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PubMed code 19362837

Compile data set for download or QSAR
Found 10 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))
BDBM50294526
PNG
(CHEMBL551842 | cid_73157 | lobaric acid)
Show SMILES CCCCCc1c2Oc3cc(OC)cc(C(=O)CCCC)c3C(=O)Oc2cc(O)c1C(O)=O
Show InChI InChI=1S/C25H28O8/c1-4-6-8-9-15-21(24(28)29)18(27)13-20-23(15)32-19-12-14(31-3)11-16(17(26)10-7-5-2)22(19)25(30)33-20/h11-13,27H,4-10H2,1-3H3,(H,28,29)
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Article
PubMed
n/an/a 870n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 2801-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.108
BindingDB Entry DOI: 10.7270/Q20P10ZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50294527
PNG
(3-(1-butyl-1,6-dimethoxy-3-oxo-1,3-dihydroisobenzo...)
Show SMILES CCCCCc1c(Oc2cc(OC)cc3c2C(=O)OC3(CCCC)OC)c(O)cc(O)c1C(O)=O
Show InChI InChI=1S/C26H32O9/c1-5-7-9-10-16-21(24(29)30)18(27)14-19(28)23(16)34-20-13-15(32-3)12-17-22(20)25(31)35-26(17,33-4)11-8-6-2/h12-14,27-28H,5-11H2,1-4H3,(H,29,30)
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PubMed
n/an/a 2.48E+3n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 2801-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.108
BindingDB Entry DOI: 10.7270/Q20P10ZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50294530
PNG
(CHEMBL559457 | methyl 8-hydroxy-3-methoxy-11-oxo-1...)
Show SMILES CCCCCc1c2Oc3cc(OC)cc(C(=O)CCCC)c3C(=O)Oc2cc(O)c1C(=O)OC
Show InChI InChI=1S/C26H30O8/c1-5-7-9-10-16-22(25(29)32-4)19(28)14-21-24(16)33-20-13-15(31-3)12-17(18(27)11-8-6-2)23(20)26(30)34-21/h12-14,28H,5-11H2,1-4H3
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PubMed
n/an/a 3.02E+3n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 2801-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.108
BindingDB Entry DOI: 10.7270/Q20P10ZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(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
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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PubMed
n/an/a 3.08E+3n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 2801-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.108
BindingDB Entry DOI: 10.7270/Q20P10ZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50294525
PNG
(3-butyl-7-(2,4-dihydroxy-6-pentylphenoxy)-3,5-dime...)
Show SMILES CCCCCc1cc(O)cc(O)c1Oc1cc(OC)cc2c1C(=O)OC2(CCCC)OC
Show InChI InChI=1S/C25H32O7/c1-5-7-9-10-16-12-17(26)13-20(27)23(16)31-21-15-18(29-3)14-19-22(21)24(28)32-25(19,30-4)11-8-6-2/h12-15,26-27H,5-11H2,1-4H3
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PubMed
n/an/a 6.86E+3n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 2801-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.108
BindingDB Entry DOI: 10.7270/Q20P10ZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50294531
PNG
(CHEMBL562970 | methyl 3,8-dimethoxy-11-oxo-1-penta...)
Show SMILES CCCCCc1c2Oc3cc(OC)cc(C(=O)CCCC)c3C(=O)Oc2cc(OC)c1C(=O)OC
Show InChI InChI=1S/C27H32O8/c1-6-8-10-11-17-23(26(29)33-5)20(32-4)15-22-25(17)34-21-14-16(31-3)13-18(19(28)12-9-7-2)24(21)27(30)35-22/h13-15H,6-12H2,1-5H3
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PubMed
n/an/a 7.42E+3n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 2801-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.108
BindingDB Entry DOI: 10.7270/Q20P10ZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50056919
PNG
(3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 3...)
Show SMILES COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O
Show InChI InChI=1S/C19H18O8/c1-8-5-12(21)11(7-20)17(23)15(8)19(25)27-13-6-9(2)14(18(24)26-4)16(22)10(13)3/h5-7,21-23H,1-4H3
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PubMed
n/an/a 6.35E+4n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 2801-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.108
BindingDB Entry DOI: 10.7270/Q20P10ZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50294528
PNG
(CHEMBL454431 | methyl 2,4-dihydroxy-6-methylbenzoa...)
Show SMILES COC(=O)c1c(C)cc(O)cc1O
Show InChI InChI=1S/C9H10O4/c1-5-3-6(10)4-7(11)8(5)9(12)13-2/h3-4,10-11H,1-2H3
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PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 2801-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.108
BindingDB Entry DOI: 10.7270/Q20P10ZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50241521
PNG
(CHEMBL470649 | methyl 3-formyl-2,4-dihydroxy-6-met...)
Show SMILES COC(=O)c1c(C)cc(O)c(C=O)c1O
Show InChI InChI=1S/C10H10O5/c1-5-3-7(12)6(4-11)9(13)8(5)10(14)15-2/h3-4,12-13H,1-2H3
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PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 2801-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.108
BindingDB Entry DOI: 10.7270/Q20P10ZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50294529
PNG
(1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)ethanone...)
Show SMILES COc1cc(O)c(C(C)=O)c(O)c1C
Show InChI InChI=1S/C10H12O4/c1-5-8(14-3)4-7(12)9(6(2)11)10(5)13/h4,12-13H,1-3H3
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PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 2801-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.108
BindingDB Entry DOI: 10.7270/Q20P10ZF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%