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Compile Data Set for Download or QSAR

Found 100 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2248   
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
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359101
PNG
(US10220048, Compound AA11 | US10952992, No. AA11 |...)
Show SMILES COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(O)(=O)=O)cc1)c1nc(cs1)C1CC1 |r|
Show InChI InChI=1S/C25H28N4O6S2/c1-35-25(31)28-20(13-16-5-3-2-4-6-16)23(30)26-21(24-27-22(15-36-24)18-9-10-18)14-17-7-11-19(12-8-17)29-37(32,33)34/h2-8,11-12,15,18,20-21,29H,9-10,13-14H2,1H3,(H,26,30)(H,28,31)(H,32,33,34)/t20-,21-/m0/s1
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n/an/a 0.0100n/an/an/an/an/an/a



AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359121
PNG
(US10220048, Compound AA31 | US10952992, No. AA31 |...)
Show SMILES COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(O)(=O)=O)cc1)c1csc(CS(=O)(=O)c2ccc(Cl)cc2)n1 |r|
Show InChI InChI=1S/C29H29ClN4O8S3/c1-42-29(36)33-25(16-19-5-3-2-4-6-19)28(35)32-24(15-20-7-11-22(12-8-20)34-45(39,40)41)26-17-43-27(31-26)18-44(37,38)23-13-9-21(30)10-14-23/h2-14,17,24-25,34H,15-16,18H2,1H3,(H,32,35)(H,33,36)(H,39,40,41)/t24-,25-/m0/s1
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n/an/a 0.0800n/an/an/an/an/an/a



AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359106
PNG
(US10220048, Compound AA16 | US10952992, No. AA16 |...)
Show SMILES COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(O)(=O)=O)cc1)c1nc(CCC(F)(F)F)cs1 |r|
Show InChI InChI=1S/C25H27F3N4O6S2/c1-38-24(34)31-20(13-16-5-3-2-4-6-16)22(33)30-21(23-29-19(15-39-23)11-12-25(26,27)28)14-17-7-9-18(10-8-17)32-40(35,36)37/h2-10,15,20-21,32H,11-14H2,1H3,(H,30,33)(H,31,34)(H,35,36,37)/t20-,21-/m0/s1
PDB

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n/an/a 0.0800n/an/an/an/an/an/a



AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359113
PNG
(US10220048, Compound AA23 | US10952992, No. AA23 |...)
Show SMILES COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(O)(=O)=O)cc1)c1nc(cs1)-c1ccsc1 |r|
Show InChI InChI=1S/C26H26N4O6S3/c1-36-26(32)29-21(13-17-5-3-2-4-6-17)24(31)27-22(25-28-23(16-38-25)19-11-12-37-15-19)14-18-7-9-20(10-8-18)30-39(33,34)35/h2-12,15-16,21-22,30H,13-14H2,1H3,(H,27,31)(H,29,32)(H,33,34,35)/t21-,22-/m0/s1
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n/an/a 0.0900n/an/an/an/an/an/a



AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359099
PNG
(US10220048, Compound AA9 | US10952992, No. AA9 | U...)
Show SMILES CCCc1csc(n1)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC |r|
Show InChI InChI=1S/C25H30N4O6S2/c1-3-7-20-16-36-24(26-20)22(15-18-10-12-19(13-11-18)29-37(32,33)34)27-23(30)21(28-25(31)35-2)14-17-8-5-4-6-9-17/h4-6,8-13,16,21-22,29H,3,7,14-15H2,1-2H3,(H,27,30)(H,28,31)(H,32,33,34)/t21-,22-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359118
PNG
(US10220048, Compound AA28 | US10952992, No. AA28 |...)
Show SMILES CCc1nc(cs1)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC |r|
Show InChI InChI=1S/C24H28N4O6S2/c1-3-22-25-21(15-35-22)19(13-17-9-11-18(12-10-17)28-36(31,32)33)26-23(29)20(27-24(30)34-2)14-16-7-5-4-6-8-16/h4-12,15,19-20,28H,3,13-14H2,1-2H3,(H,26,29)(H,27,30)(H,31,32,33)/t19-,20-/m0/s1
PDB

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n/an/a 0.100n/an/an/an/an/an/a



AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359104
PNG
(US10220048, Compound AA14 | US10952992, No. AA14 |...)
Show SMILES CCc1nc(sc1C)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC |r|
Show InChI InChI=1S/C25H30N4O6S2/c1-4-20-16(2)36-24(27-20)22(15-18-10-12-19(13-11-18)29-37(32,33)34)26-23(30)21(28-25(31)35-3)14-17-8-6-5-7-9-17/h5-13,21-22,29H,4,14-15H2,1-3H3,(H,26,30)(H,28,31)(H,32,33,34)/t21-,22-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359117
PNG
(US10220048, Compound AA27 | US10952992, No. AA27 |...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(O)(=O)=O)cc1)c1nc(CC)cs1 |r|
Show InChI InChI=1S/C25H30N4O6S2/c1-3-19-16-36-24(26-19)22(15-18-10-12-20(13-11-18)29-37(32,33)34)27-23(30)21(28-25(31)35-4-2)14-17-8-6-5-7-9-17/h5-13,16,21-22,29H,3-4,14-15H2,1-2H3,(H,27,30)(H,28,31)(H,32,33,34)/t21-,22-/m0/s1
PDB

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n/an/a 0.140n/an/an/an/an/an/a



AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359091
PNG
(US10220048, Compound AA1 | US10220048, Compound AA...)
Show SMILES CCc1csc(n1)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C21H23N3O4S2/c1-2-17-14-29-21(22-17)19(23-20(25)13-15-6-4-3-5-7-15)12-16-8-10-18(11-9-16)24-30(26,27)28/h3-11,14,19,24H,2,12-13H2,1H3,(H,23,25)(H,26,27,28)/t19-/m0/s1
PDB

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n/an/a 0.157n/an/an/an/an/an/a



AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359096
PNG
(US10220048, Compound AA6 | US10952992, No. AA6 | U...)
Show SMILES CCc1csc(n1)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC |r|
Show InChI InChI=1S/C24H28N4O6S2/c1-3-18-15-35-23(25-18)21(14-17-9-11-19(12-10-17)28-36(31,32)33)26-22(29)20(27-24(30)34-2)13-16-7-5-4-6-8-16/h4-12,15,20-21,28H,3,13-14H2,1-2H3,(H,26,29)(H,27,30)(H,31,32,33)/t20-,21-/m0/s1
PDB

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n/an/a 0.162n/an/an/an/an/an/a



AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359187
PNG
(US10220048, Compound AA97 | US10952992, No. AA97 |...)
Show SMILES CCCc1nnc(N[C@@H](Cc2ccc(NS(O)(=O)=O)cc2)c2csc(n2)-c2cccs2)s1 |r|
Show InChI InChI=1S/C20H21N5O3S4/c1-2-4-18-23-24-20(31-18)22-15(16-12-30-19(21-16)17-5-3-10-29-17)11-13-6-8-14(9-7-13)25-32(26,27)28/h3,5-10,12,15,25H,2,4,11H2,1H3,(H,22,24)(H,26,27,28)/t15-/m0/s1
PDB

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n/an/a 0.200n/an/an/an/an/an/a



AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359108
PNG
(US10220048, Compound AA18 | US10952992, No. AA18 |...)
Show SMILES CCOC(=O)c1csc(n1)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC |r|
Show InChI InChI=1S/C25H28N4O8S2/c1-3-37-24(31)21-15-38-23(27-21)20(14-17-9-11-18(12-10-17)29-39(33,34)35)26-22(30)19(28-25(32)36-2)13-16-7-5-4-6-8-16/h4-12,15,19-20,29H,3,13-14H2,1-2H3,(H,26,30)(H,28,32)(H,33,34,35)/t19-,20-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359100
PNG
(US10220048, Compound AA10 | US10952992, No. AA10 |...)
Show SMILES COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(O)(=O)=O)cc1)c1nc(cs1)C(C)(C)C |r|
Show InChI InChI=1S/C26H32N4O6S2/c1-26(2,3)22-16-37-24(29-22)21(15-18-10-12-19(13-11-18)30-38(33,34)35)27-23(31)20(28-25(32)36-4)14-17-8-6-5-7-9-17/h5-13,16,20-21,30H,14-15H2,1-4H3,(H,27,31)(H,28,32)(H,33,34,35)/t20-,21-/m0/s1
PDB

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n/an/a 0.200n/an/an/an/an/an/a



AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359120
PNG
(US10220048, Compound AA30 | US10952992, No. AA30 |...)
Show SMILES COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(O)(=O)=O)cc1)c1csc(n1)C1CC1 |r|
Show InChI InChI=1S/C25H28N4O6S2/c1-35-25(31)28-21(14-16-5-3-2-4-6-16)23(30)26-20(22-15-36-24(27-22)18-9-10-18)13-17-7-11-19(12-8-17)29-37(32,33)34/h2-8,11-12,15,18,20-21,29H,9-10,13-14H2,1H3,(H,26,30)(H,28,31)(H,32,33,34)/t20-,21-/m0/s1
PDB

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n/an/a 0.200n/an/an/an/an/an/a



AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359178
PNG
(US10220048, Compound AA88 | US10952992, No. AA88 |...)
Show SMILES CCc1csc(n1)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)CCc1cccc(Cl)c1 |r|
Show InChI InChI=1S/C22H24ClN3O4S2/c1-2-18-14-31-22(24-18)20(13-16-6-9-19(10-7-16)26-32(28,29)30)25-21(27)11-8-15-4-3-5-17(23)12-15/h3-7,9-10,12,14,20,26H,2,8,11,13H2,1H3,(H,25,27)(H,28,29,30)/t20-/m0/s1
PDB

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n/an/a 0.200n/an/an/an/an/an/a



AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359131
PNG
(US10220048, Compound AA41 | US10952992, No. AA41 |...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(O)(=O)=O)cc1)c1nc(cs1)-c1ccsc1 |r|
Show InChI InChI=1S/C26H26N4O5S3/c1-17(31)27-22(13-18-5-3-2-4-6-18)25(32)28-23(26-29-24(16-37-26)20-11-12-36-15-20)14-19-7-9-21(10-8-19)30-38(33,34)35/h2-12,15-16,22-23,30H,13-14H2,1H3,(H,27,31)(H,28,32)(H,33,34,35)/t22-,23-/m0/s1
PDB

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n/an/a 0.240n/an/an/an/an/an/a



AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359109
PNG
(US10220048, Compound AA19 | US10952992, No. AA19 |...)
Show SMILES COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(O)(=O)=O)cc1)c1ncc(s1)-c1ccccc1 |r|
Show InChI InChI=1S/C28H28N4O6S2/c1-38-28(34)31-23(16-19-8-4-2-5-9-19)26(33)30-24(17-20-12-14-22(15-13-20)32-40(35,36)37)27-29-18-25(39-27)21-10-6-3-7-11-21/h2-15,18,23-24,32H,16-17H2,1H3,(H,30,33)(H,31,34)(H,35,36,37)/t23-,24-/m0/s1
PDB

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n/an/a 0.300n/an/an/an/an/an/a



AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359105
PNG
(US10220048, Compound AA15 | US10952992, No. AA15 |...)
Show SMILES COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(O)(=O)=O)cc1)c1nc(CC(F)(F)F)cs1 |r|
Show InChI InChI=1S/C24H25F3N4O6S2/c1-37-23(33)30-19(11-15-5-3-2-4-6-15)21(32)29-20(22-28-18(14-38-22)13-24(25,26)27)12-16-7-9-17(10-8-16)31-39(34,35)36/h2-10,14,19-20,31H,11-13H2,1H3,(H,29,32)(H,30,33)(H,34,35,36)/t19-,20-/m0/s1
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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359130
PNG
(US10220048, Compound AA40 | US10952992, No. AA40 |...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(O)(=O)=O)cc1)c1nc(cs1)C(C)(C)C |r|
Show InChI InChI=1S/C26H32N4O5S2/c1-17(31)27-21(14-18-8-6-5-7-9-18)24(32)28-22(25-29-23(16-36-25)26(2,3)4)15-19-10-12-20(13-11-19)30-37(33,34)35/h5-13,16,21-22,30H,14-15H2,1-4H3,(H,27,31)(H,28,32)(H,33,34,35)/t21-,22-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359167
PNG
(US10220048, Compound AA77 | US10952992, No. AA77 |...)
Show SMILES CCc1csc(n1)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)Cc1cccc(F)c1 |r|
Show InChI InChI=1S/C21H22FN3O4S2/c1-2-17-13-30-21(23-17)19(24-20(26)12-15-4-3-5-16(22)10-15)11-14-6-8-18(9-7-14)25-31(27,28)29/h3-10,13,19,25H,2,11-12H2,1H3,(H,24,26)(H,27,28,29)/t19-/m0/s1
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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359138
PNG
(US10220048, Compound AA48 | US10952992, No. AA48 |...)
Show SMILES CCc1csc(n1)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(=O)OC |r|
Show InChI InChI=1S/C26H30N4O7S2/c1-3-19-16-38-26(27-19)22(14-18-9-11-20(12-10-18)30-39(34,35)36)29-25(33)21(13-17-7-5-4-6-8-17)28-23(31)15-24(32)37-2/h4-12,16,21-22,30H,3,13-15H2,1-2H3,(H,28,31)(H,29,33)(H,34,35,36)/t21-,22-/m0/s1
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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359137
PNG
(US10220048, Compound AA47 | US10952992, No. AA47 |...)
Show SMILES CCc1csc(n1)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)OC |r|
Show InChI InChI=1S/C21H30N4O6S2/c1-5-15-12-32-20(22-15)18(11-14-6-8-16(9-7-14)25-33(28,29)30)23-19(26)17(10-13(2)3)24-21(27)31-4/h6-9,12-13,17-18,25H,5,10-11H2,1-4H3,(H,23,26)(H,24,27)(H,28,29,30)/t17-,18-/m0/s1
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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359115
PNG
(US10220048, Compound AA25 | US10952992, No. AA25 |...)
Show SMILES COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(O)(=O)=O)cc1)c1nc2CCCCc2s1 |r|
Show InChI InChI=1S/C26H30N4O6S2/c1-36-26(32)29-21(15-17-7-3-2-4-8-17)24(31)27-22(25-28-20-9-5-6-10-23(20)37-25)16-18-11-13-19(14-12-18)30-38(33,34)35/h2-4,7-8,11-14,21-22,30H,5-6,9-10,15-16H2,1H3,(H,27,31)(H,29,32)(H,33,34,35)/t21-,22-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359127
PNG
(US10220048, Compound AA37 | US10952992, No. AA37 |...)
Show SMILES COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(O)(=O)=O)cc1)c1csc(n1)-c1ccco1 |r|
Show InChI InChI=1S/C26H26N4O7S2/c1-36-26(32)29-21(15-17-6-3-2-4-7-17)24(31)27-20(22-16-38-25(28-22)23-8-5-13-37-23)14-18-9-11-19(12-10-18)30-39(33,34)35/h2-13,16,20-21,30H,14-15H2,1H3,(H,27,31)(H,29,32)(H,33,34,35)/t20-,21-/m0/s1
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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359188
PNG
(US10220048, Compound AA98 | US10952992, No. AA98 |...)
Show SMILES OS(=O)(=O)Nc1ccc(C[C@H](Nc2nnc(Cc3ccccc3)s2)c2csc(n2)-c2cccs2)cc1 |r|
Show InChI InChI=1S/C24H21N5O3S4/c30-36(31,32)29-18-10-8-17(9-11-18)13-19(20-15-34-23(25-20)21-7-4-12-33-21)26-24-28-27-22(35-24)14-16-5-2-1-3-6-16/h1-12,15,19,29H,13-14H2,(H,26,28)(H,30,31,32)/t19-/m0/s1
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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359132
PNG
(US10220048, Compound AA42 | US10220048, Compound A...)
Show SMILES CCc1csc(n1)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C24H36N4O6S2/c1-7-17-14-35-22(25-17)20(13-16-8-10-18(11-9-16)28-36(31,32)33)26-21(29)19(12-15(2)3)27-23(30)34-24(4,5)6/h8-11,14-15,19-20,28H,7,12-13H2,1-6H3,(H,26,29)(H,27,30)(H,31,32,33)/t19-,20-/m0/s1
PDB

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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359129
PNG
(US10220048, Compound AA39 | US10952992, No. AA39 |...)
Show SMILES CCc1csc(n1)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O |r|
Show InChI InChI=1S/C24H28N4O5S2/c1-3-19-15-34-24(26-19)22(14-18-9-11-20(12-10-18)28-35(31,32)33)27-23(30)21(25-16(2)29)13-17-7-5-4-6-8-17/h4-12,15,21-22,28H,3,13-14H2,1-2H3,(H,25,29)(H,27,30)(H,31,32,33)/t21-,22-/m0/s1
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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359119
PNG
(US10220048, Compound AA29 | US10952992, No. AA29 |...)
Show SMILES COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(O)(=O)=O)cc1)c1csc(C)n1 |r|
Show InChI InChI=1S/C23H26N4O6S2/c1-15-24-21(14-34-15)19(12-17-8-10-18(11-9-17)27-35(30,31)32)25-22(28)20(26-23(29)33-2)13-16-6-4-3-5-7-16/h3-11,14,19-20,27H,12-13H2,1-2H3,(H,25,28)(H,26,29)(H,30,31,32)/t19-,20-/m0/s1
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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359114
PNG
(US10220048, Compound AA24 | US10952992, No. AA24 |...)
Show SMILES COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(O)(=O)=O)cc1)c1nc2CCCc2s1 |r|
Show InChI InChI=1S/C25H28N4O6S2/c1-35-25(31)28-20(14-16-6-3-2-4-7-16)23(30)26-21(24-27-19-8-5-9-22(19)36-24)15-17-10-12-18(13-11-17)29-37(32,33)34/h2-4,6-7,10-13,20-21,29H,5,8-9,14-15H2,1H3,(H,26,30)(H,28,31)(H,32,33,34)/t20-,21-/m0/s1
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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359107
PNG
(US10220048, Compound AA17 | US10952992, No. AA17 |...)
Show SMILES COCc1csc(n1)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC |r|
Show InChI InChI=1S/C24H28N4O7S2/c1-34-14-19-15-36-23(25-19)21(13-17-8-10-18(11-9-17)28-37(31,32)33)26-22(29)20(27-24(30)35-2)12-16-6-4-3-5-7-16/h3-11,15,20-21,28H,12-14H2,1-2H3,(H,26,29)(H,27,30)(H,31,32,33)/t20-,21-/m0/s1
PDB

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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359098
PNG
(US10220048, Compound AA8 | US10952992, No. AA8 | U...)
Show SMILES COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(O)(=O)=O)cc1)c1nc(C)cs1 |r|
Show InChI InChI=1S/C23H26N4O6S2/c1-15-14-34-22(24-15)20(13-17-8-10-18(11-9-17)27-35(30,31)32)25-21(28)19(26-23(29)33-2)12-16-6-4-3-5-7-16/h3-11,14,19-20,27H,12-13H2,1-2H3,(H,25,28)(H,26,29)(H,30,31,32)/t19-,20-/m0/s1
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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359103
PNG
(US10220048, Compound AA13 | US10952992, No. AA13 |...)
Show SMILES COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(O)(=O)=O)cc1)c1nc(C)c(C)s1 |r|
Show InChI InChI=1S/C24H28N4O6S2/c1-15-16(2)35-23(25-15)21(14-18-9-11-19(12-10-18)28-36(31,32)33)26-22(29)20(27-24(30)34-3)13-17-7-5-4-6-8-17/h4-12,20-21,28H,13-14H2,1-3H3,(H,26,29)(H,27,30)(H,31,32,33)/t20-,21-/m0/s1
PDB

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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359189
PNG
(US10220048, Compound AA99 | US10952992, No. AA99 |...)
Show SMILES COC(=O)Cc1nnc(N[C@@H](Cc2ccc(NS(O)(=O)=O)cc2)c2csc(n2)-c2cccs2)s1 |r|
Show InChI InChI=1S/C20H19N5O5S4/c1-30-18(26)10-17-23-24-20(33-17)22-14(15-11-32-19(21-15)16-3-2-8-31-16)9-12-4-6-13(7-5-12)25-34(27,28)29/h2-8,11,14,25H,9-10H2,1H3,(H,22,24)(H,27,28,29)/t14-/m0/s1
PDB

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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359175
PNG
(US10220048, Compound AA85 | US10952992, No. AA85 |...)
Show SMILES CCc1csc(n1)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)CCc1ccccc1 |r|
Show InChI InChI=1S/C22H25N3O4S2/c1-2-18-15-30-22(23-18)20(24-21(26)13-10-16-6-4-3-5-7-16)14-17-8-11-19(12-9-17)25-31(27,28)29/h3-9,11-12,15,20,25H,2,10,13-14H2,1H3,(H,24,26)(H,27,28,29)/t20-/m0/s1
PDB

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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359182
PNG
(US10220048, Compound AA92 | US10952992, No. AA92 |...)
Show SMILES CCN1CCN(CC(=O)N[C@@H](Cc2ccc(NS(O)(=O)=O)cc2)c2nc(CC)cs2)C(=O)C1=O |r|
Show InChI InChI=1S/C21H27N5O6S2/c1-3-15-13-33-19(22-15)17(11-14-5-7-16(8-6-14)24-34(30,31)32)23-18(27)12-26-10-9-25(4-2)20(28)21(26)29/h5-8,13,17,24H,3-4,9-12H2,1-2H3,(H,23,27)(H,30,31,32)/t17-/m0/s1
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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359183
PNG
(US10220048, Compound AA93 | US10952992, No. AA93 |...)
Show SMILES CCc1csc(n1)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)Cn1cc(C)c(=O)[nH]c1=O |r|
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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359122
PNG
(US10220048, Compound AA32 | US10952992, No. AA32 |...)
Show SMILES COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(O)(=O)=O)cc1)c1csc(CS(=O)(=O)C(C)(C)C)n1 |r|
Show InChI InChI=1S/C27H34N4O8S3/c1-27(2,3)41(34,35)17-24-28-23(16-40-24)21(14-19-10-12-20(13-11-19)31-42(36,37)38)29-25(32)22(30-26(33)39-4)15-18-8-6-5-7-9-18/h5-13,16,21-22,31H,14-15,17H2,1-4H3,(H,29,32)(H,30,33)(H,36,37,38)/t21-,22-/m0/s1
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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359135
PNG
(US10220048, Compound AA45 | US10952992, No. AA45 |...)
Show SMILES CCc1csc(n1)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)C |r|
Show InChI InChI=1S/C20H28N4O6S2/c1-5-14-11-31-19(21-14)16(22-18(25)17(12(2)3)23-20(26)30-4)10-13-6-8-15(9-7-13)24-32(27,28)29/h6-9,11-12,16-17,24H,5,10H2,1-4H3,(H,22,25)(H,23,26)(H,27,28,29)/t16-,17-/m0/s1
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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359185
PNG
(US10220048, Compound AA95 | US10952992, No. AA95 |...)
Show SMILES Cc1nnc(N[C@@H](Cc2ccc(NS(O)(=O)=O)cc2)c2csc(n2)-c2ccccc2)s1 |r|
Show InChI InChI=1S/C20H19N5O3S3/c1-13-23-24-20(30-13)22-17(11-14-7-9-16(10-8-14)25-31(26,27)28)18-12-29-19(21-18)15-5-3-2-4-6-15/h2-10,12,17,25H,11H2,1H3,(H,22,24)(H,26,27,28)/t17-/m0/s1
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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359128
PNG
(US10220048, Compound AA38 | US10952992, No. AA38 |...)
Show SMILES COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(O)(=O)=O)cc1)c1csc(n1)-c1cnccn1 |r|
Show InChI InChI=1S/C26H26N6O6S2/c1-38-26(34)31-21(14-17-5-3-2-4-6-17)24(33)29-20(13-18-7-9-19(10-8-18)32-40(35,36)37)23-16-39-25(30-23)22-15-27-11-12-28-22/h2-12,15-16,20-21,32H,13-14H2,1H3,(H,29,33)(H,31,34)(H,35,36,37)/t20-,21-/m0/s1
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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359179
PNG
(US10220048, Compound AA89 | US10952992, No. AA89 |...)
Show SMILES CCc1csc(n1)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)CCc1ccccc1OC |r|
Show InChI InChI=1S/C23H27N3O5S2/c1-3-18-15-32-23(24-18)20(14-16-8-11-19(12-9-16)26-33(28,29)30)25-22(27)13-10-17-6-4-5-7-21(17)31-2/h4-9,11-12,15,20,26H,3,10,13-14H2,1-2H3,(H,25,27)(H,28,29,30)/t20-/m0/s1
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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359092
PNG
(US10220048, Compound AA2 | US10952992, No. AA2 | U...)
Show SMILES CCc1csc(n1)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C27H34N4O6S2/c1-5-20-17-38-25(28-20)23(16-19-11-13-21(14-12-19)31-39(34,35)36)29-24(32)22(15-18-9-7-6-8-10-18)30-26(33)37-27(2,3)4/h6-14,17,22-23,31H,5,15-16H2,1-4H3,(H,29,32)(H,30,33)(H,34,35,36)/t22-,23+/m1/s1
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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359126
PNG
(US10220048, Compound AA36 | US10952992, No. AA36 |...)
Show SMILES COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(O)(=O)=O)cc1)c1csc(n1)-c1sccc1C |r|
Show InChI InChI=1S/C27H28N4O6S3/c1-17-12-13-38-24(17)26-29-23(16-39-26)21(14-19-8-10-20(11-9-19)31-40(34,35)36)28-25(32)22(30-27(33)37-2)15-18-6-4-3-5-7-18/h3-13,16,21-22,31H,14-15H2,1-2H3,(H,28,32)(H,30,33)(H,34,35,36)/t21-,22-/m0/s1
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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359125
PNG
(US10220048, Compound AA35 | US10952992, No. AA35 |...)
Show SMILES COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(O)(=O)=O)cc1)c1csc(n1)-c1sccc1Cl |r|
Show InChI InChI=1S/C26H25ClN4O6S3/c1-37-26(33)30-21(14-16-5-3-2-4-6-16)24(32)28-20(13-17-7-9-18(10-8-17)31-40(34,35)36)22-15-39-25(29-22)23-19(27)11-12-38-23/h2-12,15,20-21,31H,13-14H2,1H3,(H,28,32)(H,30,33)(H,34,35,36)/t20-,21-/m0/s1
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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359124
PNG
(US10220048, Compound AA34 | US10952992, No. AA34 |...)
Show SMILES COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(O)(=O)=O)cc1)c1csc(n1)-c1cccs1 |r|
Show InChI InChI=1S/C26H26N4O6S3/c1-36-26(32)29-21(15-17-6-3-2-4-7-17)24(31)27-20(22-16-38-25(28-22)23-8-5-13-37-23)14-18-9-11-19(12-10-18)30-39(33,34)35/h2-13,16,20-21,30H,14-15H2,1H3,(H,27,31)(H,29,32)(H,33,34,35)/t20-,21-/m0/s1
PDB

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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359102
PNG
(US10220048, Compound AA12 | US10952992, No. AA12 |...)
Show SMILES COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(O)(=O)=O)cc1)c1nc(cs1)C1CCCCC1 |r|
Show InChI InChI=1S/C28H34N4O6S2/c1-38-28(34)31-23(16-19-8-4-2-5-9-19)26(33)29-24(17-20-12-14-22(15-13-20)32-40(35,36)37)27-30-25(18-39-27)21-10-6-3-7-11-21/h2,4-5,8-9,12-15,18,21,23-24,32H,3,6-7,10-11,16-17H2,1H3,(H,29,33)(H,31,34)(H,35,36,37)/t23-,24-/m0/s1
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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359116
PNG
(US10220048, Compound AA26 | US10952992, No. AA26 |...)
Show SMILES COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(O)(=O)=O)cc1)c1nc(cs1)-c1ccc(Cl)s1 |r|
Show InChI InChI=1S/C26H25ClN4O6S3/c1-37-26(33)30-19(13-16-5-3-2-4-6-16)24(32)28-20(14-17-7-9-18(10-8-17)31-40(34,35)36)25-29-21(15-38-25)22-11-12-23(27)39-22/h2-12,15,19-20,31H,13-14H2,1H3,(H,28,32)(H,30,33)(H,34,35,36)/t19-,20-/m0/s1
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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359094
PNG
(US10220048, Compound AA4 | US10952992, No. AA4 | U...)
Show SMILES CC(C)(C)OC(=O)NC[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(O)(=O)=O)cc1)c1nc(cs1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H36N4O6S2/c1-32(2,3)42-31(38)33-20-25(18-22-10-6-4-7-11-22)29(37)34-27(19-23-14-16-26(17-15-23)36-44(39,40)41)30-35-28(21-43-30)24-12-8-5-9-13-24/h4-17,21,25,27,36H,18-20H2,1-3H3,(H,33,38)(H,34,37)(H,39,40,41)/t25-,27-/m0/s1
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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359110
PNG
(US10220048, Compound AA20 | US10952992, No. AA20 |...)
Show SMILES CCc1nc(sc1-c1ccccc1)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC |r|
Show InChI InChI=1S/C30H32N4O6S2/c1-3-24-27(22-12-8-5-9-13-22)41-29(32-24)26(19-21-14-16-23(17-15-21)34-42(37,38)39)31-28(35)25(33-30(36)40-2)18-20-10-6-4-7-11-20/h4-17,25-26,34H,3,18-19H2,1-2H3,(H,31,35)(H,33,36)(H,37,38,39)/t25-,26-/m0/s1
PDB

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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359112
PNG
(US10220048, Compound AA22 | US10952992, No. AA22 |...)
Show SMILES COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(O)(=O)=O)cc1)c1nc(cs1)-c1cccs1 |r|
Show InChI InChI=1S/C26H26N4O6S3/c1-36-26(32)29-20(14-17-6-3-2-4-7-17)24(31)27-21(25-28-22(16-38-25)23-8-5-13-37-23)15-18-9-11-19(12-10-18)30-39(33,34)35/h2-13,16,20-21,30H,14-15H2,1H3,(H,27,31)(H,29,32)(H,33,34,35)/t20-,21-/m0/s1
PDB

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AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
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