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PubMed code 26253631

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346601
PNG
(NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Ole...)
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)=O
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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Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) pre-incubated for 10 mins before addition of p-nitrophenyl phosphate substrate and measured 30 mins post substra...


Bioorg Med Chem Lett 25: 3900-2 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.039
BindingDB Entry DOI: 10.7270/Q2KW5HV5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50115386
PNG
(CHEMBL3608572)
Show SMILES CO[C@H]1OC[C@]23CCC[C@]1(C)[C@@H]2CC[C@]1(C)[C@@H]3CC[C@]2(C)Oc3ccccc3C[C@@H]12
Show InChI InChI=1S/C27H38O3/c1-24-14-10-21-25(2)12-7-13-27(21,17-29-23(25)28-4)20(24)11-15-26(3)22(24)16-18-8-5-6-9-19(18)30-26/h5-6,8-9,20-23H,7,10-17H2,1-4H3/t20-,21-,22-,23-,24+,25+,26-,27-/m0/s1
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PubMed
n/an/a 8.50E+3n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) pre-incubated for 10 mins before addition of p-nitrophenyl phosphate substrate and measured 30 mins post substra...


Bioorg Med Chem Lett 25: 3900-2 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.039
BindingDB Entry DOI: 10.7270/Q2KW5HV5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50115392
PNG
(CHEMBL3608571)
Show SMILES CCO[C@H]1OC[C@]23CCC[C@]1(C)[C@@H]2CC[C@@]1(C)[C@H](Cc2cc(O)ccc2O)[C@@](C)(O)CC[C@H]31
Show InChI InChI=1S/C28H42O5/c1-5-32-24-26(3)11-6-12-28(17-33-24)21-10-14-27(4,31)23(25(21,2)13-9-22(26)28)16-18-15-19(29)7-8-20(18)30/h7-8,15,21-24,29-31H,5-6,9-14,16-17H2,1-4H3/t21-,22-,23-,24-,25+,26+,27-,28-/m0/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) pre-incubated for 10 mins before addition of p-nitrophenyl phosphate substrate and measured 30 mins post substra...


Bioorg Med Chem Lett 25: 3900-2 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.039
BindingDB Entry DOI: 10.7270/Q2KW5HV5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50115388
PNG
(Strongylophorin-3 | strongylophorine-3)
Show SMILES C[C@]12CC[C@@H]3[C@@]4(C)CCC[C@@](C)([C@@H]4CC[C@@]3(C)[C@@H]1Cc1cc(O)ccc1O2)C(O)=O
Show InChI InChI=1S/C26H36O4/c1-23-10-5-11-25(3,22(28)29)20(23)8-12-24(2)19(23)9-13-26(4)21(24)15-16-14-17(27)6-7-18(16)30-26/h6-7,14,19-21,27H,5,8-13,15H2,1-4H3,(H,28,29)/t19-,20-,21+,23-,24-,25+,26+/m1/s1
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Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) pre-incubated for 10 mins before addition of p-nitrophenyl phosphate substrate and measured 30 mins post substra...


Bioorg Med Chem Lett 25: 3900-2 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.039
BindingDB Entry DOI: 10.7270/Q2KW5HV5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50115390
PNG
(CHEMBL3608573)
Show SMILES C[C@]12CC[C@H]3[C@@](C)(CC[C@H]4[C@@]5(C)CCC[C@]34CO[C@@H]5O)[C@@H]1Cc1cc(O)ccc1O2
Show InChI InChI=1S/C26H36O4/c1-23-11-7-20-24(2)9-4-10-26(20,15-29-22(24)28)19(23)8-12-25(3)21(23)14-16-13-17(27)5-6-18(16)30-25/h5-6,13,19-22,27-28H,4,7-12,14-15H2,1-3H3/t19-,20-,21-,22-,23+,24+,25-,26-/m0/s1
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n/an/a 1.19E+4n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) pre-incubated for 10 mins before addition of p-nitrophenyl phosphate substrate and measured 30 mins post substra...


Bioorg Med Chem Lett 25: 3900-2 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.039
BindingDB Entry DOI: 10.7270/Q2KW5HV5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50115391
PNG
(CHEMBL3608574)
Show SMILES C[C@]1(CO)CCC[C@@]2(CO)[C@H]1CC[C@]1(C)[C@@H]2CC[C@]2(C)Oc3ccc(O)cc3C[C@@H]12
Show InChI InChI=1S/C26H38O4/c1-23(15-27)9-4-10-26(16-28)20(23)7-11-24(2)21(26)8-12-25(3)22(24)14-17-13-18(29)5-6-19(17)30-25/h5-6,13,20-22,27-29H,4,7-12,14-16H2,1-3H3/t20-,21-,22-,23+,24+,25-,26+/m0/s1
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n/an/a 1.48E+4n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) pre-incubated for 10 mins before addition of p-nitrophenyl phosphate substrate and measured 30 mins post substra...


Bioorg Med Chem Lett 25: 3900-2 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.039
BindingDB Entry DOI: 10.7270/Q2KW5HV5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50115389
PNG
(strongylophorine-8)
Show SMILES C[C@]1(O)CC[C@H]2[C@@](C)(CC[C@H]3[C@]4(C)CCC[C@]23COC4=O)[C@@H]1Cc1cc(O)ccc1O
Show InChI InChI=1S/C26H36O5/c1-23-11-7-20-24(2)9-4-10-26(20,15-31-22(24)29)19(23)8-12-25(3,30)21(23)14-16-13-17(27)5-6-18(16)28/h5-6,13,19-21,27-28,30H,4,7-12,14-15H2,1-3H3/t19-,20-,21-,23+,24-,25-,26-/m0/s1
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n/an/a 2.12E+4n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) pre-incubated for 10 mins before addition of p-nitrophenyl phosphate substrate and measured 30 mins post substra...


Bioorg Med Chem Lett 25: 3900-2 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.039
BindingDB Entry DOI: 10.7270/Q2KW5HV5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50115387
PNG
(strongylophorine-2)
Show SMILES C[C@]12CC[C@H]3[C@@](C)(CC[C@H]4[C@@]5(C)CCC[C@]34COC5=O)[C@@H]1Cc1cc(O)ccc1O2
Show InChI InChI=1S/C26H34O4/c1-23-11-7-20-24(2)9-4-10-26(20,15-29-22(24)28)19(23)8-12-25(3)21(23)14-16-13-17(27)5-6-18(16)30-25/h5-6,13,19-21,27H,4,7-12,14-15H2,1-3H3/t19-,20-,21-,23+,24+,25-,26-/m0/s1
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n/an/a>2.44E+4n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) pre-incubated for 10 mins before addition of p-nitrophenyl phosphate substrate and measured 30 mins post substra...


Bioorg Med Chem Lett 25: 3900-2 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.039
BindingDB Entry DOI: 10.7270/Q2KW5HV5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%