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PubMed code 19500993

Compile data set for download or QSAR
Found 42 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))
BDBM50346150
PNG
(5-(2-(2-(1H-pyrrol-1-yl)ethoxy)-4-methoxyphenyl)-3...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCCN2CCCC2)c1
Show InChI InChI=1S/C22H24N2O3/c1-25-18-9-10-19(21(15-18)26-14-13-24-11-5-6-12-24)22-16-20(23-27-22)17-7-3-2-4-8-17/h2-4,7-10,15-16H,5-6,11-14H2,1H3
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PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in absence of Triton X-100 by modified Goldstein me...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346150
PNG
(5-(2-(2-(1H-pyrrol-1-yl)ethoxy)-4-methoxyphenyl)-3...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCCN2CCCC2)c1
Show InChI InChI=1S/C22H24N2O3/c1-25-18-9-10-19(21(15-18)26-14-13-24-11-5-6-12-24)22-16-20(23-27-22)17-7-3-2-4-8-17/h2-4,7-10,15-16H,5-6,11-14H2,1H3
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PubMed
n/an/a 1.51E+3n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in presence of 0.01% Triton X-100 by modified Golds...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346151
PNG
(4-(2-(5-methoxy-2-(3-phenylisoxazol-5-yl)phenoxy)e...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCCN2CCOCC2)c1
Show InChI InChI=1S/C22H24N2O4/c1-25-18-7-8-19(21(15-18)27-14-11-24-9-12-26-13-10-24)22-16-20(23-28-22)17-5-3-2-4-6-17/h2-8,15-16H,9-14H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in absence of Triton X-100 by modified Goldstein me...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346151
PNG
(4-(2-(5-methoxy-2-(3-phenylisoxazol-5-yl)phenoxy)e...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCCN2CCOCC2)c1
Show InChI InChI=1S/C22H24N2O4/c1-25-18-7-8-19(21(15-18)27-14-11-24-9-12-26-13-10-24)22-16-20(23-28-22)17-5-3-2-4-6-17/h2-8,15-16H,9-14H2,1H3
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PubMed
n/an/a 2.61E+3n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in presence of 0.01% Triton X-100 by modified Golds...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346148
PNG
(CHEMBL1783773 | N,N-diethyl-2-(5-methoxy-2-(3-phen...)
Show SMILES CCN(CC)CCOc1cc(OC)ccc1-c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C22H26N2O3/c1-4-24(5-2)13-14-26-21-15-18(25-3)11-12-19(21)22-16-20(23-27-22)17-9-7-6-8-10-17/h6-12,15-16H,4-5,13-14H2,1-3H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in presence of 0.01% Triton X-100 by modified Golds...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346148
PNG
(CHEMBL1783773 | N,N-diethyl-2-(5-methoxy-2-(3-phen...)
Show SMILES CCN(CC)CCOc1cc(OC)ccc1-c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C22H26N2O3/c1-4-24(5-2)13-14-26-21-15-18(25-3)11-12-19(21)22-16-20(23-27-22)17-9-7-6-8-10-17/h6-12,15-16H,4-5,13-14H2,1-3H3
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n/an/a 2.97E+3n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in absence of Triton X-100 by modified Goldstein me...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346166
PNG
(1-(5-methoxy-2-(3-phenylisoxazol-5-yl)phenoxy)-3-(...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCC(O)CN2CCCCC2)c1
Show InChI InChI=1S/C24H28N2O4/c1-28-20-10-11-21(24-15-22(25-30-24)18-8-4-2-5-9-18)23(14-20)29-17-19(27)16-26-12-6-3-7-13-26/h2,4-5,8-11,14-15,19,27H,3,6-7,12-13,16-17H2,1H3
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n/an/a 3.31E+3n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in presence of 0.01% Triton X-100 by modified Golds...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346165
PNG
(1-(5-methoxy-2-(3-phenylisoxazol-5-yl)phenoxy)-3-(...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCC(O)CN2CCCC2)c1
Show InChI InChI=1S/C23H26N2O4/c1-27-19-9-10-20(23-14-21(24-29-23)17-7-3-2-4-8-17)22(13-19)28-16-18(26)15-25-11-5-6-12-25/h2-4,7-10,13-14,18,26H,5-6,11-12,15-16H2,1H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in absence of Triton X-100 by modified Goldstein me...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346158
PNG
(5-(2-(3-(1H-pyrrol-1-yl)propoxy)-4-methoxyphenyl)-...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCCCN2CCCC2)c1
Show InChI InChI=1S/C23H26N2O3/c1-26-19-10-11-20(22(16-19)27-15-7-14-25-12-5-6-13-25)23-17-21(24-28-23)18-8-3-2-4-9-18/h2-4,8-11,16-17H,5-7,12-15H2,1H3
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n/an/a 3.46E+3n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in presence of 0.01% Triton X-100 by modified Golds...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346158
PNG
(5-(2-(3-(1H-pyrrol-1-yl)propoxy)-4-methoxyphenyl)-...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCCCN2CCCC2)c1
Show InChI InChI=1S/C23H26N2O3/c1-26-19-10-11-20(22(16-19)27-15-7-14-25-12-5-6-13-25)23-17-21(24-28-23)18-8-3-2-4-9-18/h2-4,8-11,16-17H,5-7,12-15H2,1H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in absence of Triton X-100 by modified Goldstein me...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346165
PNG
(1-(5-methoxy-2-(3-phenylisoxazol-5-yl)phenoxy)-3-(...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCC(O)CN2CCCC2)c1
Show InChI InChI=1S/C23H26N2O4/c1-27-19-9-10-20(23-14-21(24-29-23)17-7-3-2-4-8-17)22(13-19)28-16-18(26)15-25-11-5-6-12-25/h2-4,7-10,13-14,18,26H,5-6,11-12,15-16H2,1H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in presence of 0.01% Triton X-100 by modified Golds...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346163
PNG
(1-(diethylamino)-3-(5-methoxy-2-(3-phenylisoxazol-...)
Show SMILES CCN(CC)CC(O)COc1cc(OC)ccc1-c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C23H28N2O4/c1-4-25(5-2)15-18(26)16-28-22-13-19(27-3)11-12-20(22)23-14-21(24-29-23)17-9-7-6-8-10-17/h6-14,18,26H,4-5,15-16H2,1-3H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in absence of Triton X-100 by modified Goldstein me...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346157
PNG
(5-(4-methoxy-2-(3-(piperidin-1-yl)propoxy)phenyl)-...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCCCN2CCCCC2)c1
Show InChI InChI=1S/C24H28N2O3/c1-27-20-11-12-21(24-18-22(25-29-24)19-9-4-2-5-10-19)23(17-20)28-16-8-15-26-13-6-3-7-14-26/h2,4-5,9-12,17-18H,3,6-8,13-16H2,1H3
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n/an/a 4.40E+3n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in absence of Triton X-100 by modified Goldstein me...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346157
PNG
(5-(4-methoxy-2-(3-(piperidin-1-yl)propoxy)phenyl)-...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCCCN2CCCCC2)c1
Show InChI InChI=1S/C24H28N2O3/c1-27-20-11-12-21(24-18-22(25-29-24)19-9-4-2-5-10-19)23(17-20)28-16-8-15-26-13-6-3-7-14-26/h2,4-5,9-12,17-18H,3,6-8,13-16H2,1H3
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n/an/a 4.42E+3n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in presence of 0.01% Triton X-100 by modified Golds...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346159
PNG
(CHEMBL1783784 | ethyl 2-(5-methoxy-2-(3-phenylisox...)
Show SMILES CCOC(=O)COc1cc(OC)ccc1-c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C20H19NO5/c1-3-24-20(22)13-25-18-11-15(23-2)9-10-16(18)19-12-17(21-26-19)14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3
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n/an/a 5.25E+3n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in absence of Triton X-100 by modified Goldstein me...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346159
PNG
(CHEMBL1783784 | ethyl 2-(5-methoxy-2-(3-phenylisox...)
Show SMILES CCOC(=O)COc1cc(OC)ccc1-c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C20H19NO5/c1-3-24-20(22)13-25-18-11-15(23-2)9-10-16(18)19-12-17(21-26-19)14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3
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n/an/a 5.35E+3n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in presence of 0.01% Triton X-100 by modified Golds...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346149
PNG
(CHEMBL1783774 | N-isopropyl-N-(2-(5-methoxy-2-(3-p...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCCN(C(C)C)C(C)C)c1
Show InChI InChI=1S/C24H30N2O3/c1-17(2)26(18(3)4)13-14-28-23-15-20(27-5)11-12-21(23)24-16-22(25-29-24)19-9-7-6-8-10-19/h6-12,15-18H,13-14H2,1-5H3
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n/an/a 5.44E+3n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in presence of 0.01% Triton X-100 by modified Golds...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346149
PNG
(CHEMBL1783774 | N-isopropyl-N-(2-(5-methoxy-2-(3-p...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCCN(C(C)C)C(C)C)c1
Show InChI InChI=1S/C24H30N2O3/c1-17(2)26(18(3)4)13-14-28-23-15-20(27-5)11-12-21(23)24-16-22(25-29-24)19-9-7-6-8-10-19/h6-12,15-18H,13-14H2,1-5H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in absence of Triton X-100 by modified Goldstein me...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346166
PNG
(1-(5-methoxy-2-(3-phenylisoxazol-5-yl)phenoxy)-3-(...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCC(O)CN2CCCCC2)c1
Show InChI InChI=1S/C24H28N2O4/c1-28-20-10-11-21(24-15-22(25-30-24)18-8-4-2-5-9-18)23(14-20)29-17-19(27)16-26-12-6-3-7-13-26/h2,4-5,8-11,14-15,19,27H,3,6-7,12-13,16-17H2,1H3
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n/an/a 6.80E+3n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in absence of Triton X-100 by modified Goldstein me...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346163
PNG
(1-(diethylamino)-3-(5-methoxy-2-(3-phenylisoxazol-...)
Show SMILES CCN(CC)CC(O)COc1cc(OC)ccc1-c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C23H28N2O4/c1-4-25(5-2)15-18(26)16-28-22-13-19(27-3)11-12-20(22)23-14-21(24-29-23)17-9-7-6-8-10-17/h6-14,18,26H,4-5,15-16H2,1-3H3
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n/an/a 6.89E+3n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in presence of 0.01% Triton X-100 by modified Golds...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346153
PNG
(5-(4-methoxy-2-(2-(piperidin-1-yl)ethoxy)phenyl)-3...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCCN2CCCCC2)c1
Show InChI InChI=1S/C23H26N2O3/c1-26-19-10-11-20(22(16-19)27-15-14-25-12-6-3-7-13-25)23-17-21(24-28-23)18-8-4-2-5-9-18/h2,4-5,8-11,16-17H,3,6-7,12-15H2,1H3
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n/an/a 8.80E+3n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in absence of Triton X-100 by modified Goldstein me...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346153
PNG
(5-(4-methoxy-2-(2-(piperidin-1-yl)ethoxy)phenyl)-3...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCCN2CCCCC2)c1
Show InChI InChI=1S/C23H26N2O3/c1-26-19-10-11-20(22(16-19)27-15-14-25-12-6-3-7-13-25)23-17-21(24-28-23)18-8-4-2-5-9-18/h2,4-5,8-11,16-17H,3,6-7,12-15H2,1H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in presence of 0.01% Triton X-100 by modified Golds...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346160
PNG
(2-(5-methoxy-2-(3-phenylisoxazol-5-yl)phenoxy)acet...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCC(O)=O)c1
Show InChI InChI=1S/C18H15NO5/c1-22-13-7-8-14(16(9-13)23-11-18(20)21)17-10-15(19-24-17)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,20,21)
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n/an/a 9.10E+3n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in absence of Triton X-100 by modified Goldstein me...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346160
PNG
(2-(5-methoxy-2-(3-phenylisoxazol-5-yl)phenoxy)acet...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCC(O)=O)c1
Show InChI InChI=1S/C18H15NO5/c1-22-13-7-8-14(16(9-13)23-11-18(20)21)17-10-15(19-24-17)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,20,21)
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n/an/a 9.30E+3n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in presence of 0.01% Triton X-100 by modified Golds...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346162
PNG
(4-(5-methoxy-2-(3-phenylisoxazol-5-yl)phenoxy)buta...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCCCC(O)=O)c1
Show InChI InChI=1S/C20H19NO5/c1-24-15-9-10-16(18(12-15)25-11-5-8-20(22)23)19-13-17(21-26-19)14-6-3-2-4-7-14/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H,22,23)
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n/an/a 2.23E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in absence of Triton X-100 by modified Goldstein me...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346162
PNG
(4-(5-methoxy-2-(3-phenylisoxazol-5-yl)phenoxy)buta...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCCCC(O)=O)c1
Show InChI InChI=1S/C20H19NO5/c1-24-15-9-10-16(18(12-15)25-11-5-8-20(22)23)19-13-17(21-26-19)14-6-3-2-4-7-14/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H,22,23)
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n/an/a 2.24E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in presence of 0.01% Triton X-100 by modified Golds...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346147
PNG
(2-(5-methoxy-2-(3-phenylisoxazol-5-yl)phenoxy)-N,N...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCCN(C)C)c1
Show InChI InChI=1S/C20H22N2O3/c1-22(2)11-12-24-19-13-16(23-3)9-10-17(19)20-14-18(21-25-20)15-7-5-4-6-8-15/h4-10,13-14H,11-12H2,1-3H3
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n/an/a 2.42E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in absence of Triton X-100 by modified Goldstein me...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346147
PNG
(2-(5-methoxy-2-(3-phenylisoxazol-5-yl)phenoxy)-N,N...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCCN(C)C)c1
Show InChI InChI=1S/C20H22N2O3/c1-22(2)11-12-24-19-13-16(23-3)9-10-17(19)20-14-18(21-25-20)15-7-5-4-6-8-15/h4-10,13-14H,11-12H2,1-3H3
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n/an/a 2.43E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in presence of 0.01% Triton X-100 by modified Golds...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346154
PNG
(3-(5-methoxy-2-(3-phenylisoxazol-5-yl)phenoxy)-N,N...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCCCN(C)C)c1
Show InChI InChI=1S/C21H24N2O3/c1-23(2)12-7-13-25-20-14-17(24-3)10-11-18(20)21-15-19(22-26-21)16-8-5-4-6-9-16/h4-6,8-11,14-15H,7,12-13H2,1-3H3
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n/an/a 2.53E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in absence of Triton X-100 by modified Goldstein me...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346154
PNG
(3-(5-methoxy-2-(3-phenylisoxazol-5-yl)phenoxy)-N,N...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCCCN(C)C)c1
Show InChI InChI=1S/C21H24N2O3/c1-23(2)12-7-13-25-20-14-17(24-3)10-11-18(20)21-15-19(22-26-21)16-8-5-4-6-9-16/h4-6,8-11,14-15H,7,12-13H2,1-3H3
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n/an/a 2.53E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in presence of 0.01% Triton X-100 by modified Golds...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346161
PNG
(CHEMBL1783785 | ethyl 4-(5-methoxy-2-(3-phenylisox...)
Show SMILES CCOC(=O)CCCOc1cc(OC)ccc1-c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C22H23NO5/c1-3-26-22(24)10-7-13-27-20-14-17(25-2)11-12-18(20)21-15-19(23-28-21)16-8-5-4-6-9-16/h4-6,8-9,11-12,14-15H,3,7,10,13H2,1-2H3
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n/an/a 2.67E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in presence of 0.01% Triton X-100 by modified Golds...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346161
PNG
(CHEMBL1783785 | ethyl 4-(5-methoxy-2-(3-phenylisox...)
Show SMILES CCOC(=O)CCCOc1cc(OC)ccc1-c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C22H23NO5/c1-3-26-22(24)10-7-13-27-20-14-17(25-2)11-12-18(20)21-15-19(23-28-21)16-8-5-4-6-9-16/h4-6,8-9,11-12,14-15H,3,7,10,13H2,1-2H3
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n/an/a 2.67E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in absence of Triton X-100 by modified Goldstein me...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346167
PNG
(5-methoxy-2-(3-phenylisoxazol-5-yl)phenol | CHEMBL...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(O)c1
Show InChI InChI=1S/C16H13NO3/c1-19-12-7-8-13(15(18)9-12)16-10-14(17-20-16)11-5-3-2-4-6-11/h2-10,18H,1H3
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n/an/a 2.75E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in absence of Triton X-100 by modified Goldstein me...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346167
PNG
(5-methoxy-2-(3-phenylisoxazol-5-yl)phenol | CHEMBL...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(O)c1
Show InChI InChI=1S/C16H13NO3/c1-19-12-7-8-13(15(18)9-12)16-10-14(17-20-16)11-5-3-2-4-6-11/h2-10,18H,1H3
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n/an/a 2.76E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in presence of 0.01% Triton X-100 by modified Golds...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346155
PNG
(CHEMBL1783780 | N,N-diethyl-3-(5-methoxy-2-(3-phen...)
Show SMILES CCN(CC)CCCOc1cc(OC)ccc1-c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C23H28N2O3/c1-4-25(5-2)14-9-15-27-22-16-19(26-3)12-13-20(22)23-17-21(24-28-23)18-10-7-6-8-11-18/h6-8,10-13,16-17H,4-5,9,14-15H2,1-3H3
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n/an/a 2.80E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in absence of Triton X-100 by modified Goldstein me...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346155
PNG
(CHEMBL1783780 | N,N-diethyl-3-(5-methoxy-2-(3-phen...)
Show SMILES CCN(CC)CCCOc1cc(OC)ccc1-c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C23H28N2O3/c1-4-25(5-2)14-9-15-27-22-16-19(26-3)12-13-20(22)23-17-21(24-28-23)18-10-7-6-8-11-18/h6-8,10-13,16-17H,4-5,9,14-15H2,1-3H3
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n/an/a 2.82E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in presence of 0.01% Triton X-100 by modified Golds...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346164
PNG
(5-(4-methoxy-2-(oxiran-2-ylmethoxy)phenyl)-3-pheny...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCC2CO2)c1
Show InChI InChI=1S/C19H17NO4/c1-21-14-7-8-16(18(9-14)23-12-15-11-22-15)19-10-17(20-24-19)13-5-3-2-4-6-13/h2-10,15H,11-12H2,1H3
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n/an/a 3.11E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in absence of Triton X-100 by modified Goldstein me...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346164
PNG
(5-(4-methoxy-2-(oxiran-2-ylmethoxy)phenyl)-3-pheny...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCC2CO2)c1
Show InChI InChI=1S/C19H17NO4/c1-21-14-7-8-16(18(9-14)23-12-15-11-22-15)19-10-17(20-24-19)13-5-3-2-4-6-13/h2-10,15H,11-12H2,1H3
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n/an/a 3.13E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in presence of 0.01% Triton X-100 by modified Golds...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346156
PNG
(CHEMBL1783781 | N-(3-(5-methoxy-2-(3-phenylisoxazo...)
Show SMILES CCCCN(C)CCCOc1cc(OC)ccc1-c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C24H30N2O3/c1-4-5-14-26(2)15-9-16-28-23-17-20(27-3)12-13-21(23)24-18-22(25-29-24)19-10-7-6-8-11-19/h6-8,10-13,17-18H,4-5,9,14-16H2,1-3H3
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n/an/a 3.73E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in absence of Triton X-100 by modified Goldstein me...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346156
PNG
(CHEMBL1783781 | N-(3-(5-methoxy-2-(3-phenylisoxazo...)
Show SMILES CCCCN(C)CCCOc1cc(OC)ccc1-c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C24H30N2O3/c1-4-5-14-26(2)15-9-16-28-23-17-20(27-3)12-13-21(23)24-18-22(25-29-24)19-10-7-6-8-11-19/h6-8,10-13,17-18H,4-5,9,14-16H2,1-3H3
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n/an/a 3.75E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in presence of 0.01% Triton X-100 by modified Golds...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346152
PNG
(5-(2-(3-chloropropoxy)-4-methoxyphenyl)-3-phenylis...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCCCCl)c1
Show InChI InChI=1S/C19H18ClNO3/c1-22-15-8-9-16(18(12-15)23-11-5-10-20)19-13-17(21-24-19)14-6-3-2-4-7-14/h2-4,6-9,12-13H,5,10-11H2,1H3
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n/an/a 5.68E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in absence of Triton X-100 by modified Goldstein me...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50346152
PNG
(5-(2-(3-chloropropoxy)-4-methoxyphenyl)-3-phenylis...)
Show SMILES COc1ccc(-c2cc(no2)-c2ccccc2)c(OCCCCl)c1
Show InChI InChI=1S/C19H18ClNO3/c1-22-15-8-9-16(18(12-15)23-11-5-10-20)19-13-17(21-24-19)14-6-3-2-4-7-14/h2-4,6-9,12-13H,5,10-11H2,1H3
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n/an/a 5.69E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in presence of 0.01% Triton X-100 by modified Golds...


Bioorg Med Chem 17: 5285-92 (2009)


Article DOI: 10.1016/j.bmc.2009.05.033
BindingDB Entry DOI: 10.7270/Q2J966QV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%