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Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with Target = 'Protein-tyrosine phosphatase 1B (PTP1B)' AND taxid = 10116   
Target
(Institution)
LigandTarget
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)


(Rattus norvegicus (rat))
BDBM13614
PNG
(2-(carboxymethoxy)-5-[(2S)-2-(pentylcarbamoyl)-2-[...)
Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1[nH]ncc1=S
Show InChI InChI=1S/C30H36N6O8S/c1-2-3-7-12-31-28(40)22(15-20-10-11-24(44-18-27(38)39)21(13-20)30(42)43)34-29(41)23(14-19-8-5-4-6-9-19)33-25(37)17-36-26(45)16-32-35-36/h4-6,8-11,13,16,22-23,35H,2-3,7,12,14-15,17-18H2,1H3,(H,31,40)(H,33,37)(H,34,41)(H,38,39)(H,42,43)/t22-,23-/m0/s1
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120 -39.1n/an/an/an/an/a7.222



Pharmacia Corporation



Assay Description
Hydrolysis of substrate p-nitrophenyl phosphate was monitored on a 96-well microplate reader. Concentrations of PTP1B inhibitors that resulted in 50%...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM13611
PNG
(2-(carboxymethoxy)-5-[(2S)-2-[(2S)-2-(3-formamidop...)
Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(O)=O
Show InChI InChI=1S/C30H37N3O10/c1-2-3-7-14-31-28(39)22(17-20-10-11-24(43-18-27(37)38)21(15-20)30(41)42)33-29(40)23(16-19-8-5-4-6-9-19)32-25(34)12-13-26(35)36/h4-6,8-11,15,22-23H,2-3,7,12-14,16-18H2,1H3,(H,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)(H,41,42)/t22-,23-/m0/s1
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250 -37.3n/an/an/an/an/a7.222



Pharmacia Corporation



Assay Description
Hydrolysis of substrate p-nitrophenyl phosphate was monitored on a 96-well microplate reader. Concentrations of PTP1B inhibitors that resulted in 50%...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM13609
PNG
(2-{4-[(2S)-2-[(2S)-2-(3-formamidopropanoic acid)-3...)
Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(OC(C(O)=O)C(O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(O)=O
Show InChI InChI=1S/C30H37N3O10/c1-2-3-7-16-31-27(37)22(18-20-10-12-21(13-11-20)43-26(29(39)40)30(41)42)33-28(38)23(17-19-8-5-4-6-9-19)32-24(34)14-15-25(35)36/h4-6,8-13,22-23,26H,2-3,7,14-18H2,1H3,(H,31,37)(H,32,34)(H,33,38)(H,35,36)(H,39,40)(H,41,42)/t22-,23-/m0/s1
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1.20E+3 -33.5n/an/an/an/an/a7.222



Pharmacia Corporation



Assay Description
Hydrolysis of substrate p-nitrophenyl phosphate was monitored on a 96-well microplate reader. Concentrations of PTP1B inhibitors that resulted in 50%...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM13610
PNG
(2-(carboxymethoxy)-5-[(2S)-2-(3-formamidopropanoic...)
Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)CCC(O)=O
Show InChI InChI=1S/C21H28N2O9/c1-2-3-4-9-22-20(29)15(23-17(24)7-8-18(25)26)11-13-5-6-16(32-12-19(27)28)14(10-13)21(30)31/h5-6,10,15H,2-4,7-9,11-12H2,1H3,(H,22,29)(H,23,24)(H,25,26)(H,27,28)(H,30,31)/t15-/m0/s1
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2.80E+3 -31.4n/an/an/an/an/a7.222



Pharmacia Corporation



Assay Description
Hydrolysis of substrate p-nitrophenyl phosphate was monitored on a 96-well microplate reader. Concentrations of PTP1B inhibitors that resulted in 50%...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM13613
PNG
(2-{4-[(2S)-2-({[(1S)-1-carboxy-2-phenylethyl]carba...)
Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(OC(C(O)=O)C(O)=O)cc1)NC(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H33N3O9/c1-2-3-7-14-28-23(31)20(15-18-10-12-19(13-11-18)39-22(25(34)35)26(36)37)29-27(38)30-21(24(32)33)16-17-8-5-4-6-9-17/h4-6,8-13,20-22H,2-3,7,14-16H2,1H3,(H,28,31)(H,32,33)(H,34,35)(H,36,37)(H2,29,30,38)/t20-,21-/m0/s1
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3.40E+3 -30.9n/an/an/an/an/a7.222



Pharmacia Corporation



Assay Description
Hydrolysis of substrate p-nitrophenyl phosphate was monitored on a 96-well microplate reader. Concentrations of PTP1B inhibitors that resulted in 50%...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM13606
PNG
((3S)-3-{[(1S)-1-{[(1S)-1-carbamoylpentyl]carbamoyl...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(N)=O
Show InChI InChI=1S/C21H30N4O10S/c1-3-4-5-15(19(22)29)24-20(30)16(25-21(31)17(11-18(27)28)23-12(2)26)10-13-6-8-14(9-7-13)35-36(32,33)34/h6-9,15-17H,3-5,10-11H2,1-2H3,(H2,22,29)(H,23,26)(H,24,30)(H,25,31)(H,27,28)(H,32,33,34)/t15-,16-,17-/m0/s1
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5.00E+3 -30.0n/an/an/an/an/a7.222



Pharmacia Corporation



Assay Description
Hydrolysis of substrate p-nitrophenyl phosphate was monitored on a 96-well microplate reader. Concentrations of PTP1B inhibitors that resulted in 50%...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM13608
PNG
(2-{4-[(2S)-2-(3-formamidopropanoic acid)-2-(pentyl...)
Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(OC(C(O)=O)C(O)=O)cc1)NC(=O)CCC(O)=O
Show InChI InChI=1S/C21H28N2O9/c1-2-3-4-11-22-19(27)15(23-16(24)9-10-17(25)26)12-13-5-7-14(8-6-13)32-18(20(28)29)21(30)31/h5-8,15,18H,2-4,9-12H2,1H3,(H,22,27)(H,23,24)(H,25,26)(H,28,29)(H,30,31)/t15-/m0/s1
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1.20E+4 -27.8n/an/an/an/an/a7.222



Pharmacia Corporation



Assay Description
Hydrolysis of substrate p-nitrophenyl phosphate was monitored on a 96-well microplate reader. Concentrations of PTP1B inhibitors that resulted in 50%...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM13607
PNG
(3-{[(1S)-1-(pentylcarbamoyl)-2-[4-(sulfooxy)phenyl...)
Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)CCC(O)=O
Show InChI InChI=1S/C18H26N2O8S/c1-2-3-4-11-19-18(24)15(20-16(21)9-10-17(22)23)12-13-5-7-14(8-6-13)28-29(25,26)27/h5-8,15H,2-4,9-12H2,1H3,(H,19,24)(H,20,21)(H,22,23)(H,25,26,27)/t15-/m0/s1
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3.00E+4 -25.6n/an/an/an/an/a7.222



Pharmacia Corporation



Assay Description
Hydrolysis of substrate p-nitrophenyl phosphate was monitored on a 96-well microplate reader. Concentrations of PTP1B inhibitors that resulted in 50%...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM13612
PNG
(Compound VII | methyl 2-(2-methoxy-2-oxoethoxy)-5-...)
Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)OC)c(c1)C(=O)OC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)OC
Show InChI InChI=1S/C33H43N3O10/c1-5-6-10-17-34-31(40)25(20-23-13-14-27(46-21-30(39)44-3)24(18-23)33(42)45-4)36-32(41)26(19-22-11-8-7-9-12-22)35-28(37)15-16-29(38)43-2/h7-9,11-14,18,25-26H,5-6,10,15-17,19-21H2,1-4H3,(H,34,40)(H,35,37)(H,36,41)/t25-,26-/m0/s1
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>1.00E+5>-22.6n/an/an/an/an/a7.222



Pharmacia Corporation



Assay Description
Hydrolysis of substrate p-nitrophenyl phosphate was monitored on a 96-well microplate reader. Concentrations of PTP1B inhibitors that resulted in 50%...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50085948
PNG
(2-(3-{3-[5-Phenyl-2-(4-trifluoromethyl-phenyl)-oxa...)
Show SMILES C\C(=C/Cn1oc(=O)[nH]c1=O)c1cccc(OCc2nc(oc2-c2ccccc2)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C29H22F3N3O5/c1-18(14-15-35-27(36)34-28(37)40-35)21-8-5-9-23(16-21)38-17-24-25(19-6-3-2-4-7-19)39-26(33-24)20-10-12-22(13-11-20)29(30,31)32/h2-14,16H,15,17H2,1H3,(H,34,36,37)/b18-14+
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n/an/a 300n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of PTPase activity using recombinant r-PTP1B as the enzyme and IR-triphosphopeptide as substrate


J Med Chem 43: 995-1010 (2000)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50085938
PNG
(2-{3-[3-(3,5-Dichloro-benzyloxy)-phenyl]-hept-2-en...)
Show SMILES CCCC\C(=C/Cn1oc(=O)[nH]c1=O)c1cccc(OCc2cc(Cl)cc(Cl)c2)c1
Show InChI InChI=1S/C22H22Cl2N2O4/c1-2-3-5-16(8-9-26-21(27)25-22(28)30-26)17-6-4-7-20(12-17)29-14-15-10-18(23)13-19(24)11-15/h4,6-8,10-13H,2-3,5,9,14H2,1H3,(H,25,27,28)/b16-8+
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n/an/a 800n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of PTPase activity using recombinant r-PTP1B as the enzyme and IR-triphosphopeptide as substrate


J Med Chem 43: 995-1010 (2000)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50085965
PNG
(2-{3-[3-(2-Butyl-benzofuran-3-ylmethyl)-phenyl]-bu...)
Show SMILES CCCCc1oc2ccccc2c1Cc1cccc(c1)C(\C)=C\Cn1oc(=O)[nH]c1=O
Show InChI InChI=1S/C25H26N2O4/c1-3-4-11-23-21(20-10-5-6-12-22(20)30-23)16-18-8-7-9-19(15-18)17(2)13-14-27-24(28)26-25(29)31-27/h5-10,12-13,15H,3-4,11,14,16H2,1-2H3,(H,26,28,29)/b17-13+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of PTPase activity using recombinant r-PTP1B as the enzyme and IR-triphosphopeptide as substrate


J Med Chem 43: 995-1010 (2000)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50085956
PNG
(2-[3-(4-{2-[5-Methyl-2-(4-trifluoromethyl-phenyl)-...)
Show SMILES C\C(=C/Cn1oc(=O)[nH]c1=O)c1ccc(OCCc2nc(oc2C)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H22F3N3O5/c1-15(11-13-31-23(32)30-24(33)36-31)17-5-9-20(10-6-17)34-14-12-21-16(2)35-22(29-21)18-3-7-19(8-4-18)25(26,27)28/h3-11H,12-14H2,1-2H3,(H,30,32,33)/b15-11+
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n/an/a 1.60E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of PTPase activity using recombinant r-PTP1B as the enzyme and IR-triphosphopeptide as substrate


J Med Chem 43: 995-1010 (2000)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50085942
PNG
(2-{(E)-3-[3-(3,5-Dichloro-phenoxy)-phenyl]-hept-2-...)
Show SMILES CCCC\C(=C/Cn1oc(=O)[nH]c1=O)c1cccc(Oc2cc(Cl)cc(Cl)c2)c1
Show InChI InChI=1S/C21H20Cl2N2O4/c1-2-3-5-14(8-9-25-20(26)24-21(27)29-25)15-6-4-7-18(10-15)28-19-12-16(22)11-17(23)13-19/h4,6-8,10-13H,2-3,5,9H2,1H3,(H,24,26,27)/b14-8+
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n/an/a 1.60E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of PTPase activity using recombinant r-PTP1B as the enzyme and IR-triphosphopeptide as substrate


J Med Chem 43: 995-1010 (2000)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50085938
PNG
(2-{3-[3-(3,5-Dichloro-benzyloxy)-phenyl]-hept-2-en...)
Show SMILES CCCC\C(=C/Cn1oc(=O)[nH]c1=O)c1cccc(OCc2cc(Cl)cc(Cl)c2)c1
Show InChI InChI=1S/C22H22Cl2N2O4/c1-2-3-5-16(8-9-26-21(27)25-22(28)30-26)17-6-4-7-20(12-17)29-14-15-10-18(23)13-19(24)11-15/h4,6-8,10-13H,2-3,5,9,14H2,1H3,(H,25,27,28)/b16-8+
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n/an/a 1.80E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of PTPase activity using recombinant Protein-tyrosine phosphatase 1B as the enzyme and IR-triphosphopeptide as substrate


J Med Chem 43: 995-1010 (2000)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50085941
PNG
(2-[3-(3-Phenoxy-phenyl)-hept-2-enyl]-[1,2,4]oxadia...)
Show SMILES CCCC\C(=C/Cn1oc(=O)[nH]c1=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C21H22N2O4/c1-2-3-8-16(13-14-23-20(24)22-21(25)27-23)17-9-7-12-19(15-17)26-18-10-5-4-6-11-18/h4-7,9-13,15H,2-3,8,14H2,1H3,(H,22,24,25)/b16-13+
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n/an/a 2.00E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of PTPase activity using recombinant r-PTP1B as the enzyme and IR-triphosphopeptide as substrate


J Med Chem 43: 995-1010 (2000)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50085961
PNG
(2-{3-[3-(2-Butyl-benzofuran-3-ylmethoxy)-phenyl]-b...)
Show SMILES CCCCc1oc2ccccc2c1COc1cccc(c1)C(\C)=C\Cn1oc(=O)[nH]c1=O
Show InChI InChI=1S/C25H26N2O5/c1-3-4-11-23-21(20-10-5-6-12-22(20)31-23)16-30-19-9-7-8-18(15-19)17(2)13-14-27-24(28)26-25(29)32-27/h5-10,12-13,15H,3-4,11,14,16H2,1-2H3,(H,26,28,29)/b17-13+
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n/an/a 2.70E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of PTPase activity using recombinant r-PTP1B as the enzyme and IR-triphosphopeptide as substrate


J Med Chem 43: 995-1010 (2000)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50085967
PNG
(2-{3-[3-(5-Phenyl-[1,2,4]oxadiazol-3-ylmethoxy)-ph...)
Show SMILES C\C(=C/Cn1oc(=O)[nH]c1=O)c1cccc(OCc2noc(n2)-c2ccccc2)c1
Show InChI InChI=1S/C21H18N4O5/c1-14(10-11-25-20(26)23-21(27)30-25)16-8-5-9-17(12-16)28-13-18-22-19(29-24-18)15-6-3-2-4-7-15/h2-10,12H,11,13H2,1H3,(H,23,26,27)/b14-10+
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n/an/a 3.00E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of PTPase activity using recombinant r-PTP1B as the enzyme and IR-triphosphopeptide as substrate


J Med Chem 43: 995-1010 (2000)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50085958
PNG
(2-(3-{3-[5-Methyl-2-(4-trifluoromethyl-phenyl)-oxa...)
Show SMILES C\C(=C/Cn1sc(=O)[nH]c1=O)c1cccc(OCc2nc(oc2C)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C24H20F3N3O4S/c1-14(10-11-30-22(31)29-23(32)35-30)17-4-3-5-19(12-17)33-13-20-15(2)34-21(28-20)16-6-8-18(9-7-16)24(25,26)27/h3-10,12H,11,13H2,1-2H3,(H,29,31,32)/b14-10+
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n/an/a 3.80E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of PTPase activity using recombinant r-PTP1B as the enzyme and IR-triphosphopeptide as substrate


J Med Chem 43: 995-1010 (2000)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50085960
PNG
(2-{(E)-3-[3-(3,5-Bis-trifluoromethyl-benzyloxy)-ph...)
Show SMILES C\C(=C/Cn1oc(=O)[nH]c1=O)c1cccc(OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C21H16F6N2O4/c1-12(5-6-29-18(30)28-19(31)33-29)14-3-2-4-17(9-14)32-11-13-7-15(20(22,23)24)10-16(8-13)21(25,26)27/h2-5,7-10H,6,11H2,1H3,(H,28,30,31)/b12-5+
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n/an/a 4.10E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of PTPase activity using recombinant r-PTP1B as the enzyme and IR-triphosphopeptide as substrate


J Med Chem 43: 995-1010 (2000)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50440661
PNG
(CHEMBL2430649)
Show SMILES FC(F)(F)c1ccc(cc1)-n1cc(COc2ccc(cc2)-c2nc3c(ccc4ccccc34)o2)nn1
Show InChI InChI=1S/C27H17F3N4O2/c28-27(29,30)19-8-10-21(11-9-19)34-15-20(32-33-34)16-35-22-12-5-18(6-13-22)26-31-25-23-4-2-1-3-17(23)7-14-24(25)36-26/h1-15H,16H2
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n/an/a 8.61E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PTP1B in rat liver homogenates using p-nitro phenyl phosphate as substrate preincubated for 30 mins followed by substrate addition meas...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50085952
PNG
(2-{3-[3-(4-Methoxy-phenoxy)-phenyl]-hept-2-enyl}-[...)
Show SMILES CCCC\C(=C/Cn1oc(=O)[nH]c1=O)c1cccc(Oc2ccc(OC)cc2)c1
Show InChI InChI=1S/C22H24N2O5/c1-3-4-6-16(13-14-24-21(25)23-22(26)29-24)17-7-5-8-20(15-17)28-19-11-9-18(27-2)10-12-19/h5,7-13,15H,3-4,6,14H2,1-2H3,(H,23,25,26)/b16-13+
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n/an/a 1.00E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of PTPase activity using recombinant r-PTP1B as the enzyme and IR-triphosphopeptide as substrate


J Med Chem 43: 995-1010 (2000)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50085963
PNG
(2-{(E)-3-[3-(3,5-Bis-trifluoromethyl-phenoxymethyl...)
Show SMILES C\C(=C/Cn1oc(=O)[nH]c1=O)c1cccc(COc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C21H16F6N2O4/c1-12(5-6-29-18(30)28-19(31)33-29)14-4-2-3-13(7-14)11-32-17-9-15(20(22,23)24)8-16(10-17)21(25,26)27/h2-5,7-10H,6,11H2,1H3,(H,28,30,31)/b12-5+
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n/an/a 1.20E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of PTPase activity using recombinant r-PTP1B as the enzyme and IR-triphosphopeptide as substrate


J Med Chem 43: 995-1010 (2000)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50085939
PNG
(2-[3-(3-p-Tolyloxy-phenyl)-hept-2-enyl]-[1,2,4]oxa...)
Show SMILES CCCC\C(=C/Cn1oc(=O)[nH]c1=O)c1cccc(Oc2ccc(C)cc2)c1
Show InChI InChI=1S/C22H24N2O4/c1-3-4-6-17(13-14-24-21(25)23-22(26)28-24)18-7-5-8-20(15-18)27-19-11-9-16(2)10-12-19/h5,7-13,15H,3-4,6,14H2,1-2H3,(H,23,25,26)/b17-13+
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n/an/a 1.30E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of PTPase activity using recombinant r-PTP1B as the enzyme and IR-triphosphopeptide as substrate


J Med Chem 43: 995-1010 (2000)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50085945
PNG
(1-(3-{3-[5-Methyl-2-(4-trifluoromethyl-phenyl)-oxa...)
Show SMILES C\C(=C/Cn1cc(O)[nH]c1=O)c1cccc(OCc2nc(oc2C)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C25H22F3N3O4/c1-15(10-11-31-13-22(32)30-24(31)33)18-4-3-5-20(12-18)34-14-21-16(2)35-23(29-21)17-6-8-19(9-7-17)25(26,27)28/h3-10,12-13,32H,11,14H2,1-2H3,(H,30,33)/b15-10+
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n/an/a 1.30E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of PTPase activity using recombinant r-PTP1B as the enzyme and IR-triphosphopeptide as substrate


J Med Chem 43: 995-1010 (2000)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50085955
PNG
(2-{3-[3-(5-Chloro-naphthalen-2-ylmethoxy)-phenyl]-...)
Show SMILES C\C(=C/Cn1oc(=O)[nH]c1=O)c1cccc(OCc2ccc3c(Cl)cccc3c2)c1
Show InChI InChI=1S/C23H19ClN2O4/c1-15(10-11-26-22(27)25-23(28)30-26)17-4-2-6-19(13-17)29-14-16-8-9-20-18(12-16)5-3-7-21(20)24/h2-10,12-13H,11,14H2,1H3,(H,25,27,28)/b15-10+
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n/an/a 1.60E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of PTPase activity using recombinant r-PTP1B as the enzyme and IR-triphosphopeptide as substrate


J Med Chem 43: 995-1010 (2000)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50085949
PNG
(2-(3-{3-[2-(4-Trifluoromethyl-phenyl)-oxazol-4-ylm...)
Show SMILES C\C(=C/Cn1oc(=O)[nH]c1=O)c1cccc(OCc2coc(n2)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C23H18F3N3O5/c1-14(9-10-29-21(30)28-22(31)34-29)16-3-2-4-19(11-16)32-12-18-13-33-20(27-18)15-5-7-17(8-6-15)23(24,25)26/h2-9,11,13H,10,12H2,1H3,(H,28,30,31)/b14-9+
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n/an/a 1.90E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of PTPase activity using recombinant r-PTP1B as the enzyme and IR-triphosphopeptide as substrate


J Med Chem 43: 995-1010 (2000)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50440662
PNG
(CHEMBL2430648)
Show SMILES Cc1ccc(cc1)-n1cc(COc2ccc(cc2)-c2nc3c(ccc4ccccc34)o2)nn1
Show InChI InChI=1S/C27H20N4O2/c1-18-6-11-22(12-7-18)31-16-21(29-30-31)17-32-23-13-8-20(9-14-23)27-28-26-24-5-3-2-4-19(24)10-15-25(26)33-27/h2-16H,17H2,1H3
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n/an/a 2.04E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PTP1B in rat liver homogenates using p-nitro phenyl phosphate as substrate preincubated for 30 mins followed by substrate addition meas...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50085942
PNG
(2-{(E)-3-[3-(3,5-Dichloro-phenoxy)-phenyl]-hept-2-...)
Show SMILES CCCC\C(=C/Cn1oc(=O)[nH]c1=O)c1cccc(Oc2cc(Cl)cc(Cl)c2)c1
Show InChI InChI=1S/C21H20Cl2N2O4/c1-2-3-5-14(8-9-25-20(26)24-21(27)29-25)15-6-4-7-18(10-15)28-19-12-16(22)11-17(23)13-19/h4,6-8,10-13H,2-3,5,9H2,1H3,(H,24,26,27)/b14-8+
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n/an/a 2.30E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of PTPase activity in rat hepatic membrane at a concentration of 50 uM using pNPP as the substrate


J Med Chem 43: 995-1010 (2000)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50085959
PNG
(2-(3-{3-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]...)
Show SMILES C\C(=C/Cn1oc(=O)[nH]c1=O)c1cccc(OCCc2nc(oc2C)-c2ccccc2)c1
Show InChI InChI=1S/C24H23N3O5/c1-16(11-13-27-23(28)26-24(29)32-27)19-9-6-10-20(15-19)30-14-12-21-17(2)31-22(25-21)18-7-4-3-5-8-18/h3-11,15H,12-14H2,1-2H3,(H,26,28,29)/b16-11+
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n/an/a 2.40E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of PTPase activity using recombinant r-PTP1B as the enzyme and IR-triphosphopeptide as substrate


J Med Chem 43: 995-1010 (2000)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50085950
PNG
(2-(4,4-Dimethyl-3-{3-[5-methyl-2-(4-trifluoromethy...)
Show SMILES Cc1oc(nc1COc1cccc(c1)C(=C\Cn1oc(=O)[nH]c1=O)\C(C)(C)C)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H26F3N3O5/c1-16-22(31-23(37-16)17-8-10-19(11-9-17)27(28,29)30)15-36-20-7-5-6-18(14-20)21(26(2,3)4)12-13-33-24(34)32-25(35)38-33/h5-12,14H,13,15H2,1-4H3,(H,32,34,35)/b21-12-
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n/an/a 2.40E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of PTPase activity in rat hepatic membrane at a concentration of 50 uM using pNPP as the substrate


J Med Chem 43: 995-1010 (2000)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50085969
PNG
(2-(3-{3-[3-(3,5-Bis-trifluoromethyl-phenyl)-prop-2...)
Show SMILES C\C(=C/Cn1oc(=O)[nH]c1=O)c1cccc(OCC#Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C23H16F6N2O4/c1-14(7-8-31-20(32)30-21(33)35-31)16-5-2-6-19(12-16)34-9-3-4-15-10-17(22(24,25)26)13-18(11-15)23(27,28)29/h2,5-7,10-13H,8-9H2,1H3,(H,30,32,33)/b14-7+
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n/an/a 2.50E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit PTPase activity, recombinant r-PTP1B as the enzyme at a concentration 2.5 uM .


J Med Chem 43: 995-1010 (2000)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50085946
PNG
(2-(3-(4-Chloro-phenyl)-3-{3-[5-methyl-2-(4-trifluo...)
Show SMILES Cc1oc(nc1COc1cccc(c1)C(=C\Cn1oc(=O)[nH]c1=O)\c1ccc(Cl)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H21ClF3N3O5/c1-17-25(34-26(40-17)19-5-9-21(10-6-19)29(31,32)33)16-39-23-4-2-3-20(15-23)24(18-7-11-22(30)12-8-18)13-14-36-27(37)35-28(38)41-36/h2-13,15H,14,16H2,1H3,(H,35,37,38)/b24-13+
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n/an/a 2.70E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of PTPase activity in rat hepatic membrane at a concentration of 50 uM using pNPP as the substrate


J Med Chem 43: 995-1010 (2000)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50085966
PNG
(2-(3-(4-Fluoro-phenyl)-3-{3-[5-methyl-2-(4-trifluo...)
Show SMILES Cc1oc(nc1COc1cccc(c1)C(=C\Cn1oc(=O)[nH]c1=O)\c1ccc(F)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H21F4N3O5/c1-17-25(34-26(40-17)19-5-9-21(10-6-19)29(31,32)33)16-39-23-4-2-3-20(15-23)24(18-7-11-22(30)12-8-18)13-14-36-27(37)35-28(38)41-36/h2-13,15H,14,16H2,1H3,(H,35,37,38)/b24-13+
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n/an/a 2.80E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of PTPase activity in rat hepatic membrane at a concentration of 50 uM using pNPP as the substrate


J Med Chem 43: 995-1010 (2000)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50085961
PNG
(2-{3-[3-(2-Butyl-benzofuran-3-ylmethoxy)-phenyl]-b...)
Show SMILES CCCCc1oc2ccccc2c1COc1cccc(c1)C(\C)=C\Cn1oc(=O)[nH]c1=O
Show InChI InChI=1S/C25H26N2O5/c1-3-4-11-23-21(20-10-5-6-12-22(20)31-23)16-30-19-9-7-8-18(15-19)17(2)13-14-27-24(28)26-25(29)32-27/h5-10,12-13,15H,3-4,11,14,16H2,1-2H3,(H,26,28,29)/b17-13+
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n/an/a 3.30E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of PTPase activity in rat hepatic membrane at a concentration of 50 uM using pNPP as the substrate


J Med Chem 43: 995-1010 (2000)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50085957
PNG
(2-(3-{2-[5-Methyl-2-(4-trifluoromethyl-phenyl)-oxa...)
Show SMILES C\C(=C/Cn1oc(=O)[nH]c1=O)c1ccccc1OCc1nc(oc1C)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H20F3N3O5/c1-14(11-12-30-22(31)29-23(32)35-30)18-5-3-4-6-20(18)33-13-19-15(2)34-21(28-19)16-7-9-17(10-8-16)24(25,26)27/h3-11H,12-13H2,1-2H3,(H,29,31,32)/b14-11+
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n/an/a 4.30E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of PTPase activity using recombinant r-PTP1B as the enzyme and IR-triphosphopeptide as substrate


J Med Chem 43: 995-1010 (2000)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50085964
PNG
(5-(3-{3-[5-Methyl-2-(4-trifluoromethoxy-phenyl)-ox...)
Show SMILES C\C(=C/Cc1oc(=O)[nH]c1O)c1cccc(OCc2nc(oc2C)-c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C25H21F3N2O6/c1-14(6-11-21-22(31)30-24(32)35-21)17-4-3-5-19(12-17)33-13-20-15(2)34-23(29-20)16-7-9-18(10-8-16)36-25(26,27)28/h3-10,12,31H,11,13H2,1-2H3,(H,30,32)/b14-6+
PDB
MMDB

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AffyNet 
PubMed
n/an/a 4.60E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of PTPase activity using recombinant r-PTP1B as the enzyme and IR-triphosphopeptide as substrate


J Med Chem 43: 995-1010 (2000)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Rattus norvegicus (rat))
BDBM50085940
PNG
(2-(2-Methyl-3-{3-[5-methyl-2-(4-trifluoromethyl-ph...)
Show SMILES C\C(Cn1oc(=O)[nH]c1=O)=C/c1cccc(OCc2nc(oc2C)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C24H20F3N3O5/c1-14(12-30-22(31)29-23(32)35-30)10-16-4-3-5-19(11-16)33-13-20-15(2)34-21(28-20)17-6-8-18(9-7-17)24(25,26)27/h3-11H,12-13H2,1-2H3,(H,29,31,32)/b14-10+
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Similars

AffyNet 
PubMed
n/an/a 7.10E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of PTPase activity in rat hepatic membrane at a concentration of 50 uM using pNPP as the substrate


J Med Chem 43: 995-1010 (2000)

More data for this
Ligand-Target Pair