H27N5O6S2/c1-32-12-13-38-24-15-19(10-11-23(24)32)39(34,35)30-22(27-28-20-4-2-3-5-21(20)29-27)14-17-6-8-18(9-7-17)25-16-26(33)31-40(25,36)37/h2-11,15,22,25,30H,12-14,16H2,1H3,(H,28,29)(H,31,33)/t22-,25-/m0/s1
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n/an/a 59n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13476
PNG
((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(4-...)
Show SMILES COc1cccc2sc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc12
Show InChI InChI=1S/C26H23N5O4S2/c1-35-20-7-4-8-21-24(20)30-26(36-21)29-19(25-27-17-5-2-3-6-18(17)28-25)13-15-9-11-16(12-10-15)22-14-23(32)31-37(22,33)34/h2-12,19,22H,13-14H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t19-,22-/m0/s1
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n/an/a 550n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X
More data for this
Ligand-Target Pair
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