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PubMed code 17517504

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))
BDBM50213492
PNG
(2-[2',4'-dihydroxy-3'-(3-methylbut-2-enyl)phenyl]-...)
Show SMILES CC(C)=CCc1c(O)ccc(-c2cc3ccc(O)cc3o2)c1O
Show InChI InChI=1S/C19H18O4/c1-11(2)3-6-14-16(21)8-7-15(19(14)22)18-9-12-4-5-13(20)10-17(12)23-18/h3-5,7-10,20-22H,6H2,1-2H3
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Article
PubMed
n/an/a 1.36E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 17: 3868-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.005
BindingDB Entry DOI: 10.7270/Q29W0F6F
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50213493
PNG
(2-(2'-methoxy-4'-hydroxyphenyl)-5-(3-methylbut-2-e...)
Show SMILES COc1cc(O)ccc1-c1cc2cc(CC=C(C)C)c(O)cc2o1
Show InChI InChI=1S/C20H20O4/c1-12(2)4-5-13-8-14-9-20(24-18(14)11-17(13)22)16-7-6-15(21)10-19(16)23-3/h4,6-11,21-22H,5H2,1-3H3
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Article
PubMed
n/an/a 1.57E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 17: 3868-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.005
BindingDB Entry DOI: 10.7270/Q29W0F6F
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50213490
PNG
(2-[2'-methoxy-4'-hydroxy-5'-(3-methylbut-2-enyl)ph...)
Show SMILES COc1cc(O)c(CC=C(C)C)cc1-c1cc2ccc(O)cc2o1
Show InChI InChI=1S/C20H20O4/c1-12(2)4-5-13-8-16(19(23-3)11-17(13)22)20-9-14-6-7-15(21)10-18(14)24-20/h4,6-11,21-22H,5H2,1-3H3
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Article
PubMed
n/an/a 1.75E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 17: 3868-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.005
BindingDB Entry DOI: 10.7270/Q29W0F6F
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50213494
PNG
(8-(6-hydroxybenzofuran-2-yl)-2,2-dimethyl-2H-chrom...)
Show SMILES CC1(C)Oc2c(ccc(O)c2C=C1)-c1cc2ccc(O)cc2o1
Show InChI InChI=1S/C19H16O4/c1-19(2)8-7-13-15(21)6-5-14(18(13)23-19)17-9-11-3-4-12(20)10-16(11)22-17/h3-10,20-21H,1-2H3
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Article
PubMed
n/an/a 6.27E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 17: 3868-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.005
BindingDB Entry DOI: 10.7270/Q29W0F6F
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50213491
PNG
(6-(6-hydroxybenzofuran-2-yl)-2,2-dimethyl-2H-chrom...)
Show SMILES CC1(C)Oc2ccc(-c3cc4ccc(O)cc4o3)c(O)c2C=C1
Show InChI InChI=1S/C19H16O4/c1-19(2)8-7-14-15(23-19)6-5-13(18(14)21)17-9-11-3-4-12(20)10-16(11)22-17/h3-10,20-21H,1-2H3
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Article
PubMed
n/an/a 6.49E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 17: 3868-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.005
BindingDB Entry DOI: 10.7270/Q29W0F6F
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50213495
PNG
(3-methoxy-4-(6-methoxybenzofuran-2-yl)phenol | CHE...)
Show SMILES COc1ccc2cc(oc2c1)-c1ccc(O)cc1OC
Show InChI InChI=1S/C16H14O4/c1-18-12-5-3-10-7-16(20-14(10)9-12)13-6-4-11(17)8-15(13)19-2/h3-9,17H,1-2H3
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Article
PubMed
n/an/a 7.41E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 17: 3868-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.005
BindingDB Entry DOI: 10.7270/Q29W0F6F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%