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PubMed code 18053716

Compile data set for download or QSAR
Found 6 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))
BDBM50374277
PNG
(CHEMBL403094)
Show SMILES Oc1ccc-2c(c1)[C@@H]1Oc3ccccc3[C@@]3(O)CC(=O)c4c(O)cc(O)c-2c4[C@@H]13
Show InChI InChI=1S/C23H16O6/c24-10-5-6-11-12(7-10)22-21-20-18(11)14(25)8-15(26)19(20)16(27)9-23(21,28)13-3-1-2-4-17(13)29-22/h1-8,21-22,24-26,28H,9H2/t21-,22-,23-/m0/s1
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Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B by Lineweaver-Burke plot


Bioorg Med Chem Lett 18: 772-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.036
BindingDB Entry DOI: 10.7270/Q25B03BB
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50374277
PNG
(CHEMBL403094)
Show SMILES Oc1ccc-2c(c1)[C@@H]1Oc3ccccc3[C@@]3(O)CC(=O)c4c(O)cc(O)c-2c4[C@@H]13
Show InChI InChI=1S/C23H16O6/c24-10-5-6-11-12(7-10)22-21-20-18(11)14(25)8-15(26)19(20)16(27)9-23(21,28)13-3-1-2-4-17(13)29-22/h1-8,21-22,24-26,28H,9H2/t21-,22-,23-/m0/s1
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Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 18: 772-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.036
BindingDB Entry DOI: 10.7270/Q25B03BB
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50374279
PNG
(OHIOENSIN A)
Show SMILES Oc1ccc-2c(c1)[C@@H]1Oc3ccccc3[C@H]3CC(=O)c4c(O)cc(O)c-2c4[C@@H]13
Show InChI InChI=1S/C23H16O5/c24-10-5-6-12-14(7-10)23-20-13(11-3-1-2-4-18(11)28-23)8-15(25)21-17(27)9-16(26)19(12)22(20)21/h1-7,9,13,20,23-24,26-27H,8H2/t13-,20+,23+/m1/s1
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PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 18: 772-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.036
BindingDB Entry DOI: 10.7270/Q25B03BB
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50104694
PNG
((R)-4-hydroxy-5-(hydroxymethyl)-3-palmitoylfuran-2...)
Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CO)c1O
Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h22,24-25H,2-16H2,1H3
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PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 18: 772-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.036
BindingDB Entry DOI: 10.7270/Q25B03BB
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50374280
PNG
(CHEMBL403411)
Show SMILES O[C@@H]1[C@H]2[C@@H]3[C@@H](Oc4ccccc24)c2cccc(O)c2-c2c(O)cc(O)c(C1=O)c32
Show InChI InChI=1S/C23H16O6/c24-11-6-3-5-10-15(11)17-12(25)8-13(26)18-19(17)20-16(21(27)22(18)28)9-4-1-2-7-14(9)29-23(10)20/h1-8,16,20-21,23-27H/t16-,20+,21-,23+/m1/s1
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PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 18: 772-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.036
BindingDB Entry DOI: 10.7270/Q25B03BB
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50374278
PNG
(CHEMBL465069)
Show SMILES COc1cc(O)c2C(=O)C[C@H]3[C@@H]4[C@@H](Oc5ccccc35)c3cccc(O)c3-c1c24
Show InChI InChI=1S/C24H18O5/c1-28-18-10-16(27)21-15(26)9-13-11-5-2-3-8-17(11)29-24-12-6-4-7-14(25)19(12)22(18)23(21)20(13)24/h2-8,10,13,20,24-25,27H,9H2,1H3/t13-,20+,24+/m1/s1
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Article
PubMed
n/an/a 7.60E+3n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 18: 772-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.036
BindingDB Entry DOI: 10.7270/Q25B03BB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%