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PubMed code 16386905

Compile data set for download or QSAR
Found 35 hits of Enzyme Inhibition Constant Data   
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
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(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 |r|
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)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13529
PNG
(N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfamic acid...)
Show SMILES Cn1nc(cc1NS(O)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C10H11N3O3S/c1-13-10(12-17(14,15)16)7-9(11-13)8-5-3-2-4-6-8/h2-7,12H,1H3,(H,14,15,16)
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>5.00E+5n/an/an/an/an/an/an/an/a



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)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13462
PNG
(3-{3-[(3S)-3-(methylcarbamoyl)-7-(sulfoamino)-1,2,...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1cccc(c1)C(O)=O |r|
Show InChI InChI=1S/C21H23N3O7S/c1-22-20(26)18-11-14-6-7-17(23-32(29,30)31)10-16(14)12-24(18)19(25)8-5-13-3-2-4-15(9-13)21(27)28/h2-4,6-7,9-10,18,23H,5,8,11-12H2,1H3,(H,22,26)(H,27,28)(H,29,30,31)/t18-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



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)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13461
PNG
(N-[(3S)-3-(methylcarbamoyl)-2-{3-[3-(sulfoamino)ph...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1cccc(NS(O)(=O)=O)c1 |r|
Show InChI InChI=1S/C20H24N4O8S2/c1-21-20(26)18-11-14-6-7-17(23-34(30,31)32)10-15(14)12-24(18)19(25)8-5-13-3-2-4-16(9-13)22-33(27,28)29/h2-4,6-7,9-10,18,22-23H,5,8,11-12H2,1H3,(H,21,26)(H,27,28,29)(H,30,31,32)/t18-/m0/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



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)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13452
PNG
(N-[(3S)-2-[(tert-butoxy)carbonyl]-3-(3-methyl-1,2,...)
Show SMILES Cc1noc(n1)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C17H22N4O6S/c1-10-18-15(27-19-10)14-8-11-5-6-13(20-28(23,24)25)7-12(11)9-21(14)16(22)26-17(2,3)4/h5-7,14,20H,8-9H2,1-4H3,(H,23,24,25)/t14-/m0/s1
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n/an/a 8.23E+3n/an/an/an/an/an/a



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
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13451
PNG
(N-[(3S)-2-[(tert-butoxy)carbonyl]-3-[(2-methylprop...)
Show SMILES CC(C)COC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C19H28N2O7S/c1-12(2)11-27-17(22)16-9-13-6-7-15(20-29(24,25)26)8-14(13)10-21(16)18(23)28-19(3,4)5/h6-8,12,16,20H,9-11H2,1-5H3,(H,24,25,26)/t16-/m0/s1
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n/an/a 1.67E+4n/an/an/an/an/an/a



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 (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13450
PNG
(N-[(3S)-2-[(tert-butoxy)carbonyl]-3-(methoxycarbon...)
Show SMILES COC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C16H22N2O7S/c1-16(2,3)25-15(20)18-9-11-7-12(17-26(21,22)23)6-5-10(11)8-13(18)14(19)24-4/h5-7,13,17H,8-9H2,1-4H3,(H,21,22,23)/t13-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



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 (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13446
PNG
(Tetrahydroisoquinoline (TIQ) deriv. 8m | ammonium ...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)C=Cc1coc2ccccc12 |r,w:21.22|
Show InChI InChI=1S/C22H21N3O6S/c1-23-22(27)19-11-14-6-8-17(24-32(28,29)30)10-16(14)12-25(19)21(26)9-7-15-13-31-20-5-3-2-4-18(15)20/h2-10,13,19,24H,11-12H2,1H3,(H,23,27)(H,28,29,30)/p-1/t19-/m0/s1
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n/an/a 2.49E+4n/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
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13464
PNG
(N-(3-{3-oxo-3-[7-(sulfoamino)-1,2,3,4-tetrahydrois...)
Show SMILES OS(=O)(=O)Nc1cccc(CCC(=O)N2CCc3ccc(NS(O)(=O)=O)cc3C2)c1
Show InChI InChI=1S/C18H21N3O7S2/c22-18(7-4-13-2-1-3-16(10-13)19-29(23,24)25)21-9-8-14-5-6-17(11-15(14)12-21)20-30(26,27)28/h1-3,5-6,10-11,19-20H,4,7-9,12H2,(H,23,24,25)(H,26,27,28)
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n/an/a 2.60E+4n/an/an/an/an/an/a



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
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13463
PNG
(N-{3-[2-({[3-(sulfoamino)phenyl]methyl}carbamoyl)e...)
Show SMILES OS(=O)(=O)Nc1cccc(CCC(=O)NCc2cccc(NS(O)(=O)=O)c2)c1
Show InChI InChI=1S/C16H19N3O7S2/c20-16(8-7-12-3-1-5-14(9-12)18-27(21,22)23)17-11-13-4-2-6-15(10-13)19-28(24,25)26/h1-6,9-10,18-19H,7-8,11H2,(H,17,20)(H,21,22,23)(H,24,25,26)
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n/an/a 3.35E+4n/an/an/an/an/an/a



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)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13445
PNG
(Tetrahydroisoquinoline (TIQ) deriv. 8l | ammonium ...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)CCc1coc2ccccc12 |r|
Show InChI InChI=1S/C22H23N3O6S/c1-23-22(27)19-11-14-6-8-17(24-32(28,29)30)10-16(14)12-25(19)21(26)9-7-15-13-31-20-5-3-2-4-18(15)20/h2-6,8,10,13,19,24H,7,9,11-12H2,1H3,(H,23,27)(H,28,29,30)/p-1/t19-/m0/s1
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n/an/a 3.67E+4n/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
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13444
PNG
(Tetrahydroisoquinoline (TIQ) deriv. 8k | ammonium ...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C19H21N3O6S/c1-20-18(23)17-10-14-7-8-16(21-29(25,26)27)9-15(14)11-22(17)19(24)28-12-13-5-3-2-4-6-13/h2-9,17,21H,10-12H2,1H3,(H,20,23)(H,25,26,27)/p-1/t17-/m0/s1
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n/an/a 3.70E+4n/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 (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13431
PNG
(CHEMBL204336 | N-{4-[(2S)-2-{[(tert-butoxy)carbony...)
Show SMILES CNC(=O)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C15H23N3O6S/c1-15(2,3)24-14(20)17-12(13(19)16-4)9-10-5-7-11(8-6-10)18-25(21,22)23/h5-8,12,18H,9H2,1-4H3,(H,16,19)(H,17,20)(H,21,22,23)/t12-/m0/s1
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n/an/a 3.96E+4n/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
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(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 |r|
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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n/an/a 4.25E+4n/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)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13449
PNG
(N-[(3S)-2-[(tert-butoxy)carbonyl]-3-[(2-phenylethy...)
Show SMILES CC(C)(C)OC(=O)N1Cc2cc(NS(O)(=O)=O)ccc2C[C@H]1C(=O)NCCc1ccccc1 |r|
Show InChI InChI=1S/C23H29N3O6S/c1-23(2,3)32-22(28)26-15-18-13-19(25-33(29,30)31)10-9-17(18)14-20(26)21(27)24-12-11-16-7-5-4-6-8-16/h4-10,13,20,25H,11-12,14-15H2,1-3H3,(H,24,27)(H,29,30,31)/t20-/m0/s1
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n/an/a 5.14E+4n/an/an/an/an/an/a



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 (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13443
PNG
(Tetrahydroisoquinoline (TIQ) deriv. 8j | ammonium ...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)CCc1ccccc1 |r|
Show InChI InChI=1S/C20H23N3O5S/c1-21-20(25)18-12-15-8-9-17(22-29(26,27)28)11-16(15)13-23(18)19(24)10-7-14-5-3-2-4-6-14/h2-6,8-9,11,18,22H,7,10,12-13H2,1H3,(H,21,25)(H,26,27,28)/p-1/t18-/m0/s1
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n/an/a 6.44E+4n/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 (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13460
PNG
(N-[(3S)-2-[3-(3-hydroxyphenyl)propanoyl]-3-(methyl...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1cccc(O)c1 |r|
Show InChI InChI=1S/C20H23N3O6S/c1-21-20(26)18-11-14-6-7-16(22-30(27,28)29)10-15(14)12-23(18)19(25)8-5-13-3-2-4-17(24)9-13/h2-4,6-7,9-10,18,22,24H,5,8,11-12H2,1H3,(H,21,26)(H,27,28,29)/t18-/m0/s1
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n/an/a 8.21E+4n/an/an/an/an/an/a



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 (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13442
PNG
(Tetrahydroisoquinoline (TIQ) deriv. 8i | ammonium ...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)CCOc1ccccc1 |r|
Show InChI InChI=1S/C20H23N3O6S/c1-21-20(25)18-12-14-7-8-16(22-30(26,27)28)11-15(14)13-23(18)19(24)9-10-29-17-5-3-2-4-6-17/h2-8,11,18,22H,9-10,12-13H2,1H3,(H,21,25)(H,26,27,28)/p-1/t18-/m0/s1
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n/an/a 8.36E+4n/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 (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13459
PNG
(N-[(3S)-2-{2-[3-hydroxy-2-(methoxycarbonyl)phenoxy...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)COc1cccc(O)c1C(=O)OC |r|
Show InChI InChI=1S/C21H23N3O9S/c1-22-20(27)15-9-12-6-7-14(23-34(29,30)31)8-13(12)10-24(15)18(26)11-33-17-5-3-4-16(25)19(17)21(28)32-2/h3-8,15,23,25H,9-11H2,1-2H3,(H,22,27)(H,29,30,31)/t15-/m0/s1
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n/an/a 9.34E+4n/an/an/an/an/an/a



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
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13441
PNG
(Tetrahydroisoquinoline (TIQ) deriv. 8h | ammonium ...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)COc1ccccc1 |r|
Show InChI InChI=1S/C19H21N3O6S/c1-20-19(24)17-10-13-7-8-15(21-29(25,26)27)9-14(13)11-22(17)18(23)12-28-16-5-3-2-4-6-16/h2-9,17,21H,10-12H2,1H3,(H,20,24)(H,25,26,27)/p-1/t17-/m0/s1
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n/an/a 9.53E+4n/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
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13458
PNG
(N-[(3S)-2-[3-(3-chlorophenyl)propanoyl]-3-(methylc...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H22ClN3O5S/c1-22-20(26)18-11-14-6-7-17(23-30(27,28)29)10-15(14)12-24(18)19(25)8-5-13-3-2-4-16(21)9-13/h2-4,6-7,9-10,18,23H,5,8,11-12H2,1H3,(H,22,26)(H,27,28,29)/t18-/m0/s1
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n/an/a 1.01E+5n/an/an/an/an/an/a



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 (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13448
PNG
(N-[(3S)-3-(benzylcarbamoyl)-2-[(tert-butoxy)carbon...)
Show SMILES CC(C)(C)OC(=O)N1Cc2cc(NS(O)(=O)=O)ccc2C[C@H]1C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C22H27N3O6S/c1-22(2,3)31-21(27)25-14-17-11-18(24-32(28,29)30)10-9-16(17)12-19(25)20(26)23-13-15-7-5-4-6-8-15/h4-11,19,24H,12-14H2,1-3H3,(H,23,26)(H,28,29,30)/t19-/m0/s1
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n/an/a 1.20E+5n/an/an/an/an/an/a



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 (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13440
PNG
(Tetrahydroisoquinoline (TIQ) deriv. 8g | ammonium ...)
Show SMILES CNC(=O)[C@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)OC(C)(C)C |r|
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)/p-1/t13-/m1/s1
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n/an/a 1.35E+5n/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
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13457
PNG
(N-[(3S)-3-(methylcarbamoyl)-2-{3-[3-(trifluorometh...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3N3O5S/c1-25-20(29)18-11-14-6-7-17(26-33(30,31)32)10-15(14)12-27(18)19(28)8-5-13-3-2-4-16(9-13)21(22,23)24/h2-4,6-7,9-10,18,26H,5,8,11-12H2,1H3,(H,25,29)(H,30,31,32)/t18-/m0/s1
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n/an/a 1.46E+5n/an/an/an/an/an/a



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 (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13439
PNG
(Tetrahydroisoquinoline (TIQ) deriv. 8f | ammonium ...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)CCCCc1ccccc1 |r|
Show InChI InChI=1S/C22H27N3O5S/c1-23-22(27)20-14-17-11-12-19(24-31(28,29)30)13-18(17)15-25(20)21(26)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-13,20,24H,5-6,9-10,14-15H2,1H3,(H,23,27)(H,28,29,30)/p-1/t20-/m0/s1
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n/an/a 1.48E+5n/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 (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13438
PNG
(Tetrahydroisoquinoline (TIQ) deriv. 8e | ammonium ...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)CCC(O)=O |r|
Show InChI InChI=1S/C15H19N3O7S/c1-16-15(22)12-7-9-2-3-11(17-26(23,24)25)6-10(9)8-18(12)13(19)4-5-14(20)21/h2-3,6,12,17H,4-5,7-8H2,1H3,(H,16,22)(H,20,21)(H,23,24,25)/p-1/t12-/m0/s1
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n/an/a 1.54E+5n/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 (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13437
PNG
(Tetrahydroisoquinoline (TIQ) deriv. 8d | ammonium ...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C19H22N4O5S/c1-20-18(24)17-10-14-7-8-16(22-29(26,27)28)9-15(14)12-23(17)19(25)21-11-13-5-3-2-4-6-13/h2-9,17,22H,10-12H2,1H3,(H,20,24)(H,21,25)(H,26,27,28)/p-1/t17-/m0/s1
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n/an/a 1.64E+5n/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 (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13456
PNG
(N-[(3S)-2-{3-[3-methanesulfonamido-5-(trifluoromet...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1cc(NS(C)(=O)=O)cc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C22H25F3N4O7S2/c1-26-21(31)19-10-14-4-5-17(28-38(34,35)36)9-15(14)12-29(19)20(30)6-3-13-7-16(22(23,24)25)11-18(8-13)27-37(2,32)33/h4-5,7-9,11,19,27-28H,3,6,10,12H2,1-2H3,(H,26,31)(H,34,35,36)/t19-/m0/s1
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n/an/a 1.84E+5n/an/an/an/an/an/a



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 (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13455
PNG
(N-[(3S)-3-(methylcarbamoyl)-2-[3-(4-methylphenyl)p...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1ccc(C)cc1 |r|
Show InChI InChI=1S/C21H25N3O5S/c1-14-3-5-15(6-4-14)7-10-20(25)24-13-17-11-18(23-30(27,28)29)9-8-16(17)12-19(24)21(26)22-2/h3-6,8-9,11,19,23H,7,10,12-13H2,1-2H3,(H,22,26)(H,27,28,29)/t19-/m0/s1
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n/an/a 1.98E+5n/an/an/an/an/an/a



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 (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13454
PNG
(N-[(3S)-3-(methylcarbamoyl)-2-{3-[4-(trifluorometh...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3N3O5S/c1-25-20(29)18-11-14-5-8-17(26-33(30,31)32)10-15(14)12-27(18)19(28)9-4-13-2-6-16(7-3-13)21(22,23)24/h2-3,5-8,10,18,26H,4,9,11-12H2,1H3,(H,25,29)(H,30,31,32)/t18-/m0/s1
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n/an/a 2.25E+5n/an/an/an/an/an/a



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 (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13453
PNG
(N-[(3S)-2-[3-(4-methoxyphenyl)propanoyl]-3-(methyl...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1ccc(OC)cc1 |r|
Show InChI InChI=1S/C21H25N3O6S/c1-22-21(26)19-12-15-6-7-17(23-31(27,28)29)11-16(15)13-24(19)20(25)10-5-14-3-8-18(30-2)9-4-14/h3-4,6-9,11,19,23H,5,10,12-13H2,1-2H3,(H,22,26)(H,27,28,29)/t19-/m0/s1
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n/an/a 2.42E+5n/an/an/an/an/an/a



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 (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13436
PNG
(Tetrahydroisoquinoline (TIQ) deriv. 8c | ammonium ...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)CCCc1ccccc1 |r|
Show InChI InChI=1S/C21H25N3O5S/c1-22-21(26)19-13-16-10-11-18(23-30(27,28)29)12-17(16)14-24(19)20(25)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-12,19,23H,5,8-9,13-14H2,1H3,(H,22,26)(H,27,28,29)/p-1/t19-/m0/s1
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n/an/a 2.71E+5n/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 (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13435
PNG
(Tetrahydroisoquinoline (TIQ) deriv. 8b | ammonium ...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C18H19N3O5S/c1-19-17(22)16-10-13-7-8-15(20-27(24,25)26)9-14(13)11-21(16)18(23)12-5-3-2-4-6-12/h2-9,16,20H,10-11H2,1H3,(H,19,22)(H,24,25,26)/p-1/t16-/m0/s1
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n/an/a 2.86E+5n/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 (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13434
PNG
(Tetrahydroisoquinoline (TIQ) deriv. 8a | ammonium ...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C25H32N4O7S/c1-25(2,3)36-23(31)20(12-16-8-6-5-7-9-16)27-24(32)29-15-18-13-19(28-37(33,34)35)11-10-17(18)14-21(29)22(30)26-4/h5-11,13,20-21,28H,12,14-15H2,1-4H3,(H,26,30)(H,27,32)(H,33,34,35)/p-1/t20-,21-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem

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PubMed
n/an/a>5.00E+5n/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
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13447
PNG
(N-[(3S)-2-[(tert-butoxy)carbonyl]-3-(hydroxymethyl...)
Show SMILES CC(C)(C)OC(=O)N1Cc2cc(NS(O)(=O)=O)ccc2C[C@H]1CO |r|
Show InChI InChI=1S/C15H22N2O6S/c1-15(2,3)23-14(19)17-8-11-6-12(16-24(20,21)22)5-4-10(11)7-13(17)9-18/h4-6,13,16,18H,7-9H2,1-3H3,(H,20,21,22)/t13-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>5.00E+5n/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 (docked)
* indicates data uncertainty>20%