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PubMed code 17028182

Compile data set for download or QSAR
Found 47 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
Protein-Tyrosine Phosphatase 1B (PTP1B)


(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
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
Protein-Tyrosine Phosphatase 1B (PTP1B)


(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
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)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(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
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



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


J Biol Chem 281: 38013-21 (2006)


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


(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
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



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


J Biol Chem 281: 38013-21 (2006)


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


(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
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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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
Protein-Tyrosine Phosphatase 1B (PTP1B)


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



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


J Biol Chem 281: 38013-21 (2006)


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


(Homo sapiens (human))
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
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



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


J Biol Chem 281: 38013-21 (2006)


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


(Homo sapiens (human))
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
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



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


J Biol Chem 281: 38013-21 (2006)


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


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



Incyte Corporation



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


J Biol Chem 281: 38013-21 (2006)


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


(Homo sapiens (human))
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
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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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
Protein-Tyrosine Phosphatase 1B (PTP1B)


(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
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



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


J Biol Chem 281: 38013-21 (2006)


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


(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
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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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
Protein-Tyrosine Phosphatase 1B (PTP1B)


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


J Biol Chem 281: 38013-21 (2006)


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


(Homo sapiens (human))
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
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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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
Protein-Tyrosine Phosphatase 1B (PTP1B)


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


J Biol Chem 281: 38013-21 (2006)


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


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


J Biol Chem 281: 38013-21 (2006)


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


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



Incyte Corporation



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


J Biol Chem 281: 38013-21 (2006)


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


(Homo sapiens (human))
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
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)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(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
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



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


J Biol Chem 281: 38013-21 (2006)


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


(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
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



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


J Biol Chem 281: 38013-21 (2006)


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


(Homo sapiens (human))
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
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



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


J Biol Chem 281: 38013-21 (2006)


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


(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
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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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
Protein-Tyrosine Phosphatase 1B (PTP1B)


(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
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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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
Protein-Tyrosine Phosphatase 1B (PTP1B)


(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
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)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(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
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)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(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
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
Protein-Tyrosine Phosphatase 1B (PTP1B)


(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
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)
Protein-Tyrosine Phosphatase 1B (PTP1B)


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



Incyte Corporation



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


J Biol Chem 281: 38013-21 (2006)


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


(Homo sapiens (human))
BDBM13506
PNG
(Isothiazolidinone (IZD) deriv. 42 | N-[(1S)-1-(1H-...)
Show SMILES Cc1ccccc1S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H24N4O5S2/c1-16-6-2-5-9-22(16)35(31,32)28-21(25-26-19-7-3-4-8-20(19)27-25)14-17-10-12-18(13-11-17)23-15-24(30)29-36(23,33)34/h2-13,21,23,28H,14-15H2,1H3,(H,26,27)(H,29,30)/t21-,23?/m0/s1
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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)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13489
PNG
(Isothiazolidinone (IZD) deriv. 25 | N-[(1S)-1-(1H-...)
Show SMILES CC(F)(F)C(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C21H20F2N4O4S/c1-21(22,23)20(29)26-16(19-24-14-4-2-3-5-15(14)25-19)10-12-6-8-13(9-7-12)17-11-18(28)27-32(17,30)31/h2-9,16-17H,10-11H2,1H3,(H,24,25)(H,26,29)(H,27,28)/t16-,17?/m0/s1
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Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


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


(Homo sapiens (human))
BDBM13483
PNG
((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-{[6-...)
Show SMILES FC(F)(F)c1ccc2nc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)sc2c1
Show InChI InChI=1S/C26H20F3N5O3S2/c27-26(28,29)16-9-10-19-21(12-16)38-25(32-19)33-20(24-30-17-3-1-2-4-18(17)31-24)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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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
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13484
PNG
((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(6-...)
Show SMILES COc1ccc2nc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)sc2c1
Show InChI InChI=1S/C26H23N5O4S2/c1-35-17-10-11-20-22(13-17)36-26(29-20)30-21(25-27-18-4-2-3-5-19(18)28-25)12-15-6-8-16(9-7-15)23-14-24(32)31-37(23,33)34/h2-11,13,21,23H,12,14H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t21-,23-/m0/s1
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Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


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


(Homo sapiens (human))
BDBM13480
PNG
((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(5-...)
Show SMILES Fc1ccc2sc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc2c1
Show InChI InChI=1S/C25H20FN5O3S2/c26-16-9-10-21-19(12-16)29-25(35-21)30-20(24-27-17-3-1-2-4-18(17)28-24)11-14-5-7-15(8-6-14)22-13-23(32)31-36(22,33)34/h1-10,12,20,22H,11,13H2,(H,27,28)(H,29,30)(H,31,32)/t20-,22-/m0/s1
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n/an/a 420n/an/an/an/an/an/a



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


J Biol Chem 281: 38013-21 (2006)


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


(Homo sapiens (human))
BDBM13485
PNG
((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(6-...)
Show SMILES Brc1ccc2nc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)sc2c1
Show InChI InChI=1S/C25H20BrN5O3S2/c26-16-9-10-19-21(12-16)35-25(29-19)30-20(24-27-17-3-1-2-4-18(17)28-24)11-14-5-7-15(8-6-14)22-13-23(32)31-36(22,33)34/h1-10,12,20,22H,11,13H2,(H,27,28)(H,29,30)(H,31,32)/t20-,22-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



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


J Biol Chem 281: 38013-21 (2006)


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


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



Incyte Corporation



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


J Biol Chem 281: 38013-21 (2006)


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


(Homo sapiens (human))
BDBM13492
PNG
(Isothiazolidinone (IZD) deriv. 28 | N-[(1S)-1-(1H-...)
Show SMILES O=C(CCc1ccccc1)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C27H26N4O4S/c32-25(15-12-18-6-2-1-3-7-18)28-23(27-29-21-8-4-5-9-22(21)30-27)16-19-10-13-20(14-11-19)24-17-26(33)31-36(24,34)35/h1-11,13-14,23-24H,12,15-17H2,(H,28,32)(H,29,30)(H,31,33)/t23-,24?/m0/s1
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n/an/a 600n/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)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13477
PNG
((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-{[4-...)
Show SMILES FC(F)(F)c1cccc2sc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc12
Show InChI InChI=1S/C26H20F3N5O3S2/c27-26(28,29)16-4-3-7-20-23(16)33-25(38-20)32-19(24-30-17-5-1-2-6-18(17)31-24)12-14-8-10-15(11-9-14)21-13-22(35)34-39(21,36)37/h1-11,19,21H,12-13H2,(H,30,31)(H,32,33)(H,34,35)/t19-,21-/m0/s1
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n/an/a 740n/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
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13486
PNG
((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(6-...)
Show SMILES Clc1ccc2nc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)sc2c1
Show InChI InChI=1S/C25H20ClN5O3S2/c26-16-9-10-19-21(12-16)35-25(29-19)30-20(24-27-17-3-1-2-4-18(17)28-24)11-14-5-7-15(8-6-14)22-13-23(32)31-36(22,33)34/h1-10,12,20,22H,11,13H2,(H,27,28)(H,29,30)(H,31,32)/t20-,22-/m0/s1
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n/an/a 840n/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)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13481
PNG
((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(5-...)
Show SMILES Clc1ccc2sc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc2c1
Show InChI InChI=1S/C25H20ClN5O3S2/c26-16-9-10-21-19(12-16)29-25(35-21)30-20(24-27-17-3-1-2-4-18(17)28-24)11-14-5-7-15(8-6-14)22-13-23(32)31-36(22,33)34/h1-10,12,20,22H,11,13H2,(H,27,28)(H,29,30)(H,31,32)/t20-,22-/m0/s1
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n/an/a 970n/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)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13478
PNG
((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(4-...)
Show SMILES Brc1cccc2sc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc12
Show InChI InChI=1S/C25H20BrN5O3S2/c26-16-4-3-7-20-23(16)30-25(35-20)29-19(24-27-17-5-1-2-6-18(17)28-24)12-14-8-10-15(11-9-14)21-13-22(32)31-36(21,33)34/h1-11,19,21H,12-13H2,(H,27,28)(H,29,30)(H,31,32)/t19-,21-/m0/s1
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n/an/a 1.10E+3n/an/an/an/a7.022



Incyte Corporation



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


J Biol Chem 281: 38013-21 (2006)


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


(Homo sapiens (human))
BDBM13487
PNG
((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(6-...)
Show SMILES Cc1ccc2nc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)sc2c1
Show InChI InChI=1S/C26H23N5O3S2/c1-15-6-11-20-22(12-15)35-26(29-20)30-21(25-27-18-4-2-3-5-19(18)28-25)13-16-7-9-17(10-8-16)23-14-24(32)31-36(23,33)34/h2-12,21,23H,13-14H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t21-,23-/m0/s1
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n/an/a 1.10E+3n/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)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13482
PNG
((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-{[5-...)
Show SMILES FC(F)(F)c1ccc2sc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc2c1
Show InChI InChI=1S/C26H20F3N5O3S2/c27-26(28,29)16-9-10-21-19(12-16)32-25(38-21)33-20(24-30-17-3-1-2-4-18(17)31-24)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 1.30E+3n/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
Protein-Tyrosine Phosphatase 1B (PTP1B)


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



Incyte Corporation



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


J Biol Chem 281: 38013-21 (2006)


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


(Homo sapiens (human))
BDBM13479
PNG
((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(6-...)
Show SMILES Fc1cc(Cl)cc2sc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc12
Show InChI InChI=1S/C25H19ClFN5O3S2/c26-15-10-16(27)23-20(11-15)36-25(31-23)30-19(24-28-17-3-1-2-4-18(17)29-24)9-13-5-7-14(8-6-13)21-12-22(33)32-37(21,34)35/h1-8,10-11,19,21H,9,12H2,(H,28,29)(H,30,31)(H,32,33)/t19-,21-/m0/s1
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n/an/a 1.80E+3n/an/an/an/a7.022



Incyte Corporation



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


J Biol Chem 281: 38013-21 (2006)


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


(Homo sapiens (human))
BDBM13488
PNG
(Isothiazolidinone (IZD) deriv. 24 | N-[(1S)-1-(1H-...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H20N4O4S/c1-12(25)21-17(20-22-15-4-2-3-5-16(15)23-20)10-13-6-8-14(9-7-13)18-11-19(26)24-29(18,27)28/h2-9,17-18H,10-11H2,1H3,(H,21,25)(H,22,23)(H,24,26)/t17-,18?/m0/s1
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n/an/a 2.60E+3n/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)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13491
PNG
(Isothiazolidinone (IZD) deriv. 27 | N-[(1S)-1-(1H-...)
Show SMILES CC(C)C(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C22H24N4O4S/c1-13(2)22(28)25-18(21-23-16-5-3-4-6-17(16)24-21)11-14-7-9-15(10-8-14)19-12-20(27)26-31(19,29)30/h3-10,13,18-19H,11-12H2,1-2H3,(H,23,24)(H,25,28)(H,26,27)/t18-,19?/m0/s1
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n/an/a 3.20E+3n/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)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13468
PNG
((2R)-2-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}...)
Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C21H22F2N3O8P/c22-21(23,35(32,33)34)14-8-6-13(7-9-14)11-16(27)26-17(20(30)31)19(29)25-15(18(24)28)10-12-4-2-1-3-5-12/h1-9,15,17H,10-11H2,(H2,24,28)(H,25,29)(H,26,27)(H,30,31)(H2,32,33,34)/t15-,17+/m0/s1
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n/an/a 3.30E+4n/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)
* indicates data uncertainty>20%