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Compile Data Set for Download or QSAR

Found 67 hits with Last Name = 'dong' and Initial = 'wl'   
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
Ketol-acid reductoisomerase


(Escherichia coli)
BDBM82145
PNG
(N-hydroxy-N-isopropyloxamate, IpOHA)
Show SMILES CC(C)N(O)C(=O)C([O-])=O
Show InChI InChI=1S/C5H9NO4/c1-3(2)6(10)4(7)5(8)9/h3,10H,1-2H3,(H,8,9)/p-1
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2.75E+3 -32.3n/an/an/an/an/a8.030



Nankai University



Assay Description
Inhibition of E. coli KARI (ketol-acid reductoisomerase) is time dependent, and activity was measured by the decrease in A340 at 30 C in solutions co...


Chem Biol Drug Des 75: 228-32 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00924.x
BindingDB Entry DOI: 10.7270/Q2BV7F45
More data for this
Ligand-Target Pair
Ketol-acid reductoisomerase


(Escherichia coli)
BDBM82144
PNG
(Cyclopropane, 5)
Show SMILES NC(=O)C1(CC1)C(O)=O
Show InChI InChI=1S/C5H7NO3/c6-3(7)5(1-2-5)4(8)9/h1-2H2,(H2,6,7)(H,8,9)
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3.12E+4 -26.2n/an/an/an/an/a8.030



Nankai University



Assay Description
Inhibition of E. coli KARI (ketol-acid reductoisomerase) is time dependent, and activity was measured by the decrease in A340 at 30 C in solutions co...


Chem Biol Drug Des 75: 228-32 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00924.x
BindingDB Entry DOI: 10.7270/Q2BV7F45
More data for this
Ligand-Target Pair
Ketol-acid reductoisomerase


(Escherichia coli)
BDBM82142
PNG
(Cyclopropane, 3)
Show SMILES OC(=O)C1(CC1)C(O)=O
Show InChI InChI=1S/C5H6O4/c6-3(7)5(1-2-5)4(8)9/h1-2H2,(H,6,7)(H,8,9)
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7.66E+4 -23.9n/an/an/an/an/a8.030



Nankai University



Assay Description
Inhibition of E. coli KARI (ketol-acid reductoisomerase) is time dependent, and activity was measured by the decrease in A340 at 30 C in solutions co...


Chem Biol Drug Des 75: 228-32 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00924.x
BindingDB Entry DOI: 10.7270/Q2BV7F45
More data for this
Ligand-Target Pair
Ketol-acid reductoisomerase


(Escherichia coli)
BDBM82143
PNG
(Cyclopropane, 4)
Show SMILES OC(=O)C1(CC1)C#N
Show InChI InChI=1S/C5H5NO2/c6-3-5(1-2-5)4(7)8/h1-2H2,(H,7,8)
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9.53E+4 -23.3n/an/an/an/an/a8.030



Nankai University



Assay Description
Inhibition of E. coli KARI (ketol-acid reductoisomerase) is time dependent, and activity was measured by the decrease in A340 at 30 C in solutions co...


Chem Biol Drug Des 75: 228-32 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00924.x
BindingDB Entry DOI: 10.7270/Q2BV7F45
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50127122
PNG
(CHEMBL3628469)
Show SMILES Clc1ccc(COc2ccc(\C=C3\N(Cc4ccc(Cl)cc4Cl)C(=O)NC3=O)cc2)c(Cl)c1
Show InChI InChI=1S/C24H16Cl4N2O3/c25-17-5-3-15(20(27)10-17)12-30-22(23(31)29-24(30)32)9-14-1-7-19(8-2-14)33-13-16-4-6-18(26)11-21(16)28/h1-11H,12-13H2,(H,29,31,32)/b22-9+
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n/an/a 570n/an/an/an/an/an/a



Tianjin Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry


Eur J Med Chem 103: 91-104 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.037
BindingDB Entry DOI: 10.7270/Q2PK0HZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50127132
PNG
(CHEMBL3628484)
Show SMILES COC(=O)c1ccc(COc2ccc(\C=C3\N(Cc4ccccc4)C(=O)N(Cc4ccc(cc4)C(=O)OC)C3=O)cc2)cc1
Show InChI InChI=1S/C35H30N2O7/c1-42-33(39)28-14-8-26(9-15-28)22-37-32(38)31(36(35(37)41)21-25-6-4-3-5-7-25)20-24-12-18-30(19-13-24)44-23-27-10-16-29(17-11-27)34(40)43-2/h3-20H,21-23H2,1-2H3/b31-20+
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n/an/a 960n/an/an/an/an/an/a



Tianjin Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry


Eur J Med Chem 103: 91-104 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.037
BindingDB Entry DOI: 10.7270/Q2PK0HZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50127100
PNG
(CHEMBL3628468)
Show SMILES Clc1ccc(COc2ccc(\C=C3\N(Cc4ccc(Cl)c(Cl)c4)C(=O)NC3=O)cc2)cc1Cl
Show InChI InChI=1S/C24H16Cl4N2O3/c25-18-7-3-15(9-20(18)27)12-30-22(23(31)29-24(30)32)11-14-1-5-17(6-2-14)33-13-16-4-8-19(26)21(28)10-16/h1-11H,12-13H2,(H,29,31,32)/b22-11+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Tianjin Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry


Eur J Med Chem 103: 91-104 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.037
BindingDB Entry DOI: 10.7270/Q2PK0HZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50127125
PNG
(CHEMBL3628475)
Show SMILES Clc1ccc(COc2ccc(\C=C3\NC(=O)NC3=O)cc2)c(Cl)c1
Show InChI InChI=1S/C17H12Cl2N2O3/c18-12-4-3-11(14(19)8-12)9-24-13-5-1-10(2-6-13)7-15-16(22)21-17(23)20-15/h1-8H,9H2,(H2,20,21,22,23)/b15-7+
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n/an/a 1.70E+3n/an/an/an/an/an/a



Tianjin Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry


Eur J Med Chem 103: 91-104 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.037
BindingDB Entry DOI: 10.7270/Q2PK0HZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM106797
PNG
((5Z)‐5‐({3‐[(3,4‐ dichloro...)
Show SMILES Clc1ccc(COc2cccc(\C=C3/NC(=O)NC3=O)c2)cc1Cl
Show InChI InChI=1S/C17H12Cl2N2O3/c18-13-5-4-11(7-14(13)19)9-24-12-3-1-2-10(6-12)8-15-16(22)21-17(23)20-15/h1-8H,9H2,(H2,20,21,22,23)/b15-8-
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n/an/a 2.80E+3n/an/an/an/a6.037



Tianjin Medical University



Assay Description
The enzyme activity was measured using p-nitrophenyl phosphate (pNPP) as substrate in a 96-well plate and by detecting the absorbance at 405 nm for t...


Chem Biol Drug Des 82: 595-602 (2013)


Article DOI: 10.1111/cbdd.12189
BindingDB Entry DOI: 10.7270/Q2K64GQP
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50127121
PNG
(CHEMBL3628467)
Show SMILES Clc1ccc(COc2ccc(\C=C3\N(Cc4ccc(Cl)cc4)C(=O)NC3=O)cc2)cc1
Show InChI InChI=1S/C24H18Cl2N2O3/c25-19-7-1-17(2-8-19)14-28-22(23(29)27-24(28)30)13-16-5-11-21(12-6-16)31-15-18-3-9-20(26)10-4-18/h1-13H,14-15H2,(H,27,29,30)/b22-13+
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n/an/a 3.30E+3n/an/an/an/an/an/a



Tianjin Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry


Eur J Med Chem 103: 91-104 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.037
BindingDB Entry DOI: 10.7270/Q2PK0HZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM106800
PNG
((5Z)‐5‐({4‐[(4‐ methoxyphe...)
Show SMILES COc1ccc(COc2ccc(\C=C3/NC(=O)NC3=O)cc2)cc1
Show InChI InChI=1S/C18H16N2O4/c1-23-14-6-4-13(5-7-14)11-24-15-8-2-12(3-9-15)10-16-17(21)20-18(22)19-16/h2-10H,11H2,1H3,(H2,19,20,21,22)/b16-10-
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n/an/a 3.40E+3n/an/an/an/a6.037



Tianjin Medical University



Assay Description
The enzyme activity was measured using p-nitrophenyl phosphate (pNPP) as substrate in a 96-well plate and by detecting the absorbance at 405 nm for t...


Chem Biol Drug Des 82: 595-602 (2013)


Article DOI: 10.1111/cbdd.12189
BindingDB Entry DOI: 10.7270/Q2K64GQP
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50127101
PNG
(CHEMBL3628470)
Show SMILES COc1ccc(COc2ccc(\C=C3\N(Cc4ccc(OC)cc4)C(=O)NC3=O)cc2)cc1
Show InChI InChI=1S/C26H24N2O5/c1-31-21-9-5-19(6-10-21)16-28-24(25(29)27-26(28)30)15-18-3-13-23(14-4-18)33-17-20-7-11-22(32-2)12-8-20/h3-15H,16-17H2,1-2H3,(H,27,29,30)/b24-15+
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n/an/a 3.40E+3n/an/an/an/an/an/a



Tianjin Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry


Eur J Med Chem 103: 91-104 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.037
BindingDB Entry DOI: 10.7270/Q2PK0HZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50127096
PNG
(CHEMBL3628384)
Show SMILES Clc1ccccc1COc1ccc(\C=C2\N(Cc3ccccc3Cl)C(=O)N(Cc3ccccc3Cl)C2=O)cc1
Show InChI InChI=1S/C31H23Cl3N2O3/c32-26-10-4-1-7-22(26)18-35-29(30(37)36(31(35)38)19-23-8-2-5-11-27(23)33)17-21-13-15-25(16-14-21)39-20-24-9-3-6-12-28(24)34/h1-17H,18-20H2/b29-17+
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n/an/a 3.50E+3n/an/an/an/an/an/a



Tianjin Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry


Eur J Med Chem 103: 91-104 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.037
BindingDB Entry DOI: 10.7270/Q2PK0HZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50127098
PNG
(CHEMBL3628464)
Show SMILES Clc1ccc(COc2ccc(\C=C3\N(Cc4ccc(Cl)c(Cl)c4)C(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1Cl
Show InChI InChI=1S/C31H20Cl6N2O3/c32-23-8-3-19(11-26(23)35)15-38-29(30(40)39(31(38)41)16-20-4-9-24(33)27(36)12-20)14-18-1-6-22(7-2-18)42-17-21-5-10-25(34)28(37)13-21/h1-14H,15-17H2/b29-14+
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n/an/a 4.10E+3n/an/an/an/an/an/a



Tianjin Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry


Eur J Med Chem 103: 91-104 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.037
BindingDB Entry DOI: 10.7270/Q2PK0HZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM106791
PNG
((5Z)‐5‐({2‐[(2,4‐ dichloro...)
Show SMILES Clc1ccc(COc2ccccc2\C=C2/NC(=O)NC2=O)c(Cl)c1
Show InChI InChI=1S/C17H12Cl2N2O3/c18-12-6-5-11(13(19)8-12)9-24-15-4-2-1-3-10(15)7-14-16(22)21-17(23)20-14/h1-8H,9H2,(H2,20,21,22,23)/b14-7-
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n/an/a 4.10E+3n/an/an/an/a6.037



Tianjin Medical University



Assay Description
The enzyme activity was measured using p-nitrophenyl phosphate (pNPP) as substrate in a 96-well plate and by detecting the absorbance at 405 nm for t...


Chem Biol Drug Des 82: 595-602 (2013)


Article DOI: 10.1111/cbdd.12189
BindingDB Entry DOI: 10.7270/Q2K64GQP
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM106796
PNG
((5Z)‐5‐({3‐[(2,4‐ dichloro...)
Show SMILES Clc1ccc(COc2cccc(\C=C3/NC(=O)NC3=O)c2)c(Cl)c1
Show InChI InChI=1S/C17H12Cl2N2O3/c18-12-5-4-11(14(19)8-12)9-24-13-3-1-2-10(6-13)7-15-16(22)21-17(23)20-15/h1-8H,9H2,(H2,20,21,22,23)/b15-7-
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n/an/a 4.10E+3n/an/an/an/a6.037



Tianjin Medical University



Assay Description
The enzyme activity was measured using p-nitrophenyl phosphate (pNPP) as substrate in a 96-well plate and by detecting the absorbance at 405 nm for t...


Chem Biol Drug Des 82: 595-602 (2013)


Article DOI: 10.1111/cbdd.12189
BindingDB Entry DOI: 10.7270/Q2K64GQP
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM106790
PNG
((5Z)‐5‐({2‐[(4‐ chlorophen...)
Show SMILES Clc1ccc(COc2ccccc2\C=C2/NC(=O)NC2=O)cc1
Show InChI InChI=1S/C17H13ClN2O3/c18-13-7-5-11(6-8-13)10-23-15-4-2-1-3-12(15)9-14-16(21)20-17(22)19-14/h1-9H,10H2,(H2,19,20,21,22)/b14-9-
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n/an/a 4.60E+3n/an/an/an/a6.037



Tianjin Medical University



Assay Description
The enzyme activity was measured using p-nitrophenyl phosphate (pNPP) as substrate in a 96-well plate and by detecting the absorbance at 405 nm for t...


Chem Biol Drug Des 82: 595-602 (2013)


Article DOI: 10.1111/cbdd.12189
BindingDB Entry DOI: 10.7270/Q2K64GQP
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM106798
PNG
((5Z)‐5‐({4‐[(2,4‐ dichloro...)
Show SMILES Clc1ccc(COc2ccc(\C=C3/NC(=O)NC3=O)cc2)c(Cl)c1
Show InChI InChI=1S/C17H12Cl2N2O3/c18-12-4-3-11(14(19)8-12)9-24-13-5-1-10(2-6-13)7-15-16(22)21-17(23)20-15/h1-8H,9H2,(H2,20,21,22,23)/b15-7-
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n/an/a 5.00E+3n/an/an/an/a6.037



Tianjin Medical University



Assay Description
The enzyme activity was measured using p-nitrophenyl phosphate (pNPP) as substrate in a 96-well plate and by detecting the absorbance at 405 nm for t...


Chem Biol Drug Des 82: 595-602 (2013)


Article DOI: 10.1111/cbdd.12189
BindingDB Entry DOI: 10.7270/Q2K64GQP
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50127131
PNG
(CHEMBL3628539)
Show SMILES COC(=O)c1ccc(CN2C(=O)N(Cc3ccccc3)\C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1
Show InChI InChI=1S/C33H28N2O5/c1-39-32(37)28-16-12-26(13-17-28)22-35-31(36)30(34(33(35)38)21-25-8-4-2-5-9-25)20-24-14-18-29(19-15-24)40-23-27-10-6-3-7-11-27/h2-20H,21-23H2,1H3/b30-20+
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n/an/a 5.10E+3n/an/an/an/an/an/a



Tianjin Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry


Eur J Med Chem 103: 91-104 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.037
BindingDB Entry DOI: 10.7270/Q2PK0HZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50127126
PNG
(CHEMBL3628548)
Show SMILES COC(=O)c1ccc(COC(=O)CN2C(=O)N(Cc3ccccc3)\C(=C\c3ccc(OCc4ccc(cc4)C(=O)OC)cc3)C2=O)cc1
Show InChI InChI=1S/C37H32N2O9/c1-45-35(42)29-14-8-27(9-15-29)23-47-31-18-12-25(13-19-31)20-32-34(41)39(37(44)38(32)21-26-6-4-3-5-7-26)22-33(40)48-24-28-10-16-30(17-11-28)36(43)46-2/h3-20H,21-24H2,1-2H3/b32-20+
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n/an/a 5.40E+3n/an/an/an/an/an/a



Tianjin Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry


Eur J Med Chem 103: 91-104 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.037
BindingDB Entry DOI: 10.7270/Q2PK0HZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50127119
PNG
(CHEMBL3628463)
Show SMILES Clc1ccc(COc2ccc(\C=C3\N(Cc4ccc(Cl)cc4Cl)C(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)cc2)c(Cl)c1
Show InChI InChI=1S/C31H20Cl6N2O3/c32-22-6-3-19(26(35)12-22)15-38-29(30(40)39(31(38)41)16-20-4-7-23(33)13-27(20)36)11-18-1-9-25(10-2-18)42-17-21-5-8-24(34)14-28(21)37/h1-14H,15-17H2/b29-11+
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n/an/a 6.60E+3n/an/an/an/an/an/a



Tianjin Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry


Eur J Med Chem 103: 91-104 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.037
BindingDB Entry DOI: 10.7270/Q2PK0HZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50127116
PNG
(CHEMBL3628481)
Show SMILES COC(=O)CN1C(=O)N(Cc2ccccc2)\C(=C\c2ccc(OCc3ccc(cc3)C(=O)OC)cc2)C1=O
Show InChI InChI=1S/C29H26N2O7/c1-36-26(32)18-31-27(33)25(30(29(31)35)17-21-6-4-3-5-7-21)16-20-10-14-24(15-11-20)38-19-22-8-12-23(13-9-22)28(34)37-2/h3-16H,17-19H2,1-2H3/b25-16+
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n/an/a 6.80E+3n/an/an/an/an/an/a



Tianjin Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry


Eur J Med Chem 103: 91-104 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.037
BindingDB Entry DOI: 10.7270/Q2PK0HZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50127097
PNG
(CHEMBL3628462)
Show SMILES COc1ccc(COc2ccc(\C=C3\N(Cc4ccc(OC)cc4)C(=O)N(Cc4ccc(OC)cc4)C3=O)cc2)cc1
Show InChI InChI=1S/C34H32N2O6/c1-39-28-12-6-25(7-13-28)21-35-32(33(37)36(34(35)38)22-26-8-14-29(40-2)15-9-26)20-24-4-18-31(19-5-24)42-23-27-10-16-30(41-3)17-11-27/h4-20H,21-23H2,1-3H3/b32-20+
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n/an/a 7.40E+3n/an/an/an/an/an/a



Tianjin Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry


Eur J Med Chem 103: 91-104 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.037
BindingDB Entry DOI: 10.7270/Q2PK0HZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50127115
PNG
(CHEMBL3628480)
Show SMILES COC(=O)c1ccc(CN2C(=O)N(Cc3ccccc3)\C(=C\c3ccc(O)cc3)C2=O)cc1
Show InChI InChI=1S/C26H22N2O5/c1-33-25(31)21-11-7-20(8-12-21)17-28-24(30)23(15-18-9-13-22(29)14-10-18)27(26(28)32)16-19-5-3-2-4-6-19/h2-15,29H,16-17H2,1H3/b23-15+
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n/an/a 8.10E+3n/an/an/an/an/an/a



Tianjin Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry


Eur J Med Chem 103: 91-104 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.037
BindingDB Entry DOI: 10.7270/Q2PK0HZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50127110
PNG
(CHEMBL3628538)
Show SMILES COC(=O)COc1ccc(\C=C2\N(Cc3ccccc3)C(=O)N(Cc3ccc(cc3)C(=O)OC)C2=O)cc1
Show InChI InChI=1S/C29H26N2O7/c1-36-26(32)19-38-24-14-10-20(11-15-24)16-25-27(33)31(18-22-8-12-23(13-9-22)28(34)37-2)29(35)30(25)17-21-6-4-3-5-7-21/h3-16H,17-19H2,1-2H3/b25-16+
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n/an/a 9.70E+3n/an/an/an/an/an/a



Tianjin Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry


Eur J Med Chem 103: 91-104 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.037
BindingDB Entry DOI: 10.7270/Q2PK0HZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50127120
PNG
(CHEMBL3628465)
Show SMILES O=C1NC(=O)\C(=C/c2ccc(OCc3ccccc3)cc2)N1Cc1ccccc1
Show InChI InChI=1S/C24H20N2O3/c27-23-22(26(24(28)25-23)16-19-7-3-1-4-8-19)15-18-11-13-21(14-12-18)29-17-20-9-5-2-6-10-20/h1-15H,16-17H2,(H,25,27,28)/b22-15+
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n/an/a 1.00E+4n/an/an/an/an/an/a



Tianjin Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry


Eur J Med Chem 103: 91-104 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.037
BindingDB Entry DOI: 10.7270/Q2PK0HZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50127113
PNG
(CHEMBL3628478)
Show SMILES Clc1ccc(COc2ccc(\C=C3\NC(=O)NC3=O)cc2)cc1Cl
Show InChI InChI=1S/C17H12Cl2N2O3/c18-13-6-3-11(7-14(13)19)9-24-12-4-1-10(2-5-12)8-15-16(22)21-17(23)20-15/h1-8H,9H2,(H2,20,21,22,23)/b15-8+
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n/an/a 1.10E+4n/an/an/an/an/an/a



Tianjin Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry


Eur J Med Chem 103: 91-104 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.037
BindingDB Entry DOI: 10.7270/Q2PK0HZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50127109
PNG
(CHEMBL3628540)
Show SMILES CCOC(=O)CN1C(=O)N(Cc2ccccc2)\C(=C\c2ccc(OCc3ccccc3)cc2)C1=O
Show InChI InChI=1S/C28H26N2O5/c1-2-34-26(31)19-30-27(32)25(29(28(30)33)18-22-9-5-3-6-10-22)17-21-13-15-24(16-14-21)35-20-23-11-7-4-8-12-23/h3-17H,2,18-20H2,1H3/b25-17+
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n/an/a 1.10E+4n/an/an/an/an/an/a



Tianjin Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry


Eur J Med Chem 103: 91-104 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.037
BindingDB Entry DOI: 10.7270/Q2PK0HZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50127118
PNG
(CHEMBL3628461)
Show SMILES O=C(COc1ccc(\C=C2\N(CC(=O)c3ccccc3)C(=O)N(CC(=O)c3ccccc3)C2=O)cc1)c1ccccc1
Show InChI InChI=1S/C34H26N2O6/c37-30(25-10-4-1-5-11-25)21-35-29(33(40)36(34(35)41)22-31(38)26-12-6-2-7-13-26)20-24-16-18-28(19-17-24)42-23-32(39)27-14-8-3-9-15-27/h1-20H,21-23H2/b29-20+
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n/an/a 1.10E+4n/an/an/an/an/an/a



Tianjin Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry


Eur J Med Chem 103: 91-104 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.037
BindingDB Entry DOI: 10.7270/Q2PK0HZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM106799
PNG
((5Z)‐5‐({4‐[(3,4‐ dichloro...)
Show SMILES Clc1ccc(COc2ccc(\C=C3/NC(=O)NC3=O)cc2)cc1Cl
Show InChI InChI=1S/C17H12Cl2N2O3/c18-13-6-3-11(7-14(13)19)9-24-12-4-1-10(2-5-12)8-15-16(22)21-17(23)20-15/h1-8H,9H2,(H2,20,21,22,23)/b15-8-
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n/an/a 1.10E+4n/an/an/an/a6.037



Tianjin Medical University



Assay Description
The enzyme activity was measured using p-nitrophenyl phosphate (pNPP) as substrate in a 96-well plate and by detecting the absorbance at 405 nm for t...


Chem Biol Drug Des 82: 595-602 (2013)


Article DOI: 10.1111/cbdd.12189
BindingDB Entry DOI: 10.7270/Q2K64GQP
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM106793
PNG
((5Z)‐5‐{[3‐(2‐ phenylethox...)
Show SMILES O=C1NC(=O)\C(N1)=C\c1cccc(OCCc2ccccc2)c1
Show InChI InChI=1S/C18H16N2O3/c21-17-16(19-18(22)20-17)12-14-7-4-8-15(11-14)23-10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H2,19,20,21,22)/b16-12-
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n/an/a 1.14E+4n/an/an/an/a6.037



Tianjin Medical University



Assay Description
The enzyme activity was measured using p-nitrophenyl phosphate (pNPP) as substrate in a 96-well plate and by detecting the absorbance at 405 nm for t...


Chem Biol Drug Des 82: 595-602 (2013)


Article DOI: 10.1111/cbdd.12189
BindingDB Entry DOI: 10.7270/Q2K64GQP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM106798
PNG
((5Z)‐5‐({4‐[(2,4‐ dichloro...)
Show SMILES Clc1ccc(COc2ccc(\C=C3/NC(=O)NC3=O)cc2)c(Cl)c1
Show InChI InChI=1S/C17H12Cl2N2O3/c18-12-4-3-11(14(19)8-12)9-24-13-5-1-10(2-6-13)7-15-16(22)21-17(23)20-15/h1-8H,9H2,(H2,20,21,22,23)/b15-7-
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n/an/a 1.16E+4n/an/an/an/a6.037



Tianjin Medical University



Assay Description
The enzyme activity was measured using p-nitrophenyl phosphate (pNPP) as substrate in a 96-well plate and by detecting the absorbance at 405 nm for t...


Chem Biol Drug Des 82: 595-602 (2013)


Article DOI: 10.1111/cbdd.12189
BindingDB Entry DOI: 10.7270/Q2K64GQP
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50127112
PNG
(CHEMBL3628477)
Show SMILES O=C1NC(=O)\C(N1)=C/c1ccc(OCCCc2ccccc2)cc1
Show InChI InChI=1S/C19H18N2O3/c22-18-17(20-19(23)21-18)13-15-8-10-16(11-9-15)24-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H2,20,21,22,23)/b17-13+
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n/an/a 1.40E+4n/an/an/an/an/an/a



Tianjin Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry


Eur J Med Chem 103: 91-104 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.037
BindingDB Entry DOI: 10.7270/Q2PK0HZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50127103
PNG
(CHEMBL3628474)
Show SMILES Clc1ccccc1COc1ccc(\C=C2\NC(=O)NC2=O)cc1
Show InChI InChI=1S/C17H13ClN2O3/c18-14-4-2-1-3-12(14)10-23-13-7-5-11(6-8-13)9-15-16(21)20-17(22)19-15/h1-9H,10H2,(H2,19,20,21,22)/b15-9+
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n/an/a 1.50E+4n/an/an/an/an/an/a



Tianjin Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry


Eur J Med Chem 103: 91-104 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.037
BindingDB Entry DOI: 10.7270/Q2PK0HZF
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM106791
PNG
((5Z)‐5‐({2‐[(2,4‐ dichloro...)
Show SMILES Clc1ccc(COc2ccccc2\C=C2/NC(=O)NC2=O)c(Cl)c1
Show InChI InChI=1S/C17H12Cl2N2O3/c18-12-6-5-11(13(19)8-12)9-24-15-4-2-1-3-10(15)7-14-16(22)21-17(23)20-14/h1-8H,9H2,(H2,20,21,22,23)/b14-7-
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n/an/a 1.87E+4n/an/an/an/a6.037



Tianjin Medical University



Assay Description
The enzyme activity was measured using p-nitrophenyl phosphate (pNPP) as substrate in a 96-well plate and by detecting the absorbance at 405 nm for t...


Chem Biol Drug Des 82: 595-602 (2013)


Article DOI: 10.1111/cbdd.12189
BindingDB Entry DOI: 10.7270/Q2K64GQP
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50127117
PNG
(CHEMBL3628550)
Show SMILES COC(=O)COC(=O)c1ccc(CN2C(=O)N(Cc3ccccc3)\C(=C\c3ccc(OCC(=O)OC)cc3)C2=O)cc1
Show InChI InChI=1S/C31H28N2O9/c1-39-27(34)19-41-25-14-10-21(11-15-25)16-26-29(36)33(31(38)32(26)17-22-6-4-3-5-7-22)18-23-8-12-24(13-9-23)30(37)42-20-28(35)40-2/h3-16H,17-20H2,1-2H3/b26-16+
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n/an/a 2.20E+4n/an/an/an/an/an/a



Tianjin Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry


Eur J Med Chem 103: 91-104 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.037
BindingDB Entry DOI: 10.7270/Q2PK0HZF
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM106794
PNG
((5Z)‐5‐{[3‐(3‐ phenylpropo...)
Show SMILES O=C1NC(=O)\C(N1)=C\c1cccc(OCCCc2ccccc2)c1
Show InChI InChI=1S/C19H18N2O3/c22-18-17(20-19(23)21-18)13-15-8-4-10-16(12-15)24-11-5-9-14-6-2-1-3-7-14/h1-4,6-8,10,12-13H,5,9,11H2,(H2,20,21,22,23)/b17-13-
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n/an/a 2.23E+4n/an/an/an/a6.037



Tianjin Medical University



Assay Description
The enzyme activity was measured using p-nitrophenyl phosphate (pNPP) as substrate in a 96-well plate and by detecting the absorbance at 405 nm for t...


Chem Biol Drug Des 82: 595-602 (2013)


Article DOI: 10.1111/cbdd.12189
BindingDB Entry DOI: 10.7270/Q2K64GQP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM106800
PNG
((5Z)‐5‐({4‐[(4‐ methoxyphe...)
Show SMILES COc1ccc(COc2ccc(\C=C3/NC(=O)NC3=O)cc2)cc1
Show InChI InChI=1S/C18H16N2O4/c1-23-14-6-4-13(5-7-14)11-24-15-8-2-12(3-9-15)10-16-17(21)20-18(22)19-16/h2-10H,11H2,1H3,(H2,19,20,21,22)/b16-10-
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n/an/a 3.14E+4n/an/an/an/a6.037



Tianjin Medical University



Assay Description
The enzyme activity was measured using p-nitrophenyl phosphate (pNPP) as substrate in a 96-well plate and by detecting the absorbance at 405 nm for t...


Chem Biol Drug Des 82: 595-602 (2013)


Article DOI: 10.1111/cbdd.12189
BindingDB Entry DOI: 10.7270/Q2K64GQP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM106797
PNG
((5Z)‐5‐({3‐[(3,4‐ dichloro...)
Show SMILES Clc1ccc(COc2cccc(\C=C3/NC(=O)NC3=O)c2)cc1Cl
Show InChI InChI=1S/C17H12Cl2N2O3/c18-13-5-4-11(7-14(13)19)9-24-12-3-1-2-10(6-12)8-15-16(22)21-17(23)20-15/h1-8H,9H2,(H2,20,21,22,23)/b15-8-
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n/an/a 3.36E+4n/an/an/an/a6.037



Tianjin Medical University



Assay Description
The enzyme activity was measured using p-nitrophenyl phosphate (pNPP) as substrate in a 96-well plate and by detecting the absorbance at 405 nm for t...


Chem Biol Drug Des 82: 595-602 (2013)


Article DOI: 10.1111/cbdd.12189
BindingDB Entry DOI: 10.7270/Q2K64GQP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM106799
PNG
((5Z)‐5‐({4‐[(3,4‐ dichloro...)
Show SMILES Clc1ccc(COc2ccc(\C=C3/NC(=O)NC3=O)cc2)cc1Cl
Show InChI InChI=1S/C17H12Cl2N2O3/c18-13-6-3-11(7-14(13)19)9-24-12-4-1-10(2-5-12)8-15-16(22)21-17(23)20-15/h1-8H,9H2,(H2,20,21,22,23)/b15-8-
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n/an/a 3.39E+4n/an/an/an/a6.037



Tianjin Medical University



Assay Description
The enzyme activity was measured using p-nitrophenyl phosphate (pNPP) as substrate in a 96-well plate and by detecting the absorbance at 405 nm for t...


Chem Biol Drug Des 82: 595-602 (2013)


Article DOI: 10.1111/cbdd.12189
BindingDB Entry DOI: 10.7270/Q2K64GQP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM106790
PNG
((5Z)‐5‐({2‐[(4‐ chlorophen...)
Show SMILES Clc1ccc(COc2ccccc2\C=C2/NC(=O)NC2=O)cc1
Show InChI InChI=1S/C17H13ClN2O3/c18-13-7-5-11(6-8-13)10-23-15-4-2-1-3-12(15)9-14-16(21)20-17(22)19-14/h1-9H,10H2,(H2,19,20,21,22)/b14-9-
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n/an/a 3.59E+4n/an/an/an/a6.037



Tianjin Medical University



Assay Description
The enzyme activity was measured using p-nitrophenyl phosphate (pNPP) as substrate in a 96-well plate and by detecting the absorbance at 405 nm for t...


Chem Biol Drug Des 82: 595-602 (2013)


Article DOI: 10.1111/cbdd.12189
BindingDB Entry DOI: 10.7270/Q2K64GQP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM106789
PNG
((5Z)‐5‐({2‐[(3‐ chlorophen...)
Show SMILES Clc1cccc(COc2ccccc2\C=C2/NC(=O)NC2=O)c1
Show InChI InChI=1S/C17H13ClN2O3/c18-13-6-3-4-11(8-13)10-23-15-7-2-1-5-12(15)9-14-16(21)20-17(22)19-14/h1-9H,10H2,(H2,19,20,21,22)/b14-9-
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n/an/a 3.68E+4n/an/an/an/a6.037



Tianjin Medical University



Assay Description
The enzyme activity was measured using p-nitrophenyl phosphate (pNPP) as substrate in a 96-well plate and by detecting the absorbance at 405 nm for t...


Chem Biol Drug Des 82: 595-602 (2013)


Article DOI: 10.1111/cbdd.12189
BindingDB Entry DOI: 10.7270/Q2K64GQP
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM106789
PNG
((5Z)‐5‐({2‐[(3‐ chlorophen...)
Show SMILES Clc1cccc(COc2ccccc2\C=C2/NC(=O)NC2=O)c1
Show InChI InChI=1S/C17H13ClN2O3/c18-13-6-3-4-11(8-13)10-23-15-7-2-1-5-12(15)9-14-16(21)20-17(22)19-14/h1-9H,10H2,(H2,19,20,21,22)/b14-9-
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n/an/a 3.74E+4n/an/an/an/a6.037



Tianjin Medical University



Assay Description
The enzyme activity was measured using p-nitrophenyl phosphate (pNPP) as substrate in a 96-well plate and by detecting the absorbance at 405 nm for t...


Chem Biol Drug Des 82: 595-602 (2013)


Article DOI: 10.1111/cbdd.12189
BindingDB Entry DOI: 10.7270/Q2K64GQP
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM106795
PNG
((5Z)‐5‐({3‐[(4‐ chlorophen...)
Show SMILES Clc1ccc(COc2cccc(\C=C3/NC(=O)NC3=O)c2)cc1
Show InChI InChI=1S/C17H13ClN2O3/c18-13-6-4-11(5-7-13)10-23-14-3-1-2-12(8-14)9-15-16(21)20-17(22)19-15/h1-9H,10H2,(H2,19,20,21,22)/b15-9-
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n/an/a 4.08E+4n/an/an/an/a6.037



Tianjin Medical University



Assay Description
The enzyme activity was measured using p-nitrophenyl phosphate (pNPP) as substrate in a 96-well plate and by detecting the absorbance at 405 nm for t...


Chem Biol Drug Des 82: 595-602 (2013)


Article DOI: 10.1111/cbdd.12189
BindingDB Entry DOI: 10.7270/Q2K64GQP
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM106794
PNG
((5Z)‐5‐{[3‐(3‐ phenylpropo...)
Show SMILES O=C1NC(=O)\C(N1)=C\c1cccc(OCCCc2ccccc2)c1
Show InChI InChI=1S/C19H18N2O3/c22-18-17(20-19(23)21-18)13-15-8-4-10-16(12-15)24-11-5-9-14-6-2-1-3-7-14/h1-4,6-8,10,12-13H,5,9,11H2,(H2,20,21,22,23)/b17-13-
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n/an/a 4.19E+4n/an/an/an/a6.037



Tianjin Medical University



Assay Description
The enzyme activity was measured using p-nitrophenyl phosphate (pNPP) as substrate in a 96-well plate and by detecting the absorbance at 405 nm for t...


Chem Biol Drug Des 82: 595-602 (2013)


Article DOI: 10.1111/cbdd.12189
BindingDB Entry DOI: 10.7270/Q2K64GQP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM106793
PNG
((5Z)‐5‐{[3‐(2‐ phenylethox...)
Show SMILES O=C1NC(=O)\C(N1)=C\c1cccc(OCCc2ccccc2)c1
Show InChI InChI=1S/C18H16N2O3/c21-17-16(19-18(22)20-17)12-14-7-4-8-15(11-14)23-10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H2,19,20,21,22)/b16-12-
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n/an/a 4.41E+4n/an/an/an/a6.037



Tianjin Medical University



Assay Description
The enzyme activity was measured using p-nitrophenyl phosphate (pNPP) as substrate in a 96-well plate and by detecting the absorbance at 405 nm for t...


Chem Biol Drug Des 82: 595-602 (2013)


Article DOI: 10.1111/cbdd.12189
BindingDB Entry DOI: 10.7270/Q2K64GQP
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50127107
PNG
(CHEMBL3628544)
Show SMILES OC(=O)c1ccc(COc2ccc(\C=C3\N(Cc4ccccc4)C(=O)N(Cc4ccc(cc4)C(O)=O)C3=O)cc2)cc1
Show InChI InChI=1S/C33H26N2O7/c36-30-29(18-22-10-16-28(17-11-22)42-21-25-8-14-27(15-9-25)32(39)40)34(19-23-4-2-1-3-5-23)33(41)35(30)20-24-6-12-26(13-7-24)31(37)38/h1-18H,19-21H2,(H,37,38)(H,39,40)/b29-18+
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n/an/a 8.90E+4n/an/an/an/an/an/a



Tianjin Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry


Eur J Med Chem 103: 91-104 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.037
BindingDB Entry DOI: 10.7270/Q2PK0HZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50127106
PNG
(CHEMBL3627729)
Show SMILES OC(=O)c1ccc(CN2C(=O)N(Cc3ccccc3)\C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1
Show InChI InChI=1S/C32H26N2O5/c35-30-29(19-23-13-17-28(18-14-23)39-22-26-9-5-2-6-10-26)33(20-24-7-3-1-4-8-24)32(38)34(30)21-25-11-15-27(16-12-25)31(36)37/h1-19H,20-22H2,(H,36,37)/b29-19+
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n/an/a 9.60E+4n/an/an/an/an/an/a



Tianjin Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry


Eur J Med Chem 103: 91-104 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.037
BindingDB Entry DOI: 10.7270/Q2PK0HZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50127104
PNG
(CHEMBL3628549)
Show SMILES COC(=O)COC(=O)CN1C(=O)N(Cc2ccccc2)\C(=C\c2ccc(OCC(=O)OC)cc2)C1=O
Show InChI InChI=1S/C25H24N2O9/c1-33-22(29)15-35-19-10-8-17(9-11-19)12-20-24(31)27(14-21(28)36-16-23(30)34-2)25(32)26(20)13-18-6-4-3-5-7-18/h3-12H,13-16H2,1-2H3/b20-12+
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n/an/a 1.01E+5n/an/an/an/an/an/a



Tianjin Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry


Eur J Med Chem 103: 91-104 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.037
BindingDB Entry DOI: 10.7270/Q2PK0HZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50127130
PNG
(CHEMBL3628541)
Show SMILES OC(=O)CN1C(=O)N(Cc2ccccc2)\C(=C\c2ccc(OCc3ccc(cc3)C(O)=O)cc2)C1=O
Show InChI InChI=1S/C27H22N2O7/c30-24(31)16-29-25(32)23(28(27(29)35)15-19-4-2-1-3-5-19)14-18-8-12-22(13-9-18)36-17-20-6-10-21(11-7-20)26(33)34/h1-14H,15-17H2,(H,30,31)(H,33,34)/b23-14+
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n/an/a 1.03E+5n/an/an/an/an/an/a



Tianjin Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry


Eur J Med Chem 103: 91-104 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.037
BindingDB Entry DOI: 10.7270/Q2PK0HZF
More data for this
Ligand-Target Pair
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