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Compile Data Set for Download or QSAR

Found 132 hits of ic50 for UniProtKB: P18031   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13467
PNG
((2R)-2-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...)
Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@@H](NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C22H23F4N3O11P2/c23-21(24,41(35,36)37)13-5-1-11(2-6-13)9-15(18(27)31)28-19(32)17(20(33)34)29-16(30)10-12-3-7-14(8-4-12)22(25,26)42(38,39)40/h1-8,15,17H,9-10H2,(H2,27,31)(H,28,32)(H,29,30)(H,33,34)(H2,35,36,37)(H2,38,39,40)/t15-,17+/m0/s1
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n/an/a 0.400n/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
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13469
PNG
(({4-[(2S)-2-carbamoyl-2-[(2S)-2-(1-{4-[difluoro(ph...)
Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r|
Show InChI InChI=1S/C28H29F4N3O9P2/c29-27(30,45(39,40)41)20-10-6-18(7-11-20)14-22(25(33)37)35-26(38)23(15-17-4-2-1-3-5-17)34-24(36)16-19-8-12-21(13-9-19)28(31,32)46(42,43)44/h1-13,22-23H,14-16H2,(H2,33,37)(H,34,36)(H,35,38)(H2,39,40,41)(H2,42,43,44)/t22-,23-/m0/s1
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n/an/a 1.70n/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)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


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


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


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


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


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


(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



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


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


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


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


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


(Homo sapiens (Human))		BDBM13507
PNG
(Isothiazolidinone (IZD) deriv. 43 | N-[(1S)-1-(1H-...)
Show SMILES O=C1CC(c2ccc(C[C@H](NS(=O)(=O)c3ccccc3)c3nc4ccccc4[nH]3)cc2C#N)S(=O)(=O)N1 |r|
Show InChI InChI=1S/C25H21N5O5S2/c26-15-17-12-16(10-11-19(17)23-14-24(31)30-37(23,34)35)13-22(25-27-20-8-4-5-9-21(20)28-25)29-36(32,33)18-6-2-1-3-7-18/h1-12,22-23,29H,13-14H2,(H,27,28)(H,30,31)/t22-,23?/m0/s1
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n/an/a 31n/an/an/an/an/an/a



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


(Homo sapiens (Human))		BDBM13508
PNG
(Isothiazolidinone (IZD) deriv. 44 | N-[(1S)-1-(1H-...)
Show SMILES Fc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)NS1(=O)=O |r|
Show InChI InChI=1S/C24H21FN4O5S2/c25-18-12-15(10-11-17(18)22-14-23(30)29-36(22,33)34)13-21(24-26-19-8-4-5-9-20(19)27-24)28-35(31,32)16-6-2-1-3-7-16/h1-12,21-22,28H,13-14H2,(H,26,27)(H,29,30)/t21-,22?/m0/s1
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n/an/a 34n/an/an/an/an/an/a



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


(Homo sapiens (Human))		BDBM14269
PNG
((S)-isothiazolidinone | IZD deriv. 2 | N-[(1S)-1-(...)
Show SMILES Cc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1[C@@H]1CC(=O)NS1(=O)=O |r|
Show InChI InChI=1S/C25H24N4O5S2/c1-16-13-17(11-12-19(16)23-15-24(30)29-36(23,33)34)14-22(25-26-20-9-5-6-10-21(20)27-25)28-35(31,32)18-7-3-2-4-8-18/h2-13,22-23,28H,14-15H2,1H3,(H,26,27)(H,29,30)/t22-,23-/m0/s1
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n/an/a 35n/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...

Bioorg Med Chem Lett 17: 736-40 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.079
BindingDB Entry DOI: 10.7270/Q20R9MM4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM14268
PNG
((2S)-N-[(1S)-1-(1H-1,3-benzodiazol-2-yl)-2-{4-[(5S...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C29H29N5O5S/c1-18(35)30-25(16-19-7-3-2-4-8-19)29(37)33-24(28-31-22-9-5-6-10-23(22)32-28)15-20-11-13-21(14-12-20)26-17-27(36)34-40(26,38)39/h2-14,24-26H,15-17H2,1H3,(H,30,35)(H,31,32)(H,33,37)(H,34,36)/t24-,25-,26-/m0/s1
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n/an/a 35n/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...

Bioorg Med Chem Lett 17: 736-40 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.079
BindingDB Entry DOI: 10.7270/Q20R9MM4
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


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


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


(Homo sapiens (Human))		BDBM13493
PNG
(Isothiazolidinone (IZD) deriv. 29 | N-[(1S)-1-(1H-...)
Show SMILES FC(F)(F)c1cc(ccc1Br)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C25H20BrF3N4O5S2/c26-18-10-9-16(12-17(18)25(27,28)29)39(35,36)32-21(24-30-19-3-1-2-4-20(19)31-24)11-14-5-7-15(8-6-14)22-13-23(34)33-40(22,37)38/h1-10,12,21-22,32H,11,13H2,(H,30,31)(H,33,34)/t21-,22?/m0/s1
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n/an/a 40n/an/an/an/an/an/a



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


(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 |r|
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



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


(Homo sapiens (Human))		BDBM13470
PNG
(Difluoromethylphosphonic acid (DFMP) deriv. 9 | [(...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CCNC(=O)[C@H](Cc2ccccc2)NC(=O)Cc2ccc(cc2)C(F)(F)P(O)(O)=O)cc1 |r|
Show InChI InChI=1S/C27H28F4N2O8P2/c28-26(29,42(36,37)38)21-10-6-18(7-11-21)14-15-32-25(35)23(16-19-4-2-1-3-5-19)33-24(34)17-20-8-12-22(13-9-20)27(30,31)43(39,40)41/h1-13,23H,14-17H2,(H,32,35)(H,33,34)(H2,36,37,38)(H2,39,40,41)/t23-/m0/s1
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n/an/a 46n/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 (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13494
PNG
(Isothiazolidinone (IZD) deriv. 30 | N-[(1S)-1-(1H-...)
Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C24H20Cl2N4O5S2/c25-16-10-17(26)12-18(11-16)36(32,33)29-21(24-27-19-3-1-2-4-20(19)28-24)9-14-5-7-15(8-6-14)22-13-23(31)30-37(22,34)35/h1-8,10-12,21-22,29H,9,13H2,(H,27,28)(H,30,31)/t21-,22?/m0/s1
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n/an/a 51n/an/an/an/an/an/a



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


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


(Homo sapiens (Human))		BDBM13509
PNG
(Isothiazolidinone (IZD) deriv. 45 | N-[(1S)-1-(1H-...)
Show SMILES Cc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)NS1(=O)=O |r|
Show InChI InChI=1S/C25H24N4O5S2/c1-16-13-17(11-12-19(16)23-15-24(30)29-36(23,33)34)14-22(25-26-20-9-5-6-10-21(20)27-25)28-35(31,32)18-7-3-2-4-8-18/h2-13,22-23,28H,14-15H2,1H3,(H,26,27)(H,29,30)/t22-,23?/m0/s1
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n/an/a 59n/an/an/an/an/an/a



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


(Homo sapiens (Human))		BDBM13809
PNG
((2S)-N-[(1S)-1-carbamoyl-2-[4-(1,1,3-trioxo-2,3-di...)
Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C1=CC(=O)NS1(=O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(cc1)C1=CC(=O)NS1(=O)=O |r,t:12,44|
Show InChI InChI=1S/C32H29N5O9S2/c33-31(41)24(14-20-6-10-22(11-7-20)26-17-29(39)36-47(26,43)44)35-32(42)25(15-19-4-2-1-3-5-19)34-28(38)16-21-8-12-23(13-9-21)27-18-30(40)37-48(27,45)46/h1-13,17-18,24-25H,14-16H2,(H2,33,41)(H,34,38)(H,35,42)(H,36,39)(H,37,40)/t24-,25-/m0/s1
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n/an/a 65n/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: 32784-95 (2006)


Article DOI: 10.1074/jbc.M606873200
BindingDB Entry DOI: 10.7270/Q2GX48SD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13495
PNG
(Isothiazolidinone (IZD) deriv. 31 | N-[(1S)-1-(1H-...)
Show SMILES Fc1cccc(c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C24H21FN4O5S2/c25-17-4-3-5-18(13-17)35(31,32)28-21(24-26-19-6-1-2-7-20(19)27-24)12-15-8-10-16(11-9-15)22-14-23(30)29-36(22,33)34/h1-11,13,21-22,28H,12,14H2,(H,26,27)(H,29,30)/t21-,22?/m0/s1
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n/an/a 66n/an/an/an/an/an/a



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


(Homo sapiens (Human))		BDBM13510
PNG
(Isothiazolidinone (IZD) deriv. 46 | N-[(1S)-1-(1H-...)
Show SMILES Clc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)NS1(=O)=O |r|
Show InChI InChI=1S/C24H21ClN4O5S2/c25-18-12-15(10-11-17(18)22-14-23(30)29-36(22,33)34)13-21(24-26-19-8-4-5-9-20(19)27-24)28-35(31,32)16-6-2-1-3-7-16/h1-12,21-22,28H,13-14H2,(H,26,27)(H,29,30)/t21-,22?/m0/s1
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n/an/a 75n/an/an/an/an/an/a



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


(Homo sapiens (Human))		BDBM13496
PNG
(Isothiazolidinone (IZD) deriv. 32 | N-[(1S)-1-(1H-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C25H24N4O5S2/c1-16-6-12-19(13-7-16)35(31,32)28-22(25-26-20-4-2-3-5-21(20)27-25)14-17-8-10-18(11-9-17)23-15-24(30)29-36(23,33)34/h2-13,22-23,28H,14-15H2,1H3,(H,26,27)(H,29,30)/t22-,23?/m0/s1
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n/an/a 80n/an/an/an/an/an/a



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


(Homo sapiens (Human))		BDBM13497
PNG
(Isothiazolidinone (IZD) deriv. 33 | N-[(1S)-1-(1H-...)
Show SMILES Cc1cc(ccc1-c1ccccc1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C31H28N4O5S2/c1-20-17-24(15-16-25(20)22-7-3-2-4-8-22)41(37,38)34-28(31-32-26-9-5-6-10-27(26)33-31)18-21-11-13-23(14-12-21)29-19-30(36)35-42(29,39)40/h2-17,28-29,34H,18-19H2,1H3,(H,32,33)(H,35,36)/t28-,29?/m0/s1
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n/an/a 90n/an/an/an/an/an/a



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


(Homo sapiens (Human))		BDBM13498
PNG
(Isothiazolidinone (IZD) deriv. 34 | N-[(1S)-1-(1H-...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C27H28N4O5S2/c1-17(2)19-11-13-21(14-12-19)37(33,34)30-24(27-28-22-5-3-4-6-23(22)29-27)15-18-7-9-20(10-8-18)25-16-26(32)31-38(25,35)36/h3-14,17,24-25,30H,15-16H2,1-2H3,(H,28,29)(H,31,32)/t24-,25?/m0/s1
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n/an/a 100n/an/an/an/an/an/a



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


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


(Homo sapiens (Human))		BDBM13499
PNG
(Isothiazolidinone (IZD) deriv. 35 | N-[(1S)-1-(1H-...)
Show SMILES O=C1CC(c2ccc(C[C@H](NS(=O)(=O)c3cccc(Oc4ccccc4)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 |r|
Show InChI InChI=1S/C30H26N4O6S2/c35-29-19-28(42(38,39)34-29)21-15-13-20(14-16-21)17-27(30-31-25-11-4-5-12-26(25)32-30)33-41(36,37)24-10-6-9-23(18-24)40-22-7-2-1-3-8-22/h1-16,18,27-28,33H,17,19H2,(H,31,32)(H,34,35)/t27-,28?/m0/s1
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n/an/a 110n/an/an/an/an/an/a



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


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


(Homo sapiens (Human))		BDBM13511
PNG
(Isothiazolidinone (IZD) deriv. 47 | N-[(1S)-1-(1H-...)
Show SMILES O=C1CC(c2ccc(C[C@H](NS(=O)(=O)c3ccccc3)c3nc4ccccc4[nH]3)cc2C#C)S(=O)(=O)N1 |r|
Show InChI InChI=1S/C26H22N4O5S2/c1-2-18-14-17(12-13-20(18)24-16-25(31)30-37(24,34)35)15-23(26-27-21-10-6-7-11-22(21)28-26)29-36(32,33)19-8-4-3-5-9-19/h1,3-14,23-24,29H,15-16H2,(H,27,28)(H,30,31)/t23-,24?/m0/s1
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n/an/a 120n/an/an/an/an/an/a



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


(Homo sapiens (Human))		BDBM13501
PNG
(Isothiazolidinone (IZD) deriv. 37 | N-[(1S)-1-(1H-...)
Show SMILES O=C1CC(c2ccc(C[C@H](NS(=O)(=O)c3ccc(Oc4ccncc4)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 |r|
Show InChI InChI=1S/C29H25N5O6S2/c35-28-18-27(42(38,39)34-28)20-7-5-19(6-8-20)17-26(29-31-24-3-1-2-4-25(24)32-29)33-41(36,37)23-11-9-21(10-12-23)40-22-13-15-30-16-14-22/h1-16,26-27,33H,17-18H2,(H,31,32)(H,34,35)/t26-,27?/m0/s1
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n/an/a 120n/an/an/an/an/an/a



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


(Homo sapiens (Human))		BDBM13500
PNG
(Isothiazolidinone (IZD) deriv. 36 | N-[(1S)-1-(1H-...)
Show SMILES O=C1CC(c2ccc(C[C@H](NS(=O)(=O)c3ccccc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 |r|
Show InChI InChI=1S/C24H22N4O5S2/c29-23-15-22(35(32,33)28-23)17-12-10-16(11-13-17)14-21(24-25-19-8-4-5-9-20(19)26-24)27-34(30,31)18-6-2-1-3-7-18/h1-13,21-22,27H,14-15H2,(H,25,26)(H,28,29)/t21-,22?/m0/s1
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n/an/a 120n/an/an/an/an/an/a



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


(Homo sapiens (Human))		BDBM14289
PNG
(5-{4-[(2S)-2-(1,3-benzothiazol-2-ylamino)-2-[5-(tr...)
Show SMILES FC(F)(F)c1ccc2nc([nH]c2c1)[C@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)Nc1nc2ccccc2s1 |r|
Show InChI InChI=1S/C26H20F3N5O3S2/c27-26(28,29)16-9-10-17-19(12-16)31-24(30-17)20(33-25-32-18-3-1-2-4-21(18)38-25)11-14-5-7-15(8-6-14)22-13-23(35)34-39(22,36)37/h1-10,12,20,22H,11,13H2,(H,30,31)(H,32,33)(H,34,35)/t20-,22?/m0/s1
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n/an/a 150n/an/an/an/an/an/a



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...

Bioorg Med Chem Lett 17: 736-40 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.079
BindingDB Entry DOI: 10.7270/Q20R9MM4
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13502
PNG
(Isothiazolidinone (IZD) deriv. 38 | N-[(1S)-1-(1H-...)
Show SMILES Clc1ccccc1S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C24H21ClN4O5S2/c25-17-5-1-4-8-21(17)35(31,32)28-20(24-26-18-6-2-3-7-19(18)27-24)13-15-9-11-16(12-10-15)22-14-23(30)29-36(22,33)34/h1-12,20,22,28H,13-14H2,(H,26,27)(H,29,30)/t20-,22?/m0/s1
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n/an/a 160n/an/an/an/an/an/a



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


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


(Homo sapiens (Human))		BDBM13503
PNG
(Isothiazolidinone (IZD) deriv. 39 | N-[(1S)-1-(1H-...)
Show SMILES FC(F)(F)c1ccc(c(Br)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C25H20BrF3N4O5S2/c26-17-12-16(25(27,28)29)9-10-21(17)39(35,36)32-20(24-30-18-3-1-2-4-19(18)31-24)11-14-5-7-15(8-6-14)22-13-23(34)33-40(22,37)38/h1-10,12,20,22,32H,11,13H2,(H,30,31)(H,33,34)/t20-,22?/m0/s1
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n/an/a 170n/an/an/an/an/an/a



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


(Homo sapiens (Human))		BDBM13512
PNG
(Isothiazolidinone (IZD) deriv. 48 | N-[(1S)-1-(1H-...)
Show SMILES Brc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)NS1(=O)=O |r|
Show InChI InChI=1S/C24H21BrN4O5S2/c25-18-12-15(10-11-17(18)22-14-23(30)29-36(22,33)34)13-21(24-26-19-8-4-5-9-20(19)27-24)28-35(31,32)16-6-2-1-3-7-16/h1-12,21-22,28H,13-14H2,(H,26,27)(H,29,30)/t21-,22?/m0/s1
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n/an/a 170n/an/an/an/an/an/a



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


(Homo sapiens (Human))		BDBM13808
PNG
((2S)-N-[(1S)-1-carbamoyl-2-[4-(1,1,3-trioxo-1,2-th...)
Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C28H28N4O6S/c29-26(34)22(15-19-11-13-20(14-12-19)24-17-25(33)32-39(24,37)38)30-28(36)23(16-18-7-3-1-4-8-18)31-27(35)21-9-5-2-6-10-21/h1-14,22-24H,15-17H2,(H2,29,34)(H,30,36)(H,31,35)(H,32,33)/t22-,23-,24?/m0/s1
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n/an/a 185n/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: 32784-95 (2006)


Article DOI: 10.1074/jbc.M606873200
BindingDB Entry DOI: 10.7270/Q2GX48SD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13465
PNG
((2S)-N-[(1S)-1-carbamoyl-2-{4-[(5S)-1,1,3-trioxo-1...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)C(N)=O |r|
Show InChI InChI=1S/C23H26N4O6S/c1-14(28)25-19(12-15-5-3-2-4-6-15)23(31)26-18(22(24)30)11-16-7-9-17(10-8-16)20-13-21(29)27-34(20,32)33/h2-10,18-20H,11-13H2,1H3,(H2,24,30)(H,25,28)(H,26,31)(H,27,29)/t18-,19-,20-/m0/s1
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n/an/a 190n/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)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13465
PNG
((2S)-N-[(1S)-1-carbamoyl-2-{4-[(5S)-1,1,3-trioxo-1...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)C(N)=O |r|
Show InChI InChI=1S/C23H26N4O6S/c1-14(28)25-19(12-15-5-3-2-4-6-15)23(31)26-18(22(24)30)11-16-7-9-17(10-8-16)20-13-21(29)27-34(20,32)33/h2-10,18-20H,11-13H2,1H3,(H2,24,30)(H,25,28)(H,26,31)(H,27,29)/t18-,19-,20-/m0/s1
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n/an/a 190n/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: 32784-95 (2006)


Article DOI: 10.1074/jbc.M606873200
BindingDB Entry DOI: 10.7270/Q2GX48SD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13490
PNG
(Isothiazolidinone (IZD) deriv. 26 | N-[(1S)-1-(1H-...)
Show SMILES FC(F)(C(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1)c1ccccc1 |r|
Show InChI InChI=1S/C26H22F2N4O4S/c27-26(28,18-6-2-1-3-7-18)25(34)31-21(24-29-19-8-4-5-9-20(19)30-24)14-16-10-12-17(13-11-16)22-15-23(33)32-37(22,35)36/h1-13,21-22H,14-15H2,(H,29,30)(H,31,34)(H,32,33)/t21-,22?/m0/s1
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n/an/a 200n/an/an/an/an/an/a



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


(Homo sapiens (Human))		BDBM13504
PNG
(Isothiazolidinone (IZD) deriv. 40 | N-[(1S)-1-(1H-...)
Show SMILES FC(F)(F)c1ccc(c(c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1)C(F)(F)F |r|
Show InChI InChI=1S/C26H20F6N4O5S2/c27-25(28,29)16-9-10-17(26(30,31)32)22(12-16)43(40,41)35-20(24-33-18-3-1-2-4-19(18)34-24)11-14-5-7-15(8-6-14)21-13-23(37)36-42(21,38)39/h1-10,12,20-21,35H,11,13H2,(H,33,34)(H,36,37)/t20-,21?/m0/s1
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n/an/a 210n/an/an/an/an/an/a



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


(Homo sapiens (Human))		BDBM13807
PNG
((2S)-N-[(1S)-1-carbamoyl-2-[4-(1,1,3-trioxo-1,2-th...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)C(N)=O |r|
Show InChI InChI=1S/C23H26N4O6S/c1-14(28)25-19(12-15-5-3-2-4-6-15)23(31)26-18(22(24)30)11-16-7-9-17(10-8-16)20-13-21(29)27-34(20,32)33/h2-10,18-20H,11-13H2,1H3,(H2,24,30)(H,25,28)(H,26,31)(H,27,29)/t18-,19-,20?/m0/s1
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n/an/a 210n/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: 32784-95 (2006)


Article DOI: 10.1074/jbc.M606873200
BindingDB Entry DOI: 10.7270/Q2GX48SD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))		BDBM13505
PNG
(Isothiazolidinone (IZD) deriv. 41 | N-[(1S)-1-(1H-...)
Show SMILES FC(F)(F)c1ccc(Oc2cccc(c2)S(=O)(=O)N[C@@H](Cc2ccc(cc2)C2CC(=O)NS2(=O)=O)c2nc3ccccc3[nH]2)cc1 |r|
Show InChI InChI=1S/C31H25F3N4O6S2/c32-31(33,34)21-12-14-22(15-13-21)44-23-4-3-5-24(17-23)45(40,41)37-27(30-35-25-6-1-2-7-26(25)36-30)16-19-8-10-20(11-9-19)28-18-29(39)38-46(28,42)43/h1-15,17,27-28,37H,16,18H2,(H,35,36)(H,38,39)/t27-,28?/m0/s1
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n/an/a 220n/an/an/an/an/an/a



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


(Homo sapiens (Human))		BDBM14292
PNG
(5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-(1,3-benz...)
Show SMILES Fc1cc(C[C@H](Nc2nc3ccccc3s2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)NS1(=O)=O |r|
Show InChI InChI=1S/C25H20FN5O3S2/c26-16-11-14(9-10-15(16)22-13-23(32)31-36(22,33)34)12-20(24-27-17-5-1-2-6-18(17)28-24)30-25-29-19-7-3-4-8-21(19)35-25/h1-11,20,22H,12-13H2,(H,27,28)(H,29,30)(H,31,32)/t20-,22?/m0/s1
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n/an/a 230n/an/an/an/an/an/a



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...

Bioorg Med Chem Lett 17: 736-40 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.079
BindingDB Entry DOI: 10.7270/Q20R9MM4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(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 |r|
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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UniChem

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Article
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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)
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