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Compile Data Set for Download or QSAR

Found 71 hits Enz. Inhib. hit(s) with all data for entry = 8580   
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
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054344
PNG
(CHEMBL3319356 | US9522881, 11a-1 L97M74)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 200n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054344
PNG
(CHEMBL3319356 | US9522881, 11a-1 L97M74)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 200n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
For selectivity studies, the PTPs, including LYP, mPTPA, SHP1-D1C, PTP1B, LMPTP, VHR, Laforin and PTPα-D1D2 were expressed and purified from E. ...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054344
PNG
(CHEMBL3319356 | US9522881, 11a-1 L97M74)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 200n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054257
PNG
(CHEMBL3319376 | US9522881, 11a-21 L97L08)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C31H21IN4O5/c1-36-25-15-26(37)24(31(40)41)14-23(25)27(32)28(36)20-3-2-4-22(13-20)35-30(39)29(38)34-21-11-9-19(10-12-21)18-7-5-17(16-33)6-8-18/h2-15,37H,1H3,(H,34,38)(H,35,39)(H,40,41)
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n/an/a 220n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054258
PNG
(CHEMBL3319377 | US9522881, 11a-22 L97L07)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C31H21IN4O5/c1-36-25-15-26(37)24(31(40)41)14-23(25)27(32)28(36)20-6-3-7-22(13-20)35-30(39)29(38)34-21-10-8-18(9-11-21)19-5-2-4-17(12-19)16-33/h2-15,37H,1H3,(H,34,38)(H,35,39)(H,40,41)
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n/an/a 310n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054259
PNG
(CHEMBL3319378 | US9522881, 11a-23 L97L03)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccccc2-c2ccc(CO)o2)c1
Show InChI InChI=1S/C29H22IN3O7/c1-33-22-13-23(35)20(29(38)39)12-19(22)25(30)26(33)15-5-4-6-16(11-15)31-27(36)28(37)32-21-8-3-2-7-18(21)24-10-9-17(14-34)40-24/h2-13,34-35H,14H2,1H3,(H,31,36)(H,32,37)(H,38,39)
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n/an/a 370n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054260
PNG
(CHEMBL3319379 | US9522881, 11a-24 L97L05)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(c2)-c2ccco2)c1
Show InChI InChI=1S/C28H20IN3O6/c1-32-21-14-22(33)20(28(36)37)13-19(21)24(29)25(32)16-6-3-8-18(12-16)31-27(35)26(34)30-17-7-2-5-15(11-17)23-9-4-10-38-23/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 380n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054261
PNG
(CHEMBL3319380 | US9522881, 11a-25 L97L06)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(c2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C31H21IN4O5/c1-36-25-15-26(37)24(31(40)41)14-23(25)27(32)28(36)20-5-3-7-22(13-20)35-30(39)29(38)34-21-6-2-4-19(12-21)18-10-8-17(16-33)9-11-18/h2-15,37H,1H3,(H,34,38)(H,35,39)(H,40,41)
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n/an/a 420n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054406
PNG
(CHEMBL3319357 | US9522881, 11a-2 (L97N08))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C30H22IN3O5/c1-34-24-16-25(35)23(30(38)39)15-22(24)26(31)27(34)19-8-5-9-21(14-19)33-29(37)28(36)32-20-12-10-18(11-13-20)17-6-3-2-4-7-17/h2-16,35H,1H3,(H,32,36)(H,33,37)(H,38,39)
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n/an/a 620n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054262
PNG
(CHEMBL3319381 | US9522881, 11a-26 L97L02)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(c2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-5-3-7-19(11-16)31-27(35)26(34)30-18-6-2-4-15(10-18)17-8-9-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 630n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054405
PNG
(CHEMBL3319358 | US9522881, 11a-3 (L97M50))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(OCc3ccccc3)c(Cl)c2)c1
Show InChI InChI=1S/C31H23ClIN3O6/c1-36-24-15-25(37)22(31(40)41)14-21(24)27(33)28(36)18-8-5-9-19(12-18)34-29(38)30(39)35-20-10-11-26(23(32)13-20)42-16-17-6-3-2-4-7-17/h2-15,37H,16H2,1H3,(H,34,38)(H,35,39)(H,40,41)
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n/an/a 660n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054404
PNG
(CHEMBL3319359 | US9522881, 11a-4 (L97M61))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2nc3ccc(Br)cc3s2)c1
Show InChI InChI=1S/C25H16BrIN4O5S/c1-31-17-10-18(32)15(24(35)36)9-14(17)20(27)21(31)11-3-2-4-13(7-11)28-22(33)23(34)30-25-29-16-6-5-12(26)8-19(16)37-25/h2-10,32H,1H3,(H,28,33)(H,35,36)(H,29,30,34)
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n/an/a 760n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054403
PNG
(CHEMBL3319360 | US9522881, 11a-5 (L97M48))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(c2)-c2ccccc2)c1
Show InChI InChI=1S/C30H22IN3O5/c1-34-24-16-25(35)23(30(38)39)15-22(24)26(31)27(34)19-10-6-12-21(14-19)33-29(37)28(36)32-20-11-5-9-18(13-20)17-7-3-2-4-8-17/h2-16,35H,1H3,(H,32,36)(H,33,37)(H,38,39)
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n/an/a 770n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054402
PNG
(CHEMBL3319361 | US9522881, 11a-6 (L97M52))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(OCc3ccccc3)c2)c1
Show InChI InChI=1S/C31H24IN3O6/c1-35-25-16-26(36)24(31(39)40)15-23(25)27(32)28(35)19-9-5-10-20(13-19)33-29(37)30(38)34-21-11-6-12-22(14-21)41-17-18-7-3-2-4-8-18/h2-16,36H,17H2,1H3,(H,33,37)(H,34,38)(H,39,40)
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n/an/a 860n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM50054344
PNG
(CHEMBL3319356 | US9522881, 11a-1 L97M74)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 1.03E+3n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
For selectivity studies, the PTPs, including LYP, mPTPA, SHP1-D1C, PTP1B, LMPTP, VHR, Laforin and PTPα-D1D2 were expressed and purified from E. ...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054401
PNG
(CHEMBL3319362 | US9522881, 11a-7 (L97M93))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)N2CCc3cc(Br)ccc23)c1
Show InChI InChI=1S/C26H19BrIN3O5/c1-30-20-12-21(32)18(26(35)36)11-17(20)22(28)23(30)14-3-2-4-16(10-14)29-24(33)25(34)31-8-7-13-9-15(27)5-6-19(13)31/h2-6,9-12,32H,7-8H2,1H3,(H,29,33)(H,35,36)
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n/an/a 1.05E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50054344
PNG
(CHEMBL3319356 | US9522881, 11a-1 L97M74)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 1.05E+3n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
For selectivity studies, the PTPs, including LYP, mPTPA, SHP1-D1C, PTP1B, LMPTP, VHR, Laforin and PTPα-D1D2 were expressed and purified from E. ...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 3 (PTPH1)


(Homo sapiens (Human))
BDBM50054344
PNG
(CHEMBL3319356 | US9522881, 11a-1 L97M74)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 1.07E+3n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
For selectivity studies, the PTPs, including LYP, mPTPA, SHP1-D1C, PTP1B, LMPTP, VHR, Laforin and PTPα-D1D2 were expressed and purified from E. ...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A activator


(Mouse)
BDBM50054344
PNG
(CHEMBL3319356 | US9522881, 11a-1 L97M74)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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US Patent
n/an/a 1.09E+3n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
For selectivity studies, the PTPs, including LYP, mPTPA, SHP1-D1C, PTP1B, LMPTP, VHR, Laforin and PTPα-D1D2 were expressed and purified from E. ...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054400
PNG
(CHEMBL3319363 | US9522881, 11a-8 (L97M24))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(I)cc2)c1
Show InChI InChI=1S/C24H17I2N3O5/c1-29-18-11-19(30)17(24(33)34)10-16(18)20(26)21(29)12-3-2-4-15(9-12)28-23(32)22(31)27-14-7-5-13(25)6-8-14/h2-11,30H,1H3,(H,27,31)(H,28,32)(H,33,34)
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US Patent
n/an/a 1.20E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054399
PNG
(CHEMBL3319364 | US9522881, 11a-9 (L97M77))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C31H22IN5O5/c1-37-24-15-25(38)20(31(41)42)14-19(24)26(32)27(37)16-7-6-8-17(13-16)33-29(39)30(40)36-21-10-3-2-9-18(21)28-34-22-11-4-5-12-23(22)35-28/h2-15,38H,1H3,(H,33,39)(H,34,35)(H,36,40)(H,41,42)
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n/an/a 1.25E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
CTD phosphatase SSU72


(Homo sapiens (Human))
BDBM50054344
PNG
(CHEMBL3319356 | US9522881, 11a-1 L97M74)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
For selectivity studies, the PTPs, including LYP, mPTPA, SHP1-D1C, PTP1B, LMPTP, VHR, Laforin and PTPα-D1D2 were expressed and purified from E. ...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054350
PNG
(CHEMBL3319365 | US9522881, 11a-10 (L97N15))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2nc3ccccc3s2)c1
Show InChI InChI=1S/C25H17IN4O5S/c1-30-17-11-18(31)15(24(34)35)10-14(17)20(26)21(30)12-5-4-6-13(9-12)27-22(32)23(33)29-25-28-16-7-2-3-8-19(16)36-25/h2-11,31H,1H3,(H,27,32)(H,34,35)(H,28,29,33)
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n/an/a 1.35E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50054344
PNG
(CHEMBL3319356 | US9522881, 11a-1 L97M74)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 1.44E+3n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
For selectivity studies, the PTPs, including LYP, mPTPA, SHP1-D1C, PTP1B, LMPTP, VHR, Laforin and PTPα-D1D2 were expressed and purified from E. ...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054349
PNG
(CHEMBL3319366 | US9522881, 11a-11 (L97M21))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(Cl)c2)c1
Show InChI InChI=1S/C24H17ClIN3O5/c1-29-18-11-19(30)17(24(33)34)10-16(18)20(26)21(29)12-4-2-6-14(8-12)27-22(31)23(32)28-15-7-3-5-13(25)9-15/h2-11,30H,1H3,(H,27,31)(H,28,32)(H,33,34)
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n/an/a 1.46E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054348
PNG
(CHEMBL3319367 | US9522881, 11a-12 (L97M63))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-n2ccnc2)c1
Show InChI InChI=1S/C27H20IN5O5/c1-32-21-13-22(34)20(27(37)38)12-19(21)23(28)24(32)15-3-2-4-17(11-15)31-26(36)25(35)30-16-5-7-18(8-6-16)33-10-9-29-14-33/h2-14,34H,1H3,(H,30,35)(H,31,36)(H,37,38)
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n/an/a 1.49E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM260051
PNG
(US9522881, 7'c-3 (L95M50))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1ccc(cc1)C(=O)Nc1ccc(OCc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C30H22ClIN2O5/c1-34-24-15-25(35)22(30(37)38)14-21(24)27(32)28(34)18-7-9-19(10-8-18)29(36)33-20-11-12-26(23(31)13-20)39-16-17-5-3-2-4-6-17/h2-15,35H,16H2,1H3,(H,33,36)(H,37,38)
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US Patent
n/an/a 1.60E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054347
PNG
(CHEMBL3319368 | US9522881, 11a-13 (L97M30))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C25H16ClF3IN3O5/c1-33-18-10-19(34)15(24(37)38)9-14(18)20(30)21(33)11-3-2-4-12(7-11)31-22(35)23(36)32-13-5-6-17(26)16(8-13)25(27,28)29/h2-10,34H,1H3,(H,31,35)(H,32,36)(H,37,38)
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n/an/a 1.76E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054346
PNG
(CHEMBL3319369 | US9522881, 11a-14 (L97M73))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2nnc(s2)-c2ccccc2)c1
Show InChI InChI=1S/C26H18IN5O5S/c1-32-18-12-19(33)17(25(36)37)11-16(18)20(27)21(32)14-8-5-9-15(10-14)28-22(34)23(35)29-26-31-30-24(38-26)13-6-3-2-4-7-13/h2-12,33H,1H3,(H,28,34)(H,36,37)(H,29,31,35)
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n/an/a 1.79E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054345
PNG
(CHEMBL3319370 | US9522881, 11a-15 (L97N95))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C24H17FIN3O5/c1-29-18-11-19(30)17(24(33)34)10-16(18)20(26)21(29)12-3-2-4-15(9-12)28-23(32)22(31)27-14-7-5-13(25)6-8-14/h2-11,30H,1H3,(H,27,31)(H,28,32)(H,33,34)
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n/an/a 1.84E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50054344
PNG
(CHEMBL3319356 | US9522881, 11a-1 L97M74)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 2.29E+3n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
For selectivity studies, the PTPs, including LYP, mPTPA, SHP1-D1C, PTP1B, LMPTP, VHR, Laforin and PTPα-D1D2 were expressed and purified from E. ...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054264
PNG
(CHEMBL3319383 | US9522881, 11c-1 (L88M74))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)CCC(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C30H24IN3O5S/c1-34-24-15-25(35)23(30(38)39)14-22(24)28(31)29(34)18-3-2-4-21(13-18)33-27(37)10-9-26(36)32-20-7-5-17(6-8-20)19-11-12-40-16-19/h2-8,11-16,35H,9-10H2,1H3,(H,32,36)(H,33,37)(H,38,39)
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n/an/a 2.30E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 23 (VHZ)


(Homo sapiens (Human))
BDBM50054344
PNG
(CHEMBL3319356 | US9522881, 11a-1 L97M74)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
For selectivity studies, the PTPs, including LYP, mPTPA, SHP1-D1C, PTP1B, LMPTP, VHR, Laforin and PTPα-D1D2 were expressed and purified from E. ...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054206
PNG
(CHEMBL3319371 | US9522881, 11a-16 (L97N13))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2nccs2)c1
Show InChI InChI=1S/C21H15IN4O5S/c1-26-14-9-15(27)13(20(30)31)8-12(14)16(22)17(26)10-3-2-4-11(7-10)24-18(28)19(29)25-21-23-5-6-32-21/h2-9,27H,1H3,(H,24,28)(H,30,31)(H,23,25,29)
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n/an/a 2.31E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50054344
PNG
(CHEMBL3319356 | US9522881, 11a-1 L97M74)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 2.34E+3n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
For selectivity studies, the PTPs, including LYP, mPTPA, SHP1-D1C, PTP1B, LMPTP, VHR, Laforin and PTPα-D1D2 were expressed and purified from E. ...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054207
PNG
(CHEMBL3319372 | US9522881, 11a-17 (L97M32))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(OC(F)(F)F)c2)c1
Show InChI InChI=1S/C25H17F3IN3O6/c1-32-18-11-19(33)17(24(36)37)10-16(18)20(29)21(32)12-4-2-5-13(8-12)30-22(34)23(35)31-14-6-3-7-15(9-14)38-25(26,27)28/h2-11,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 2.39E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM260049
PNG
(US9522881, 7'c-1 (L95M52))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1ccc(cc1)C(=O)Nc1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C30H23IN2O5/c1-33-25-16-26(34)24(30(36)37)15-23(25)27(31)28(33)19-10-12-20(13-11-19)29(35)32-21-8-5-9-22(14-21)38-17-18-6-3-2-4-7-18/h2-16,34H,17H2,1H3,(H,32,35)(H,36,37)
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n/an/a 2.40E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase gamma (PTPγ)


(Homo sapiens (Human))
BDBM50054344
PNG
(CHEMBL3319356 | US9522881, 11a-1 L97M74)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
For selectivity studies, the PTPs, including LYP, mPTPA, SHP1-D1C, PTP1B, LMPTP, VHR, Laforin and PTPα-D1D2 were expressed and purified from E. ...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054209
PNG
(CHEMBL3319373 | US9522881, 11a-18 (L97M18))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(Br)c2)c1
Show InChI InChI=1S/C24H17BrIN3O5/c1-29-18-11-19(30)17(24(33)34)10-16(18)20(26)21(29)12-4-2-6-14(8-12)27-22(31)23(32)28-15-7-3-5-13(25)9-15/h2-11,30H,1H3,(H,27,31)(H,28,32)(H,33,34)
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n/an/a 2.73E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase phosphatase 5 (MKP5)


(Homo sapiens (Human))
BDBM50054344
PNG
(CHEMBL3319356 | US9522881, 11a-1 L97M74)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
For selectivity studies, the PTPs, including LYP, mPTPA, SHP1-D1C, PTP1B, LMPTP, VHR, Laforin and PTPα-D1D2 were expressed and purified from E. ...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM50054344
PNG
(CHEMBL3319356 | US9522881, 11a-1 L97M74)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 3.19E+3n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
For selectivity studies, the PTPs, including LYP, mPTPA, SHP1-D1C, PTP1B, LMPTP, VHR, Laforin and PTPα-D1D2 were expressed and purified from E. ...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase mu (PTPμ)


(Homo sapiens (Human))
BDBM50054344
PNG
(CHEMBL3319356 | US9522881, 11a-1 L97M74)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
For selectivity studies, the PTPs, including LYP, mPTPA, SHP1-D1C, PTP1B, LMPTP, VHR, Laforin and PTPα-D1D2 were expressed and purified from E. ...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054265
PNG
(CHEMBL3319384 | US9522881, 11c-2 (L88M49))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1
Show InChI InChI=1S/C32H26IN3O6/c1-36-26-18-27(37)25(32(40)41)17-24(26)30(33)31(36)19-6-5-7-21(16-19)35-29(39)15-14-28(38)34-20-10-12-23(13-11-20)42-22-8-3-2-4-9-22/h2-13,16-18,37H,14-15H2,1H3,(H,34,38)(H,35,39)(H,40,41)
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n/an/a 3.60E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens)
BDBM50054344
PNG
(CHEMBL3319356 | US9522881, 11a-1 L97M74)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
For selectivity studies, the PTPs, including LYP, mPTPA, SHP1-D1C, PTP1B, LMPTP, VHR, Laforin and PTPα-D1D2 were expressed and purified from E. ...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM260050
PNG
(US9522881, 7'c-2 (L95N79))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1ccc(cc1)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C25H19IN2O6/c1-28-18-10-19(29)17(25(31)32)9-16(18)22(26)23(28)14-3-5-15(6-4-14)24(30)27-11-13-2-7-20-21(8-13)34-12-33-20/h2-10,29H,11-12H2,1H3,(H,27,30)(H,31,32)
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n/an/a 4.20E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054267
PNG
(CHEMBL3319386 | US9522881, 11c-4 (L88M52))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)CCC(=O)Nc2cccc(OCc3ccccc3)c2)c1
Show InChI InChI=1S/C33H28IN3O6/c1-37-27-18-28(38)26(33(41)42)17-25(27)31(34)32(37)21-9-5-10-22(15-21)35-29(39)13-14-30(40)36-23-11-6-12-24(16-23)43-19-20-7-3-2-4-8-20/h2-12,15-18,38H,13-14,19H2,1H3,(H,35,39)(H,36,40)(H,41,42)
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n/an/a 4.50E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054211
PNG
(CHEMBL3319374 | US9522881, 11a-19 (L97N07))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(F)c2)c1
Show InChI InChI=1S/C24H17FIN3O5/c1-29-18-11-19(30)17(24(33)34)10-16(18)20(26)21(29)12-4-2-6-14(8-12)27-22(31)23(32)28-15-7-3-5-13(25)9-15/h2-11,30H,1H3,(H,27,31)(H,28,32)(H,33,34)
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n/an/a 4.66E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM50054266
PNG
(CHEMBL3319385 | US9522881, 11c-3 (L88M50))
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)CCC(=O)Nc2ccc(OCc3ccccc3)c(Cl)c2)c1
Show InChI InChI=1S/C33H27ClIN3O6/c1-38-26-17-27(39)24(33(42)43)16-23(26)31(35)32(38)20-8-5-9-21(14-20)36-29(40)12-13-30(41)37-22-10-11-28(25(34)15-22)44-18-19-6-3-2-4-7-19/h2-11,14-17,39H,12-13,18H2,1H3,(H,36,40)(H,37,41)(H,42,43)
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n/an/a 5.00E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)


(Homo sapiens (Human))
BDBM260046
PNG
(US9522881, 7'a-1 (L89M52))
Show SMILES Cn1c(CCCC(=O)Nc2cccc(OCc3ccccc3)c2)c(I)c2cc(C(O)=O)c(O)cc12
Show InChI InChI=1S/C27H25IN2O5/c1-30-22(26(28)20-14-21(27(33)34)24(31)15-23(20)30)11-6-12-25(32)29-18-9-5-10-19(13-18)35-16-17-7-3-2-4-8-17/h2-5,7-10,13-15,31H,6,11-12,16H2,1H3,(H,29,32)(H,33,34)
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n/an/a 5.00E+3n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
The inhibition assays were performed at 25 C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase pez


(Homo sapiens (Human))
BDBM50054344
PNG
(CHEMBL3319356 | US9522881, 11a-1 L97M74)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
For selectivity studies, the PTPs, including LYP, mPTPA, SHP1-D1C, PTP1B, LMPTP, VHR, Laforin and PTPα-D1D2 were expressed and purified from E. ...


US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
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