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17 molecules are shown

Wt: 503.5
BDBM13473
Wt: 521.5
BDBM13480
Wt: 538.0
BDBM13481
Wt: 582.4
BDBM13485
Wt: 538.0
BDBM13486
Wt: 517.6
BDBM13487
Wt: 503.5
BDBM14270
Wt: 503.5
BDBM14271
Wt: 521.5
BDBM14276
Wt: 521.5
BDBM14277
Wt: 538.0
BDBM14279
Wt: 538.0
BDBM14280
Wt: 528.6
BDBM14284
Wt: 528.6
BDBM14285
Wt: 582.4
BDBM14286
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 13473,13480,13481,13485,13486,13487,14270,14271,14276,14277,14279,14280,14284,14285,14286   
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
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14270
PNG
((R/S)-isothiazolidinone | 5-{4-[(2S)-2-(1H-1,3-ben...)
Show SMILES O=C1CC(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 480n/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)
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))
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 270n/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 (crystal)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14276
PNG
(5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(6-fluor...)
Show SMILES Fc1ccc2nc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)sc2c1
Show InChI InChI=1S/C25H20FN5O3S2/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 490n/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)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14277
PNG
(5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(5-fluor...)
Show SMILES Fc1ccc2sc(N[C@@H](Cc3ccc(cc3)C3CC(=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/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)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14279
PNG
(5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(6-chlor...)
Show SMILES Clc1ccc2nc(N[C@@H](Cc3ccc(cc3)C3CC(=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 440n/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)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14280
PNG
(5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(5-chlor...)
Show SMILES Clc1ccc2sc(N[C@@H](Cc3ccc(cc3)C3CC(=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/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...


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)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14284
PNG
(2-{[(1S)-1-(1H-1,3-benzodiazol-2-yl)-2-[4-(1,1,3-t...)
Show SMILES O=C1CC(c2ccc(C[C@H](Nc3nc4ccc(cc4s3)C#N)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1
Show InChI InChI=1S/C26H20N6O3S2/c27-14-16-7-10-20-22(12-16)36-26(30-20)31-21(25-28-18-3-1-2-4-19(18)29-25)11-15-5-8-17(9-6-15)23-13-24(33)32-37(23,34)35/h1-10,12,21,23H,11,13H2,(H,28,29)(H,30,31)(H,32,33)/t21-,23?/m0/s1
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n/an/a 470n/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)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14285
PNG
(2-{[(1S)-1-(1H-1,3-benzodiazol-2-yl)-2-[4-(1,1,3-t...)
Show SMILES O=C1CC(c2ccc(C[C@H](Nc3nc4cc(ccc4s3)C#N)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1
Show InChI InChI=1S/C26H20N6O3S2/c27-14-16-7-10-22-20(12-16)30-26(36-22)31-21(25-28-18-3-1-2-4-19(18)29-25)11-15-5-8-17(9-6-15)23-13-24(33)32-37(23,34)35/h1-10,12,21,23H,11,13H2,(H,28,29)(H,30,31)(H,32,33)/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...


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)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14286
PNG
(5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(6-bromo...)
Show SMILES Brc1ccc2nc(N[C@@H](Cc3ccc(cc3)C3CC(=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



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)
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))
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



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))
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



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))
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))
BDBM14271
PNG
((5R)-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>1.00E+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...


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)