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Compile Data Set for Download or QSAR

Found 32 hits from Advinus Therapeutics Ltd   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50380754
PNG
(CHEMBL2017853)
Show SMILES COc1ccc(cc1)C(Cc1ccc(cc1)-c1cc(on1)C(O)=O)c1nc(no1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H20ClN3O5/c1-34-21-12-8-17(9-13-21)22(26-29-25(31-36-26)19-6-10-20(28)11-7-19)14-16-2-4-18(5-3-16)23-15-24(27(32)33)35-30-23/h2-13,15,22H,14H2,1H3,(H,32,33)
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300n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...


Bioorg Med Chem Lett 22: 2843-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50380753
PNG
(CHEMBL2017852)
Show SMILES COc1ccc(cc1)-c1noc(n1)C(Cc1ccc(cc1)-c1cc(on1)C(O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H20FN3O5/c1-34-21-12-8-19(9-13-21)25-29-26(36-31-25)22(17-6-10-20(28)11-7-17)14-16-2-4-18(5-3-16)23-15-24(27(32)33)35-30-23/h2-13,15,22H,14H2,1H3,(H,32,33)
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400n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...


Bioorg Med Chem Lett 22: 2843-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50380755
PNG
(CHEMBL2017854)
Show SMILES OC(=O)c1csc(n1)-c1ccc(CC(c2nc(no2)-c2cccc(F)c2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H17F2N3O3S/c27-19-10-8-16(9-11-19)21(24-30-23(31-34-24)18-2-1-3-20(28)13-18)12-15-4-6-17(7-5-15)25-29-22(14-35-25)26(32)33/h1-11,13-14,21H,12H2,(H,32,33)
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500n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...


Bioorg Med Chem Lett 22: 2843-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50380756
PNG
(CHEMBL2017855)
Show SMILES COc1ccc(cc1)C(Cc1ccc(cc1)-c1nc(cs1)C(O)=O)c1nc(no1)-c1cccc(F)c1
Show InChI InChI=1S/C27H20FN3O4S/c1-34-21-11-9-17(10-12-21)22(25-30-24(31-35-25)19-3-2-4-20(28)14-19)13-16-5-7-18(8-6-16)26-29-23(15-36-26)27(32)33/h2-12,14-15,22H,13H2,1H3,(H,32,33)
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500n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...


Bioorg Med Chem Lett 22: 2843-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50380751
PNG
(CHEMBL2017850)
Show SMILES OC(=O)c1csc(n1)-c1ccc(CC(C(=O)c2ccc(Cl)cc2)c2ccc(F)c(F)c2)cc1
Show InChI InChI=1S/C25H16ClF2NO3S/c26-18-8-5-15(6-9-18)23(30)19(17-7-10-20(27)21(28)12-17)11-14-1-3-16(4-2-14)24-29-22(13-33-24)25(31)32/h1-10,12-13,19H,11H2,(H,31,32)
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600n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...


Bioorg Med Chem Lett 22: 2843-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50380749
PNG
(CHEMBL2017848)
Show SMILES OC(=O)c1cc(no1)-c1ccc(CC(C(=O)c2ccc(Cl)cc2)c2ccc(F)c(F)c2)cc1
Show InChI InChI=1S/C25H16ClF2NO4/c26-18-8-5-16(6-9-18)24(30)19(17-7-10-20(27)21(28)12-17)11-14-1-3-15(4-2-14)22-13-23(25(31)32)33-29-22/h1-10,12-13,19H,11H2,(H,31,32)
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800n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...


Bioorg Med Chem Lett 22: 2843-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50380738
PNG
(CHEMBL2017836)
Show SMILES OC(=O)c1cc(no1)-c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H19NO4/c27-24(20-9-5-2-6-10-20)21(18-7-3-1-4-8-18)15-17-11-13-19(14-12-17)22-16-23(25(28)29)30-26-22/h1-14,16,21H,15H2,(H,28,29)
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1.10E+3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...


Bioorg Med Chem Lett 22: 2843-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50380741
PNG
(CHEMBL2017840)
Show SMILES OC(=O)c1csc(n1)-c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H19NO3S/c27-23(19-9-5-2-6-10-19)21(18-7-3-1-4-8-18)15-17-11-13-20(14-12-17)24-26-22(16-30-24)25(28)29/h1-14,16,21H,15H2,(H,28,29)
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1.20E+3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...


Bioorg Med Chem Lett 22: 2843-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50380748
PNG
(CHEMBL2017847)
Show SMILES OC(=O)c1cc(no1)-c1ccc(CC(C(=O)c2ccc(F)c(F)c2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H16F3NO4/c26-18-8-5-15(6-9-18)19(24(30)17-7-10-20(27)21(28)12-17)11-14-1-3-16(4-2-14)22-13-23(25(31)32)33-29-22/h1-10,12-13,19H,11H2,(H,31,32)
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1.40E+3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...


Bioorg Med Chem Lett 22: 2843-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50380747
PNG
(CHEMBL2017846)
Show SMILES OC(=O)c1cc(no1)-c1ccc(CC(C(=O)c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H17F2NO4/c26-19-9-5-16(6-10-19)21(24(29)18-7-11-20(27)12-8-18)13-15-1-3-17(4-2-15)22-14-23(25(30)31)32-28-22/h1-12,14,21H,13H2,(H,30,31)
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1.50E+3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...


Bioorg Med Chem Lett 22: 2843-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50380750
PNG
(CHEMBL2017849)
Show SMILES OC(=O)c1csc(n1)-c1ccc(CC(C(=O)c2ccc(F)c(F)c2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H16F3NO3S/c26-18-8-5-15(6-9-18)19(23(30)17-7-10-20(27)21(28)12-17)11-14-1-3-16(4-2-14)24-29-22(13-33-24)25(31)32/h1-10,12-13,19H,11H2,(H,31,32)
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1.80E+3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...


Bioorg Med Chem Lett 22: 2843-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50380746
PNG
(CHEMBL2017845)
Show SMILES OC(=O)c1cc(no1)-c1ccc(CC(C(=O)c2cc(F)cc(F)c2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H16F3NO4/c26-18-7-5-15(6-8-18)21(24(30)17-10-19(27)12-20(28)11-17)9-14-1-3-16(4-2-14)22-13-23(25(31)32)33-29-22/h1-8,10-13,21H,9H2,(H,31,32)
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2.40E+3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...


Bioorg Med Chem Lett 22: 2843-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50380742
PNG
(CHEMBL2017841)
Show SMILES OC(=O)c1ccc([nH]1)-c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C26H21NO3/c28-25(21-9-5-2-6-10-21)22(19-7-3-1-4-8-19)17-18-11-13-20(14-12-18)23-15-16-24(27-23)26(29)30/h1-16,22,27H,17H2,(H,29,30)
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2.90E+3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...


Bioorg Med Chem Lett 22: 2843-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50380752
PNG
(CHEMBL2017851)
Show SMILES OC(=O)c1cc(no1)-c1ccc(CC(c2nc(no2)-c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C26H19N3O4/c30-26(31)23-16-22(28-32-23)19-13-11-17(12-14-19)15-21(18-7-3-1-4-8-18)25-27-24(29-33-25)20-9-5-2-6-10-20/h1-14,16,21H,15H2,(H,30,31)
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4.00E+3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...


Bioorg Med Chem Lett 22: 2843-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50206288
PNG
(CHEMBL3893376)
Show SMILES COc1ccc(CN(Cc2ccc(F)cc2)Cc2ccc(cc2)-n2ncc(C(O)=O)c2N)cc1OC
Show InChI InChI=1S/C27H27FN4O4/c1-35-24-12-7-20(13-25(24)36-2)17-31(15-18-3-8-21(28)9-4-18)16-19-5-10-22(11-6-19)32-26(29)23(14-30-32)27(33)34/h3-14H,15-17,29H2,1-2H3,(H,33,34)
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4.10E+3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B expressed in Escherichia coli expression system using pNPP as substrate preincubated for 30 mins followed by su...


Bioorg Med Chem 25: 67-74 (2017)


Article DOI: 10.1016/j.bmc.2016.10.012
BindingDB Entry DOI: 10.7270/Q23F4RN5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50206290
PNG
(CHEMBL3891801)
Show SMILES COc1ccc(cc1)C(Cc1ccc(cc1)-n1ncc(C(O)=O)c1N)c1nc(no1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H22ClN5O4/c1-36-21-12-6-17(7-13-21)22(26-31-25(32-37-26)18-4-8-19(28)9-5-18)14-16-2-10-20(11-3-16)33-24(29)23(15-30-33)27(34)35/h2-13,15,22H,14,29H2,1H3,(H,34,35)
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4.40E+3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B expressed in Escherichia coli expression system using pNPP as substrate preincubated for 30 mins followed by su...


Bioorg Med Chem 25: 67-74 (2017)


Article DOI: 10.1016/j.bmc.2016.10.012
BindingDB Entry DOI: 10.7270/Q23F4RN5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50206287
PNG
(CHEMBL3943399)
Show SMILES Nc1c(cnn1-c1ccc(CN(Cc2ccc(F)cc2)Cc2ccc(Cl)cc2)cc1)C(O)=O
Show InChI InChI=1S/C25H22ClFN4O2/c26-20-7-1-17(2-8-20)14-30(15-18-3-9-21(27)10-4-18)16-19-5-11-22(12-6-19)31-24(28)23(13-29-31)25(32)33/h1-13H,14-16,28H2,(H,32,33)
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4.50E+3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B expressed in Escherichia coli expression system using pNPP as substrate preincubated for 30 mins followed by su...


Bioorg Med Chem 25: 67-74 (2017)


Article DOI: 10.1016/j.bmc.2016.10.012
BindingDB Entry DOI: 10.7270/Q23F4RN5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50206291
PNG
(CHEMBL3975747)
Show SMILES Nc1c(cnn1-c1ccc(CC(c2nc(no2)-c2ccc(Cl)cc2)c2ccc(F)cc2)cc1)C(O)=O
Show InChI InChI=1S/C26H19ClFN5O3/c27-18-7-3-17(4-8-18)24-31-25(36-32-24)21(16-5-9-19(28)10-6-16)13-15-1-11-20(12-2-15)33-23(29)22(14-30-33)26(34)35/h1-12,14,21H,13,29H2,(H,34,35)
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4.60E+3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B expressed in Escherichia coli expression system using pNPP as substrate preincubated for 30 mins followed by su...


Bioorg Med Chem 25: 67-74 (2017)


Article DOI: 10.1016/j.bmc.2016.10.012
BindingDB Entry DOI: 10.7270/Q23F4RN5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50380744
PNG
(CHEMBL2017843)
Show SMILES OC(=O)C1CCN(C1=O)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C26H23NO4/c28-24(20-9-5-2-6-10-20)23(19-7-3-1-4-8-19)17-18-11-13-21(14-12-18)27-16-15-22(25(27)29)26(30)31/h1-14,22-23H,15-17H2,(H,30,31)
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5.10E+3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...


Bioorg Med Chem Lett 22: 2843-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM13990
PNG
(5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...)
Show SMILES COC(=O)c1c(O)cccc1OC\C=C\c1ccc(F)c(c1)-c1cc(no1)C(O)=O
Show InChI InChI=1S/C21H16FNO7/c1-28-21(27)19-16(24)5-2-6-17(19)29-9-3-4-12-7-8-14(22)13(10-12)18-11-15(20(25)26)23-30-18/h2-8,10-11,24H,9H2,1H3,(H,25,26)/b4-3+
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6.90E+3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...


Bioorg Med Chem Lett 22: 2843-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50206295
PNG
(CHEMBL3961924)
Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)Cc2ccc(cc2)-n2ncc(C(O)=O)c2N)cc1
Show InChI InChI=1S/C27H28N4O4/c1-34-23-11-5-20(6-12-23)17-30(18-21-7-13-24(35-2)14-8-21)16-19-3-9-22(10-4-19)31-26(28)25(15-29-31)27(32)33/h3-15H,16-18,28H2,1-2H3,(H,32,33)
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7.10E+3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B expressed in Escherichia coli expression system using pNPP as substrate preincubated for 30 mins followed by su...


Bioorg Med Chem 25: 67-74 (2017)


Article DOI: 10.1016/j.bmc.2016.10.012
BindingDB Entry DOI: 10.7270/Q23F4RN5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50380743
PNG
(CHEMBL2017842)
Show SMILES OC(=O)C1CN(C(=O)C1)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C26H23NO4/c28-24-16-21(26(30)31)17-27(24)22-13-11-18(12-14-22)15-23(19-7-3-1-4-8-19)25(29)20-9-5-2-6-10-20/h1-14,21,23H,15-17H2,(H,30,31)
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7.70E+3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...


Bioorg Med Chem Lett 22: 2843-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50380740
PNG
(CHEMBL2017839)
Show SMILES OC(=O)c1coc(n1)-c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H19NO4/c27-23(19-9-5-2-6-10-19)21(18-7-3-1-4-8-18)15-17-11-13-20(14-12-17)24-26-22(16-30-24)25(28)29/h1-14,16,21H,15H2,(H,28,29)
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7.80E+3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...


Bioorg Med Chem Lett 22: 2843-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50380737
PNG
(CHEMBL2017838)
Show SMILES Cn1nc(cc1C(O)=O)-c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C26H22N2O3/c1-28-24(26(30)31)17-23(27-28)20-14-12-18(13-15-20)16-22(19-8-4-2-5-9-19)25(29)21-10-6-3-7-11-21/h2-15,17,22H,16H2,1H3,(H,30,31)
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7.80E+3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...


Bioorg Med Chem Lett 22: 2843-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50206292
PNG
(CHEMBL3904964)
Show SMILES COc1ccc(cc1)-c1noc(n1)C(Cc1ccc(cc1)-n1ncc(C(O)=O)c1N)c1ccc(F)cc1
Show InChI InChI=1S/C27H22FN5O4/c1-36-21-12-6-18(7-13-21)25-31-26(37-32-25)22(17-4-8-19(28)9-5-17)14-16-2-10-20(11-3-16)33-24(29)23(15-30-33)27(34)35/h2-13,15,22H,14,29H2,1H3,(H,34,35)
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8.10E+3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B expressed in Escherichia coli expression system using pNPP as substrate preincubated for 30 mins followed by su...


Bioorg Med Chem 25: 67-74 (2017)


Article DOI: 10.1016/j.bmc.2016.10.012
BindingDB Entry DOI: 10.7270/Q23F4RN5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50206294
PNG
(CHEMBL3960817)
Show SMILES COc1ccc(cc1)C(Cc1ccc(cc1)-n1ncc(C(O)=O)c1N)c1nc(no1)-c1cccc(F)c1
Show InChI InChI=1S/C27H22FN5O4/c1-36-21-11-7-17(8-12-21)22(26-31-25(32-37-26)18-3-2-4-19(28)14-18)13-16-5-9-20(10-6-16)33-24(29)23(15-30-33)27(34)35/h2-12,14-15,22H,13,29H2,1H3,(H,34,35)
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8.60E+3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B expressed in Escherichia coli expression system using pNPP as substrate preincubated for 30 mins followed by su...


Bioorg Med Chem 25: 67-74 (2017)


Article DOI: 10.1016/j.bmc.2016.10.012
BindingDB Entry DOI: 10.7270/Q23F4RN5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50206289
PNG
(CHEMBL3927708)
Show SMILES Nc1c(cnn1-c1ccc(CN(Cc2ccc(Cl)cc2)Cc2ccc(F)c(F)c2)cc1)C(O)=O
Show InChI InChI=1S/C25H21ClF2N4O2/c26-19-6-1-16(2-7-19)13-31(15-18-5-10-22(27)23(28)11-18)14-17-3-8-20(9-4-17)32-24(29)21(12-30-32)25(33)34/h1-12H,13-15,29H2,(H,33,34)
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1.10E+4n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B expressed in Escherichia coli expression system using pNPP as substrate preincubated for 30 mins followed by su...


Bioorg Med Chem 25: 67-74 (2017)


Article DOI: 10.1016/j.bmc.2016.10.012
BindingDB Entry DOI: 10.7270/Q23F4RN5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50206293
PNG
(CHEMBL3950714)
Show SMILES Nc1c(cnn1-c1ccc(CN(Cc2ccc(F)cc2)Cc2ccc(F)c(F)c2)cc1)C(O)=O
Show InChI InChI=1S/C25H21F3N4O2/c26-19-6-1-16(2-7-19)13-31(15-18-5-10-22(27)23(28)11-18)14-17-3-8-20(9-4-17)32-24(29)21(12-30-32)25(33)34/h1-12H,13-15,29H2,(H,33,34)
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1.30E+4n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B expressed in Escherichia coli expression system using pNPP as substrate preincubated for 30 mins followed by su...


Bioorg Med Chem 25: 67-74 (2017)


Article DOI: 10.1016/j.bmc.2016.10.012
BindingDB Entry DOI: 10.7270/Q23F4RN5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50380739
PNG
(CHEMBL2017837)
Show SMILES OC(=O)c1cc(n[nH]1)-c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H20N2O3/c28-24(20-9-5-2-6-10-20)21(18-7-3-1-4-8-18)15-17-11-13-19(14-12-17)22-16-23(25(29)30)27-26-22/h1-14,16,21H,15H2,(H,26,27)(H,29,30)
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1.63E+4n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...


Bioorg Med Chem Lett 22: 2843-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50380745
PNG
(CHEMBL2017844)
Show SMILES OC(=O)c1onc(c1C(O)=O)-c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C26H19NO6/c28-23(19-9-5-2-6-10-19)20(17-7-3-1-4-8-17)15-16-11-13-18(14-12-16)22-21(25(29)30)24(26(31)32)33-27-22/h1-14,20H,15H2,(H,29,30)(H,31,32)
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4.00E+4n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...


Bioorg Med Chem Lett 22: 2843-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS
More data for this
Ligand-Target Pair
T-cell protein-tyrosine phosphatase


(Homo sapiens (Human))
BDBM13990
PNG
(5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...)
Show SMILES COC(=O)c1c(O)cccc1OC\C=C\c1ccc(F)c(c1)-c1cc(no1)C(O)=O
Show InChI InChI=1S/C21H16FNO7/c1-28-21(27)19-16(24)5-2-6-17(19)29-9-3-4-12-7-8-14(22)13(10-12)18-11-15(20(25)26)23-30-18/h2-8,10-11,24H,9H2,1H3,(H,25,26)/b4-3+
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1.64E+5n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of TCPTP


Bioorg Med Chem Lett 22: 2843-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50142317
PNG
((2-bromo-4-(3-oxo-2,3-diphenylpropyl)phenyl)difluo...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1Br
Show InChI InChI=1S/C22H18BrF2O4P/c23-20-14-15(11-12-19(20)22(24,25)30(27,28)29)13-18(16-7-3-1-4-8-16)21(26)17-9-5-2-6-10-17/h1-12,14,18H,13H2,(H2,27,28,29)
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n/an/a 120n/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...


Bioorg Med Chem Lett 22: 2843-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)