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Compile Data Set for Download or QSAR

Found 50 hits of ic50 for UniProtKB: P23469   
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
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50450426
PNG
(CHEMBL4174865)
Show SMILES Cc1ccc(OCc2nnc(NC(=O)Nc3ccc(F)c(Cl)c3)s2)c(C)c1
Show InChI InChI=1S/C18H16ClFN4O2S/c1-10-3-6-15(11(2)7-10)26-9-16-23-24-18(27-16)22-17(25)21-12-4-5-14(20)13(19)8-12/h3-8H,9H2,1-2H3,(H2,21,22,24,25)
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n/an/a 1.86E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic PTPepsilon expressed in Escherichia coli BL21 (DE3) using E527-P-Q-pY530-Q-P-G-E-N-L536 as substrate after ...

Bioorg Med Chem 26: 5204-5211 (2018)


Article DOI: 10.1016/j.bmc.2018.09.022
BindingDB Entry DOI: 10.7270/Q21C20F9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50450424
PNG
(CHEMBL4160163)
Show SMILES Clc1ccc(OCc2nnc(NC(=O)COc3ccc4OCOc4c3)s2)cc1
Show InChI InChI=1S/C18H14ClN3O5S/c19-11-1-3-12(4-2-11)25-9-17-21-22-18(28-17)20-16(23)8-24-13-5-6-14-15(7-13)27-10-26-14/h1-7H,8-10H2,(H,20,22,23)
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n/an/a 2.01E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic PTPepsilon expressed in Escherichia coli BL21 (DE3) using E527-P-Q-pY530-Q-P-G-E-N-L536 as substrate after ...

Bioorg Med Chem 26: 5204-5211 (2018)


Article DOI: 10.1016/j.bmc.2018.09.022
BindingDB Entry DOI: 10.7270/Q21C20F9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50450422
PNG
(CHEMBL4170383)
Show SMILES Cc1ccc(NC(=O)Nc2nnc(COc3ccc(C)cc3C)s2)cc1
Show InChI InChI=1S/C19H20N4O2S/c1-12-4-7-15(8-5-12)20-18(24)21-19-23-22-17(26-19)11-25-16-9-6-13(2)10-14(16)3/h4-10H,11H2,1-3H3,(H2,20,21,23,24)
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n/an/a 2.47E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic PTPepsilon expressed in Escherichia coli BL21 (DE3) using E527-P-Q-pY530-Q-P-G-E-N-L536 as substrate after ...

Bioorg Med Chem 26: 5204-5211 (2018)


Article DOI: 10.1016/j.bmc.2018.09.022
BindingDB Entry DOI: 10.7270/Q21C20F9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50450423
PNG
(CHEMBL4168082)
Show SMILES COc1ccccc1OCC(=O)Nc1nnc(COc2ccccc2)s1
Show InChI InChI=1S/C18H17N3O4S/c1-23-14-9-5-6-10-15(14)25-11-16(22)19-18-21-20-17(26-18)12-24-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,21,22)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic PTPepsilon expressed in Escherichia coli BL21 (DE3) using E527-P-Q-pY530-Q-P-G-E-N-L536 as substrate after ...

Bioorg Med Chem 26: 5204-5211 (2018)


Article DOI: 10.1016/j.bmc.2018.09.022
BindingDB Entry DOI: 10.7270/Q21C20F9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50450425
PNG
(CHEMBL4159748)
Show SMILES CCC(C)c1ccc(OCc2nnc(NC(=O)Nc3ccccc3OC)s2)cc1
Show InChI InChI=1S/C21H24N4O3S/c1-4-14(2)15-9-11-16(12-10-15)28-13-19-24-25-21(29-19)23-20(26)22-17-7-5-6-8-18(17)27-3/h5-12,14H,4,13H2,1-3H3,(H2,22,23,25,26)
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n/an/a 4.17E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic PTPepsilon expressed in Escherichia coli BL21 (DE3) using E527-P-Q-pY530-Q-P-G-E-N-L536 as substrate after ...

Bioorg Med Chem 26: 5204-5211 (2018)


Article DOI: 10.1016/j.bmc.2018.09.022
BindingDB Entry DOI: 10.7270/Q21C20F9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM231167
PNG
(US9340574, 7)
Show SMILES COc1cc(CC(=O)NCC(NC(=O)C(CCCNC(=O)c2cccc(I)c2)NC(=O)C(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)NC(=O)c2ccc(C)c(Br)c2)C(N)=O)ccc1O
Show InChI InChI=1S/C42H45BrF2IN6O11P/c1-23-8-12-27(21-30(23)43)39(57)51-32(17-24-9-13-28(14-10-24)42(44,45)64(60,61)62)41(59)50-31(7-4-16-48-38(56)26-5-3-6-29(46)20-26)40(58)52-33(37(47)55)22-49-36(54)19-25-11-15-34(53)35(18-25)63-2/h3,5-6,8-15,18,20-21,31-33,53H,4,7,16-17,19,22H2,1-2H3,(H2,47,55)(H,48,56)(H,49,54)(H,50,59)(H,51,57)(H,52,58)(H2,60,61,62)
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n/an/a>1.00E+4n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
PTP activity was assayed using p-nitrophenyl phosphate (pNPP) as a substrate in 3,3-dimethylglutarate buffer (50 mM 3,3-dimethylglutarate, pH 7.0, 1 ...

US Patent US9340574 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H4J
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50607111
PNG
(CHEMBL5218807)
Show SMILES Cc1c(Br)cc(NC(=O)NS(O)(=O)=O)cc1Br
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01143
BindingDB Entry DOI: 10.7270/Q2BK1HGF
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50054344
PNG
(CHEMBL3319356 | US9522881, 11a-1 L97M74 | US984453...)
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>2.00E+4n/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 epsilon


(Homo sapiens (Human))		BDBM50054344
PNG
(CHEMBL3319356 | US9522881, 11a-1 L97M74 | US984453...)
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>2.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of PTPepsilon (unknown origin)

J Med Chem 57: 6594-609 (2014)


Article DOI: 10.1021/jm5006176
BindingDB Entry DOI: 10.7270/Q24X59FM
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50436357
PNG
(CHEMBL2396719)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NC2CC2)cc1
Show InChI InChI=1S/C28H20ClNO6/c29-18-3-1-2-16(12-18)4-11-21-22-13-23(28(33)34)24(31)14-25(22)36-27(21)17-5-9-20(10-6-17)35-15-26(32)30-19-7-8-19/h1-3,5-6,9-10,12-14,19,31H,7-8,15H2,(H,30,32)(H,33,34)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTPepsilon (unknown origin) using pNPP as substrate by spectrophotometric analysis

J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50436358
PNG
(CHEMBL2396718)
Show SMILES CCCNC(=O)COc1ccc(cc1)-c1oc2cc(O)c(cc2c1C#Cc1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C28H22ClNO6/c1-2-12-30-26(32)16-35-20-9-7-18(8-10-20)27-21(11-6-17-4-3-5-19(29)13-17)22-14-23(28(33)34)24(31)15-25(22)36-27/h3-5,7-10,13-15,31H,2,12,16H2,1H3,(H,30,32)(H,33,34)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTPepsilon (unknown origin) using pNPP as substrate by spectrophotometric analysis

J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50544431
PNG
(CHEMBL4637459 | US11192850, Entry 4k)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H10F3NO3/c18-17(19,20)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)21-15(22)16(23)24/h3-10H,(H,21,22)(H,23,24)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of PTPE (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis sp...

J Med Chem 63: 9212-9227 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00302
BindingDB Entry DOI: 10.7270/Q2QV3R3B
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50544440
PNG
(CHEMBL4647367 | US11192850, Entry 4t)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C17H9ClF3NO3/c18-14-9-12(17(19,20)21)6-5-11(14)4-1-10-2-7-13(8-3-10)22-15(23)16(24)25/h2-3,5-9H,(H,22,23)(H,24,25)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of PTPE (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis sp...

J Med Chem 63: 9212-9227 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00302
BindingDB Entry DOI: 10.7270/Q2QV3R3B
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50222205
PNG
((1S,2R,4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-10,...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTPepsilon

Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50246580
PNG
((S)-2-((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hyd...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:10|
Show InChI InChI=1S/C39H57NO4/c1-34(2)19-21-39(33(44)40-28(32(42)43)23-25-11-9-8-10-12-25)22-20-37(6)26(27(39)24-34)13-14-30-36(5)17-16-31(41)35(3,4)29(36)15-18-38(30,37)7/h8-13,27-31,41H,14-24H2,1-7H3,(H,40,44)(H,42,43)/t27-,28-,29-,30+,31-,36-,37+,38+,39-/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTPepsilon

Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50246620
PNG
(3-((4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy...)
Show SMILES CC1(C)CC[C@]2(CCC(O)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:15|
Show InChI InChI=1S/C32H52O3/c1-27(2)16-18-32(15-12-26(34)35)19-17-30(6)21(22(32)20-27)8-9-24-29(5)13-11-25(33)28(3,4)23(29)10-14-31(24,30)7/h8,22-25,33H,9-20H2,1-7H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32+/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTPepsilon

Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50246621
PNG
(5-((4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy...)
Show SMILES CC1(C)CC[C@]2(CCCCC(O)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:17|
Show InChI InChI=1S/C34H56O3/c1-29(2)18-20-34(15-9-8-10-28(36)37)21-19-32(6)23(24(34)22-29)11-12-26-31(5)16-14-27(35)30(3,4)25(31)13-17-33(26,32)7/h11,24-27,35H,8-10,12-22H2,1-7H3,(H,36,37)/t24-,25-,26+,27-,31-,32+,33+,34+/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTPepsilon

Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50246668
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-2-(5-((4aR,6aS,6bR,8a...)
Show SMILES CC1(C)CC[C@]2(CCCCC(=O)NC(Cc3ccc4OCOc4c3)C(O)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:33|
Show InChI InChI=1S/C44H65NO6/c1-39(2)20-22-44(17-9-8-10-37(47)45-31(38(48)49)24-28-11-13-32-33(25-28)51-27-50-32)23-21-42(6)29(30(44)26-39)12-14-35-41(5)18-16-36(46)40(3,4)34(41)15-19-43(35,42)7/h11-13,25,30-31,34-36,46H,8-10,14-24,26-27H2,1-7H3,(H,45,47)(H,48,49)/t30-,31?,34-,35+,36-,41-,42+,43+,44+/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTPepsilon

Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50194130
PNG
((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(3-carboxy...)
Show SMILES CC(C)(CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C)C(O)=O |r,t:20|
Show InChI InChI=1S/C36H56O6/c1-30(2)16-18-36(29(40)41)19-17-34(8)22(23(36)20-30)10-11-25-33(7)14-13-26(42-27(37)21-31(3,4)28(38)39)32(5,6)24(33)12-15-35(25,34)9/h10,23-26H,11-21H2,1-9H3,(H,38,39)(H,40,41)/t23-,24-,25+,26-,33-,34+,35+,36-/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTPepsilon

Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50246744
PNG
((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(4-carboxy...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OCc6ccc(cc6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C38H54O5/c1-33(2)18-20-38(32(41)42)21-19-36(6)26(27(38)22-33)12-13-29-35(5)16-15-30(34(3,4)28(35)14-17-37(29,36)7)43-23-24-8-10-25(11-9-24)31(39)40/h8-12,27-30H,13-23H2,1-7H3,(H,39,40)(H,41,42)/t27-,28-,29+,30-,35-,36+,37+,38-/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTPepsilon

Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50246745
PNG
(3-(4-Carboxy-benzyloxy)-28-[4-butyric ((S)-1-carbo...)
Show SMILES CC1(C)CC[C@]2(CCCCC(=O)N[C@@H](Cc3ccccc3)C(O)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OCc6ccc(cc6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:29|
Show InChI InChI=1S/C51H71NO6/c1-46(2)27-29-51(24-12-11-15-43(53)52-39(45(56)57)31-34-13-9-8-10-14-34)30-28-49(6)37(38(51)32-46)20-21-41-48(5)25-23-42(47(3,4)40(48)22-26-50(41,49)7)58-33-35-16-18-36(19-17-35)44(54)55/h8-10,13-14,16-20,38-42H,11-12,15,21-33H2,1-7H3,(H,52,53)(H,54,55)(H,56,57)/t38-,39-,40-,41+,42-,48-,49+,50+,51+/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTPepsilon

Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTPepsilon

Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50079577
PNG
((4aS,6aS,6bR,10S,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O |c:10|
Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21?,22?,23-,27-,28+,29+,30-/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTPepsilon

Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50246653
PNG
((S)-2-(5-((4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-...)
Show SMILES CC1(C)CC[C@]2(CCCCC(=O)N[C@@H](Cc3ccccc3)C(O)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:29|
Show InChI InChI=1S/C43H65NO4/c1-38(2)23-25-43(20-12-11-15-36(46)44-32(37(47)48)27-29-13-9-8-10-14-29)26-24-41(6)30(31(43)28-38)16-17-34-40(5)21-19-35(45)39(3,4)33(40)18-22-42(34,41)7/h8-10,13-14,16,31-35,45H,11-12,15,17-28H2,1-7H3,(H,44,46)(H,47,48)/t31-,32-,33-,34+,35-,40-,41+,42+,43+/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTPepsilon

Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50087856
PNG
(CHEMBL3426913)
Show SMILES CCCCC(Oc1cc(O)c(cc1C#Cc1ccccc1OC(F)(F)F)C(O)=O)C(=O)NC1CCCCC1
Show InChI InChI=1S/C28H30F3NO6/c1-2-3-12-24(26(34)32-20-10-5-4-6-11-20)37-25-17-22(33)21(27(35)36)16-19(25)15-14-18-9-7-8-13-23(18)38-28(29,30)31/h7-9,13,16-17,20,24,33H,2-6,10-12H2,1H3,(H,32,34)(H,35,36)
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n/an/a>5.00E+4n/an/an/an/a7.0n/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of PTPepsilon (unknown origin) using pNPP as substrate at pH 7 at 25 degC by spectrophotometric analysis

Bioorg Med Chem 23: 2798-809 (2015)


Article DOI: 10.1016/j.bmc.2015.03.066
BindingDB Entry DOI: 10.7270/Q2VD7168
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50112356
PNG
(CHEMBL3609373)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
Show InChI InChI=1S/C22H18IN3O6S/c23-15-6-8-16(9-7-15)25-21(28)22(29)26-18-12-10-17(11-13-18)24-20(27)19(33(30,31)32)14-4-2-1-3-5-14/h1-13,19H,(H,24,27)(H,25,28)(H,26,29)(H,30,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human PTPepsilon using pNPP as a substrate after 10 mins by spectrophotometer analysis

ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50112357
PNG
(CHEMBL3609375)
Show SMILES CC(C)c1ccc(NC(=O)C(=O)Nc2ccc(NC(=O)C(c3ccccc3)S(O)(=O)=O)cc2)cc1
Show InChI InChI=1S/C25H25N3O6S/c1-16(2)17-8-10-19(11-9-17)27-24(30)25(31)28-21-14-12-20(13-15-21)26-23(29)22(35(32,33)34)18-6-4-3-5-7-18/h3-16,22H,1-2H3,(H,26,29)(H,27,30)(H,28,31)(H,32,33,34)
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human PTPepsilon using pNPP as a substrate after 10 mins by spectrophotometer analysis

ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50112358
PNG
(CHEMBL3609374)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccccc2)cc1)c1ccccc1
Show InChI InChI=1S/C28H23N3O6S/c32-26(25(38(35,36)37)21-9-5-2-6-10-21)29-23-15-17-24(18-16-23)31-28(34)27(33)30-22-13-11-20(12-14-22)19-7-3-1-4-8-19/h1-18,25H,(H,29,32)(H,30,33)(H,31,34)(H,35,36,37)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human PTPepsilon using pNPP as a substrate after 10 mins by spectrophotometer analysis

ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50544427
PNG
(CHEMBL4632818 | US11192850, Entry 4g)
Show SMILES CN(C)c1cc(O)c(cc1C#Cc1cccc(NC(=O)C(O)=O)c1)C(O)=O
Show InChI InChI=1S/C19H16N2O6/c1-21(2)15-10-16(22)14(18(24)25)9-12(15)7-6-11-4-3-5-13(8-11)20-17(23)19(26)27/h3-5,8-10,22H,1-2H3,(H,20,23)(H,24,25)(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of PTPE (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis sp...

J Med Chem 63: 9212-9227 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00302
BindingDB Entry DOI: 10.7270/Q2QV3R3B
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50607110
PNG
(CHEMBL5219519)
Show SMILES Cc1c(Br)cc(NC(=O)CS(O)(=O)=O)cc1Br
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01143
BindingDB Entry DOI: 10.7270/Q2BK1HGF
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50263036
PNG
(3-Hydroxy-6-methoxy-8,8-dimethyl-1-oxo-1,3,4,7,8,9...)
Show SMILES COc1c2CC(C)(C)Cc2c2C(=O)OC(O)Cc2c1C=O
Show InChI InChI=1S/C16H18O5/c1-16(2)5-9-10(6-16)14(20-3)11(7-17)8-4-12(18)21-15(19)13(8)9/h7,12,18H,4-6H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of PTPep (unknown origin) using DiFMUP as substrate incubated for 30 mins followed by substrate addition at pH 6.5 by standard phosphatase...

J Nat Prod 82: 3386-3393 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00663
BindingDB Entry DOI: 10.7270/Q25H7KRW
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50262987
PNG
(CHEMBL506661 | Illudalic acid)
Show SMILES CC1(C)Cc2c(C1)c1C(=O)OC(O)Cc1c(C=O)c2O
Show InChI InChI=1S/C15H16O5/c1-15(2)4-8-9(5-15)13(18)10(6-16)7-3-11(17)20-14(19)12(7)8/h6,11,17-18H,3-5H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of PTPep (unknown origin) using DiFMUP as substrate incubated for 30 mins followed by substrate addition at pH 6.5 by standard phosphatase...

J Nat Prod 82: 3386-3393 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00663
BindingDB Entry DOI: 10.7270/Q25H7KRW
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50262987
PNG
(CHEMBL506661 | Illudalic acid)
Show SMILES CC1(C)Cc2c(C1)c1C(=O)OC(O)Cc1c(C=O)c2O
Show InChI InChI=1S/C15H16O5/c1-15(2)4-8-9(5-15)13(18)10(6-16)7-3-11(17)20-14(19)12(7)8/h6,11,17-18H,3-5H2,1-2H3
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University of Utah

Curated by ChEMBL


Assay Description
Inhibition of PTPep (unknown origin) using DiFMUP as substrate incubated for 30 mins followed by substrate addition at pH 6.5 by standard phosphatase...

J Nat Prod 82: 3386-3393 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00663
BindingDB Entry DOI: 10.7270/Q25H7KRW
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50558461
PNG
(CHEMBL4760367)
Show SMILES OS(=O)(=O)C(C(=O)Nc1nc2ccc(cc2s1)[N+]([O-])=O)c1ccccc1
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PTPepsilon (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50558485
PNG
(CHEMBL4800195)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(cc1)-n1ccnc1)c1ccccc1
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PTPepsilon (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50263036
PNG
(3-Hydroxy-6-methoxy-8,8-dimethyl-1-oxo-1,3,4,7,8,9...)
Show SMILES COc1c2CC(C)(C)Cc2c2C(=O)OC(O)Cc2c1C=O
Show InChI InChI=1S/C16H18O5/c1-16(2)5-9-10(6-16)14(20-3)11(7-17)8-4-12(18)21-15(19)13(8)9/h7,12,18H,4-6H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of PTPep (unknown origin) using DiFMUP as substrate incubated for 30 mins followed by substrate addition at pH 6.5 by standard phosphatase...

J Nat Prod 82: 3386-3393 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00663
BindingDB Entry DOI: 10.7270/Q25H7KRW
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50558484
PNG
(CHEMBL4748824)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(cc1)N1CCOCC1)c1ccccc1
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n/an/a>2.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PTPepsilon (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50558483
PNG
(CHEMBL4778085)
Show SMILES OS(=O)(=O)C(C(=O)Nc1cnc2ccccc2c1)c1ccccc1
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n/an/a>2.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PTPepsilon (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50558482
PNG
(CHEMBL4742123)
Show SMILES OS(=O)(=O)C(C(=O)Nc1nc2ccccc2s1)c1ccccc1
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n/an/a>2.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PTPepsilon (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50558481
PNG
(CHEMBL4783639)
Show SMILES OS(=O)(=O)C(C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
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n/an/a>2.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PTPepsilon (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50420258
PNG
(CEFSULODIN)
Show SMILES NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)C(c2ccccc2)S(O)(=O)=O)C3=O)C(O)=O)cc1 |t:8|
Show InChI InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/p+1/t15-,17?,21-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human PTPepsilon using pNPP as a substrate after 10 mins by spectrophotometer analysis

ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50558488
PNG
(CHEMBL4794972)
Show SMILES Cc1c(Br)cc(NC(=O)C(c2ccccc2)S(O)(=O)=O)cc1Br
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n/an/a>2.00E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01143
BindingDB Entry DOI: 10.7270/Q2BK1HGF
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50558488
PNG
(CHEMBL4794972)
Show SMILES Cc1c(Br)cc(NC(=O)C(c2ccccc2)S(O)(=O)=O)cc1Br
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n/an/a>2.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PTPepsilon (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50558486
PNG
(CHEMBL4797766)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc2nc([nH]c2c1)C(F)(F)F)c1ccccc1
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n/an/a>2.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PTPepsilon (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50558487
PNG
(CHEMBL4786243)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(OCc2ccccc2)c(Cl)c1)c1ccccc1
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n/an/a>2.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PTPepsilon (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50498446
PNG
(CHEMBL3596431)
Show SMILES OC(=O)c1cc2sc(Nc3cccc(Br)c3)nc2cc1O
Show InChI InChI=1S/C14H9BrN2O3S/c15-7-2-1-3-8(4-7)16-14-17-10-6-11(18)9(13(19)20)5-12(10)21-14/h1-6,18H,(H,16,17)(H,19,20)
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n/an/a>4.00E+5n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human PTPepsilon using pNPP substrate by spectrophotometry

Medchemcomm 5: 1496-1499 (2014)


Article DOI: 10.1039/c4md00099d
BindingDB Entry DOI: 10.7270/Q25D8VVW
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50188777
PNG
(CHEMBL213452 | ammonium N-[4-(2-{[(benzyloxy)carbo...)
Show SMILES CCOC(=O)C(Cc1ccc(NS([O-])(=O)=O)cc1)(NC(=O)OCc1ccccc1)C(=O)OC
Show InChI InChI=1S/C21H24N2O9S/c1-3-31-19(25)21(18(24)30-2,22-20(26)32-14-16-7-5-4-6-8-16)13-15-9-11-17(12-10-15)23-33(27,28)29/h4-12,23H,3,13-14H2,1-2H3,(H,22,26)(H,27,28,29)/p-1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HPTP epsilon

Bioorg Med Chem Lett 16: 4252-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.074
BindingDB Entry DOI: 10.7270/Q2D50MK4
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50188784
PNG
(CHEMBL385251 | ammonium N-{4-[3-methoxy-2-(methoxy...)
Show SMILES COC(=O)C(CCCc1ccccc1)(Cc1ccc(NS([O-])(=O)=O)cc1)C(=O)OC
Show InChI InChI=1S/C21H25NO7S/c1-28-19(23)21(20(24)29-2,14-6-9-16-7-4-3-5-8-16)15-17-10-12-18(13-11-17)22-30(25,26)27/h3-5,7-8,10-13,22H,6,9,14-15H2,1-2H3,(H,25,26,27)/p-1
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Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HPTP epsilon

Bioorg Med Chem Lett 16: 4252-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.074
BindingDB Entry DOI: 10.7270/Q2D50MK4
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50188779
PNG
(CHEMBL378423 | ammonium N-{4-[4-ethoxy-2,2-bis(met...)
Show SMILES CCOC(=O)CC(Cc1ccc(NS([O-])(=O)=O)cc1)(C(=O)OC)C(=O)OC
Show InChI InChI=1S/C16H21NO9S/c1-4-26-13(18)10-16(14(19)24-2,15(20)25-3)9-11-5-7-12(8-6-11)17-27(21,22)23/h5-8,17H,4,9-10H2,1-3H3,(H,21,22,23)/p-1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HPTP epsilon

Bioorg Med Chem Lett 16: 4252-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.074
BindingDB Entry DOI: 10.7270/Q2D50MK4
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon


(Homo sapiens (Human))		BDBM50071058
PNG
((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17|
Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Helmholtz Zentrum M�nchen

Curated by ChEMBL


Assay Description
Inhibition of human PTPRE (107 to 707 residues) expressed in Escherichia coli strain BL21(DE3) using DiFMUP as substrate preincubated for 10 mins fol...

J Med Chem 61: 11144-11157 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01224
BindingDB Entry DOI: 10.7270/Q2G44TN9
More data for this
Ligand-Target Pair