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PubMed code 19811915

Compile data set for download or QSAR
Found 11 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))
BDBM50311432
PNG
(9-Ethoxymethyl-4-ethyl-9-morpholin-4-ylmethyl-8, 9...)
Show SMILES CCOCC1(CN2CCOCC2)COc2ccc3c(C)cc(=O)oc3c2C1=O
Show InChI InChI=1S/C21H25NO6/c1-3-25-12-21(11-22-6-8-26-9-7-22)13-27-16-5-4-15-14(2)10-17(23)28-19(15)18(16)20(21)24/h4-5,10H,3,6-9,11-13H2,1-2H3
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PubMed
n/an/a 2.45E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 6447-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.031
BindingDB Entry DOI: 10.7270/Q2930T8Z
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50311433
PNG
(9-Ethoxymethyl-4-methyl-9-piperdinyl-methyl-8, 9-d...)
Show SMILES CCOCC1(CN2CCCCC2)COc2ccc3c(C)cc(=O)oc3c2C1=O
Show InChI InChI=1S/C22H27NO5/c1-3-26-13-22(12-23-9-5-4-6-10-23)14-27-17-8-7-16-15(2)11-18(24)28-20(16)19(17)21(22)25/h7-8,11H,3-6,9-10,12-14H2,1-2H3
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PubMed
n/an/a 3.62E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 6447-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.031
BindingDB Entry DOI: 10.7270/Q2930T8Z
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50311434
PNG
(9-Ethoxymethyl-4-methyl-9-di-n-butylaminomethyl-8,...)
Show SMILES CCCCN(CCCC)CC1(COCC)COc2ccc3c(C)cc(=O)oc3c2C1=O
Show InChI InChI=1S/C25H35NO5/c1-5-8-12-26(13-9-6-2)15-25(16-29-7-3)17-30-20-11-10-19-18(4)14-21(27)31-23(19)22(20)24(25)28/h10-11,14H,5-9,12-13,15-17H2,1-4H3
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PubMed
n/an/a 4.05E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 6447-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.031
BindingDB Entry DOI: 10.7270/Q2930T8Z
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50311429
PNG
(9-Hydroxymethyl-4-methyl-9-morpholin-4-ylmethyl-8,...)
Show SMILES Cc1cc(=O)oc2c3C(=O)C(CO)(CN4CCOCC4)COc3ccc12
Show InChI InChI=1S/C19H21NO6/c1-12-8-15(22)26-17-13(12)2-3-14-16(17)18(23)19(10-21,11-25-14)9-20-4-6-24-7-5-20/h2-3,8,21H,4-7,9-11H2,1H3
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PubMed
n/an/a 5.24E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 6447-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.031
BindingDB Entry DOI: 10.7270/Q2930T8Z
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50311431
PNG
(9-Hydroxymethyl-4-methyl-9-pyrolidin-4-ylmethyl-8,...)
Show SMILES Cc1cc(=O)oc2c3C(=O)C(CO)(CN4CCCC4)COc3ccc12
Show InChI InChI=1S/C19H21NO5/c1-12-8-15(22)25-17-13(12)4-5-14-16(17)18(23)19(10-21,11-24-14)9-20-6-2-3-7-20/h4-5,8,21H,2-3,6-7,9-11H2,1H3
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PubMed
n/an/a 5.67E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 6447-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.031
BindingDB Entry DOI: 10.7270/Q2930T8Z
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50311430
PNG
(9-Hydroxymethyl-4-methyl-9-piperidin-4-ylmethyl-8,...)
Show SMILES Cc1cc(=O)oc2c3C(=O)C(CO)(CN4CCCCC4)COc3ccc12
Show InChI InChI=1S/C20H23NO5/c1-13-9-16(23)26-18-14(13)5-6-15-17(18)19(24)20(11-22,12-25-15)10-21-7-3-2-4-8-21/h5-6,9,22H,2-4,7-8,10-12H2,1H3
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PubMed
n/an/a 6.21E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 6447-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.031
BindingDB Entry DOI: 10.7270/Q2930T8Z
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50311435
PNG
(9-Ethoxymethyl-4-methyl-9-(4-methyl-piperazin-1-yl...)
Show SMILES CCOCC1(CN2CCN(C)CC2)COc2ccc3c(C)cc(=O)oc3c2C1=O
Show InChI InChI=1S/C22H28N2O5/c1-4-27-13-22(12-24-9-7-23(3)8-10-24)14-28-17-6-5-16-15(2)11-18(25)29-20(16)19(17)21(22)26/h5-6,11H,4,7-10,12-14H2,1-3H3
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PubMed
n/an/a 6.55E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 6447-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.031
BindingDB Entry DOI: 10.7270/Q2930T8Z
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50311436
PNG
(9-Ethoxymethyl-4-methyl-9-(4-phenyl-piperazin-1-yl...)
Show SMILES CCOCC1(CN2CCN(CC2)c2ccccc2)COc2ccc3c(C)cc(=O)oc3c2C1=O
Show InChI InChI=1S/C27H30N2O5/c1-3-32-17-27(16-28-11-13-29(14-12-28)20-7-5-4-6-8-20)18-33-22-10-9-21-19(2)15-23(30)34-25(21)24(22)26(27)31/h4-10,15H,3,11-14,16-18H2,1-2H3
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PubMed
n/an/a 7.06E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 6447-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.031
BindingDB Entry DOI: 10.7270/Q2930T8Z
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50311437
PNG
(9-Ethoxymethyl-4-methyl-9-(4-pyridin-2yl-piperazin...)
Show SMILES CCOCC1(CN2CCN(CC2)c2ccccn2)COc2ccc3c(C)cc(=O)oc3c2C1=O
Show InChI InChI=1S/C26H29N3O5/c1-3-32-16-26(15-28-10-12-29(13-11-28)21-6-4-5-9-27-21)17-33-20-8-7-19-18(2)14-22(30)34-24(19)23(20)25(26)31/h4-9,14H,3,10-13,15-17H2,1-2H3
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PubMed
n/an/a 7.62E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 6447-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.031
BindingDB Entry DOI: 10.7270/Q2930T8Z
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50311427
PNG
(9-Ethoxymethyl-4-methyl-9-pyrolidinylmethyl-8, 9-d...)
Show SMILES CCOCC1(CN2CCCC2)COc2ccc3c(C)cc(=O)oc3c2C1=O
Show InChI InChI=1S/C21H25NO5/c1-3-25-12-21(11-22-8-4-5-9-22)13-26-16-7-6-15-14(2)10-17(23)27-19(15)18(16)20(21)24/h6-7,10H,3-5,8-9,11-13H2,1-2H3
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PubMed
n/an/a 8.27E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 6447-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.031
BindingDB Entry DOI: 10.7270/Q2930T8Z
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50311428
PNG
(9-Ethoxymethyl-4-methyl-9-morpholin-4-ylmethyl-8, ...)
Show SMILES CCOCC1(CN(CC)CC)COc2ccc3c(C)cc(=O)oc3c2C1=O
Show InChI InChI=1S/C21H27NO5/c1-5-22(6-2)11-21(12-25-7-3)13-26-16-9-8-15-14(4)10-17(23)27-19(15)18(16)20(21)24/h8-10H,5-7,11-13H2,1-4H3
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PubMed
n/an/a 9.04E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 6447-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.031
BindingDB Entry DOI: 10.7270/Q2930T8Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%