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Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'piao' and Initial = 'hr'   
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))
BDBM50351780
PNG
(CHEMBL1823762)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccccc1Cl
Show InChI InChI=1S/C29H23ClFNO4/c30-25-7-3-1-5-20(25)12-14-28(33)32-27(29(34)35)16-19-9-10-22-17-24(13-11-21(22)15-19)36-18-23-6-2-4-8-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b14-12+
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n/an/a 1.25E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B using p-nitrophenyl phosphate as substrate


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50351784
PNG
(CHEMBL1823958)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C29H23BrFNO4/c30-24-11-6-19(7-12-24)8-14-28(33)32-27(29(34)35)16-20-5-9-22-17-25(13-10-21(22)15-20)36-18-23-3-1-2-4-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b14-8+
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n/an/a 1.57E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B using p-nitrophenyl phosphate as substrate


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50351783
PNG
(CHEMBL1823957)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccccc1Br
Show InChI InChI=1S/C29H23BrFNO4/c30-25-7-3-1-5-20(25)12-14-28(33)32-27(29(34)35)16-19-9-10-22-17-24(13-11-21(22)15-19)36-18-23-6-2-4-8-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b14-12+
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n/an/a 1.77E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B using p-nitrophenyl phosphate as substrate


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM243059
PNG
(PTP inhibitor, 4k)
Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1/C16H11F3O4/c17-16(18,19)9-3-1-2-8(4-9)13-7-12(22)15-11(21)5-10(20)6-14(15)23-13/h1-6,13,20-21H,7H2
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n/an/a 2.37E+3n/an/an/an/a6.530



Yanbian University College of Pharmacy



Assay Description
Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...


J Enzyme Inhib Med Chem 28: 1199-204 (2013)


Article DOI: 10.3109/14756366.2012.723206
BindingDB Entry DOI: 10.7270/Q2668C3G
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM243055
PNG
(PTP inhibitor, 4g)
Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(Cl)cc1Cl
Show InChI InChI=1/C15H10Cl2O4/c16-7-1-2-9(10(17)3-7)13-6-12(20)15-11(19)4-8(18)5-14(15)21-13/h1-5,13,18-19H,6H2
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n/an/a 2.40E+3n/an/an/an/a6.530



Yanbian University College of Pharmacy



Assay Description
Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...


J Enzyme Inhib Med Chem 28: 1199-204 (2013)


Article DOI: 10.3109/14756366.2012.723206
BindingDB Entry DOI: 10.7270/Q2668C3G
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50351780
PNG
(CHEMBL1823762)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccccc1Cl
Show InChI InChI=1S/C29H23ClFNO4/c30-25-7-3-1-5-20(25)12-14-28(33)32-27(29(34)35)16-19-9-10-22-17-24(13-11-21(22)15-19)36-18-23-6-2-4-8-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b14-12+
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n/an/a 2.43E+3n/an/an/an/a8.0n/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SHP1 in Tris buffer at pH 8 using OMPF as substrate


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50351797
PNG
(CHEMBL1823759)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccccc1F
Show InChI InChI=1S/C29H23F2NO4/c30-25-7-3-1-5-20(25)12-14-28(33)32-27(29(34)35)16-19-9-10-22-17-24(13-11-21(22)15-19)36-18-23-6-2-4-8-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b14-12+
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n/an/a 2.49E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B using p-nitrophenyl phosphate as substrate


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50351784
PNG
(CHEMBL1823958)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C29H23BrFNO4/c30-24-11-6-19(7-12-24)8-14-28(33)32-27(29(34)35)16-20-5-9-22-17-25(13-10-21(22)15-20)36-18-23-3-1-2-4-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b14-8+
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n/an/a 2.49E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDC25B


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50351782
PNG
(CHEMBL1823956)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C29H23ClFNO4/c30-24-11-6-19(7-12-24)8-14-28(33)32-27(29(34)35)16-20-5-9-22-17-25(13-10-21(22)15-20)36-18-23-3-1-2-4-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b14-8+
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n/an/a 2.59E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B using p-nitrophenyl phosphate as substrate


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50351782
PNG
(CHEMBL1823956)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C29H23ClFNO4/c30-24-11-6-19(7-12-24)8-14-28(33)32-27(29(34)35)16-20-5-9-22-17-25(13-10-21(22)15-20)36-18-23-3-1-2-4-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b14-8+
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n/an/a 2.63E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDC25B


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM243051
PNG
(PTP inhibitor, 4c)
Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(F)cc1
Show InChI InChI=1/C15H11FO4/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,17-18H,7H2
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n/an/a 2.66E+3n/an/an/an/a6.530



Yanbian University College of Pharmacy



Assay Description
Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...


J Enzyme Inhib Med Chem 28: 1199-204 (2013)


Article DOI: 10.3109/14756366.2012.723206
BindingDB Entry DOI: 10.7270/Q2668C3G
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50351778
PNG
(CHEMBL1823760)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1cccc(F)c1
Show InChI InChI=1S/C29H23F2NO4/c30-24-6-3-4-19(15-24)9-13-28(33)32-27(29(34)35)16-20-8-10-22-17-25(12-11-21(22)14-20)36-18-23-5-1-2-7-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b13-9+
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n/an/a 2.79E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B using p-nitrophenyl phosphate as substrate


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50351783
PNG
(CHEMBL1823957)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccccc1Br
Show InChI InChI=1S/C29H23BrFNO4/c30-25-7-3-1-5-20(25)12-14-28(33)32-27(29(34)35)16-19-9-10-22-17-24(13-11-21(22)15-19)36-18-23-6-2-4-8-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b14-12+
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n/an/a 2.89E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDC25B


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50351797
PNG
(CHEMBL1823759)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccccc1F
Show InChI InChI=1S/C29H23F2NO4/c30-25-7-3-1-5-20(25)12-14-28(33)32-27(29(34)35)16-19-9-10-22-17-24(13-11-21(22)15-19)36-18-23-6-2-4-8-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b14-12+
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n/an/a 3.02E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of TCPTP


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50351780
PNG
(CHEMBL1823762)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccccc1Cl
Show InChI InChI=1S/C29H23ClFNO4/c30-25-7-3-1-5-20(25)12-14-28(33)32-27(29(34)35)16-19-9-10-22-17-24(13-11-21(22)15-19)36-18-23-6-2-4-8-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b14-12+
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n/an/a 3.08E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDC25B


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM23197
PNG
((1S,2R,4aS,6aS,6bR,10S,12aR,12bR,14bS)-10-hydroxy-...)
Show SMILES [H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@@]12C)C(O)=O |r,t:15|
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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n/an/a 3.20E+3n/an/an/an/a6.530



Yanbian University College of Pharmacy



Assay Description
Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...


J Enzyme Inhib Med Chem 28: 1199-204 (2013)


Article DOI: 10.3109/14756366.2012.723206
BindingDB Entry DOI: 10.7270/Q2668C3G
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50351779
PNG
(CHEMBL1823761)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccc(F)cc1
Show InChI InChI=1S/C29H23F2NO4/c30-24-11-6-19(7-12-24)8-14-28(33)32-27(29(34)35)16-20-5-9-22-17-25(13-10-21(22)15-20)36-18-23-3-1-2-4-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b14-8+
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n/an/a 3.38E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B using p-nitrophenyl phosphate as substrate


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
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 |r,c:9|
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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n/an/a 3.40E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B using p-nitrophenyl phosphate as substrate


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM243058
PNG
(PTP inhibitor, 4j)
Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(Br)cc1
Show InChI InChI=1/C15H11BrO4/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,17-18H,7H2
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n/an/a 3.48E+3n/an/an/an/a6.530



Yanbian University College of Pharmacy



Assay Description
Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...


J Enzyme Inhib Med Chem 28: 1199-204 (2013)


Article DOI: 10.3109/14756366.2012.723206
BindingDB Entry DOI: 10.7270/Q2668C3G
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM243054
PNG
(PTP inhibitor, 4f)
Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(Cl)cc1
Show InChI InChI=1/C15H11ClO4/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,17-18H,7H2
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n/an/a 3.60E+3n/an/an/an/a6.530



Yanbian University College of Pharmacy



Assay Description
Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...


J Enzyme Inhib Med Chem 28: 1199-204 (2013)


Article DOI: 10.3109/14756366.2012.723206
BindingDB Entry DOI: 10.7270/Q2668C3G
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50351784
PNG
(CHEMBL1823958)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C29H23BrFNO4/c30-24-11-6-19(7-12-24)8-14-28(33)32-27(29(34)35)16-20-5-9-22-17-25(13-10-21(22)15-20)36-18-23-3-1-2-4-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b14-8+
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n/an/a 3.67E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of TCPTP


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50351780
PNG
(CHEMBL1823762)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccccc1Cl
Show InChI InChI=1S/C29H23ClFNO4/c30-25-7-3-1-5-20(25)12-14-28(33)32-27(29(34)35)16-19-9-10-22-17-24(13-11-21(22)15-19)36-18-23-6-2-4-8-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b14-12+
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n/an/a 3.84E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of TCPTP


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50351781
PNG
(CHEMBL1823763)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1cccc(Cl)c1
Show InChI InChI=1S/C29H23ClFNO4/c30-24-6-3-4-19(15-24)9-13-28(33)32-27(29(34)35)16-20-8-10-22-17-25(12-11-21(22)14-20)36-18-23-5-1-2-7-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b13-9+
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n/an/a 4.00E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B using p-nitrophenyl phosphate as substrate


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM243053
PNG
(PTP inhibitor, 4e)
Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1cccc(Cl)c1
Show InChI InChI=1/C15H11ClO4/c16-9-3-1-2-8(4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,17-18H,7H2
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n/an/a 4.18E+3n/an/an/an/a6.530



Yanbian University College of Pharmacy



Assay Description
Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...


J Enzyme Inhib Med Chem 28: 1199-204 (2013)


Article DOI: 10.3109/14756366.2012.723206
BindingDB Entry DOI: 10.7270/Q2668C3G
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50351785
PNG
(CHEMBL1823959)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C29H22Cl2FNO4/c30-23-10-7-19(25(31)16-23)9-12-28(34)33-27(29(35)36)14-18-5-6-21-15-24(11-8-20(21)13-18)37-17-22-3-1-2-4-26(22)32/h1-13,15-16,27H,14,17H2,(H,33,34)(H,35,36)/b12-9+
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n/an/a 4.22E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B using p-nitrophenyl phosphate as substrate


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50351782
PNG
(CHEMBL1823956)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C29H23ClFNO4/c30-24-11-6-19(7-12-24)8-14-28(33)32-27(29(34)35)16-20-5-9-22-17-25(13-10-21(22)15-20)36-18-23-3-1-2-4-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b14-8+
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n/an/a 4.33E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of TCPTP


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50351775
PNG
(CHEMBL1823963)
Show SMILES COc1ccc(\C=C\C(=O)NC(Cc2ccc3cc(OCc4ccccc4F)ccc3c2)C(O)=O)cc1OC
Show InChI InChI=1S/C31H28FNO6/c1-37-28-13-8-20(17-29(28)38-2)9-14-30(34)33-27(31(35)36)16-21-7-10-23-18-25(12-11-22(23)15-21)39-19-24-5-3-4-6-26(24)32/h3-15,17-18,27H,16,19H2,1-2H3,(H,33,34)(H,35,36)/b14-9+
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n/an/a 4.45E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B using p-nitrophenyl phosphate as substrate


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50351797
PNG
(CHEMBL1823759)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccccc1F
Show InChI InChI=1S/C29H23F2NO4/c30-25-7-3-1-5-20(25)12-14-28(33)32-27(29(34)35)16-19-9-10-22-17-24(13-11-21(22)15-19)36-18-23-6-2-4-8-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b14-12+
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n/an/a 4.58E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDC25B


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50351783
PNG
(CHEMBL1823957)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccccc1Br
Show InChI InChI=1S/C29H23BrFNO4/c30-25-7-3-1-5-20(25)12-14-28(33)32-27(29(34)35)16-19-9-10-22-17-24(13-11-21(22)15-19)36-18-23-6-2-4-8-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b14-12+
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n/an/a 4.66E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of TCPTP


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50351786
PNG
(CHEMBL1823960)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H22Cl2FNO4/c30-24-11-6-18(14-25(24)31)7-12-28(34)33-27(29(35)36)15-19-5-8-21-16-23(10-9-20(21)13-19)37-17-22-3-1-2-4-26(22)32/h1-14,16,27H,15,17H2,(H,33,34)(H,35,36)/b12-7+
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n/an/a 4.71E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B using p-nitrophenyl phosphate as substrate


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM243056
PNG
(PTP inhibitor, 4h)
Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccccc1Br
Show InChI InChI=1/C15H11BrO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-6,13,17-18H,7H2
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n/an/a 4.90E+3n/an/an/an/a6.530



Yanbian University College of Pharmacy



Assay Description
Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...


J Enzyme Inhib Med Chem 28: 1199-204 (2013)


Article DOI: 10.3109/14756366.2012.723206
BindingDB Entry DOI: 10.7270/Q2668C3G
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50351778
PNG
(CHEMBL1823760)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1cccc(F)c1
Show InChI InChI=1S/C29H23F2NO4/c30-24-6-3-4-19(15-24)9-13-28(33)32-27(29(34)35)16-20-8-10-22-17-25(12-11-21(22)14-20)36-18-23-5-1-2-7-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b13-9+
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n/an/a 5.13E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDC25B


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50351781
PNG
(CHEMBL1823763)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1cccc(Cl)c1
Show InChI InChI=1S/C29H23ClFNO4/c30-24-6-3-4-19(15-24)9-13-28(33)32-27(29(34)35)16-20-8-10-22-17-25(12-11-21(22)14-20)36-18-23-5-1-2-7-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b13-9+
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n/an/a 5.35E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDC25B


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50351786
PNG
(CHEMBL1823960)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H22Cl2FNO4/c30-24-11-6-18(14-25(24)31)7-12-28(34)33-27(29(35)36)15-19-5-8-21-16-23(10-9-20(21)13-19)37-17-22-3-1-2-4-26(22)32/h1-14,16,27H,15,17H2,(H,33,34)(H,35,36)/b12-7+
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n/an/a 5.63E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDC25B


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50351774
PNG
(CHEMBL1823962)
Show SMILES COc1ccc(\C=C\C(=O)NC(Cc2ccc3cc(OCc4ccccc4F)ccc3c2)C(O)=O)cc1
Show InChI InChI=1S/C30H26FNO5/c1-36-25-12-7-20(8-13-25)9-15-29(33)32-28(30(34)35)17-21-6-10-23-18-26(14-11-22(23)16-21)37-19-24-4-2-3-5-27(24)31/h2-16,18,28H,17,19H2,1H3,(H,32,33)(H,34,35)/b15-9+
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n/an/a 5.90E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B using p-nitrophenyl phosphate as substrate


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50351779
PNG
(CHEMBL1823761)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccc(F)cc1
Show InChI InChI=1S/C29H23F2NO4/c30-24-11-6-19(7-12-24)8-14-28(33)32-27(29(34)35)16-20-5-9-22-17-25(13-10-21(22)15-20)36-18-23-3-1-2-4-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b14-8+
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n/an/a 5.96E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of TCPTP


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50351778
PNG
(CHEMBL1823760)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1cccc(F)c1
Show InChI InChI=1S/C29H23F2NO4/c30-24-6-3-4-19(15-24)9-13-28(33)32-27(29(34)35)16-20-8-10-22-17-25(12-11-21(22)14-20)36-18-23-5-1-2-7-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b13-9+
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n/an/a 6.08E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of TCPTP


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50351785
PNG
(CHEMBL1823959)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C29H22Cl2FNO4/c30-23-10-7-19(25(31)16-23)9-12-28(34)33-27(29(35)36)14-18-5-6-21-15-24(11-8-20(21)13-18)37-17-22-3-1-2-4-26(22)32/h1-13,15-16,27H,14,17H2,(H,33,34)(H,35,36)/b12-9+
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n/an/a 6.11E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of TCPTP


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50351776
PNG
(CHEMBL1823964)
Show SMILES Cc1ccc(\C=C\C(=O)NC(Cc2ccc3cc(OCc4ccccc4F)ccc3c2)C(O)=O)cc1
Show InChI InChI=1S/C30H26FNO4/c1-20-6-8-21(9-7-20)11-15-29(33)32-28(30(34)35)17-22-10-12-24-18-26(14-13-23(24)16-22)36-19-25-4-2-3-5-27(25)31/h2-16,18,28H,17,19H2,1H3,(H,32,33)(H,34,35)/b15-11+
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n/an/a 6.48E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B using p-nitrophenyl phosphate as substrate


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50351792
PNG
(CHEMBL1823749)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)c1ccccc1
Show InChI InChI=1S/C27H22FNO4/c28-24-9-5-4-8-22(24)17-33-23-13-12-20-14-18(10-11-21(20)16-23)15-25(27(31)32)29-26(30)19-6-2-1-3-7-19/h1-14,16,25H,15,17H2,(H,29,30)(H,31,32)
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n/an/a 6.55E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B using p-nitrophenyl phosphate as substrate


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50351779
PNG
(CHEMBL1823761)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccc(F)cc1
Show InChI InChI=1S/C29H23F2NO4/c30-24-11-6-19(7-12-24)8-14-28(33)32-27(29(34)35)16-20-5-9-22-17-25(13-10-21(22)15-20)36-18-23-3-1-2-4-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b14-8+
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n/an/a 6.60E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDC25B


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(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 |r,c:9|
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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n/an/a 6.70E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of TCPTP


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50351775
PNG
(CHEMBL1823963)
Show SMILES COc1ccc(\C=C\C(=O)NC(Cc2ccc3cc(OCc4ccccc4F)ccc3c2)C(O)=O)cc1OC
Show InChI InChI=1S/C31H28FNO6/c1-37-28-13-8-20(17-29(28)38-2)9-14-30(34)33-27(31(35)36)16-21-7-10-23-18-25(12-11-22(23)15-21)39-19-24-5-3-4-6-26(24)32/h3-15,17-18,27H,16,19H2,1-2H3,(H,33,34)(H,35,36)/b14-9+
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n/an/a 7.04E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDC25B


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50351781
PNG
(CHEMBL1823763)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1cccc(Cl)c1
Show InChI InChI=1S/C29H23ClFNO4/c30-24-6-3-4-19(15-24)9-13-28(33)32-27(29(34)35)16-20-8-10-22-17-25(12-11-21(22)14-20)36-18-23-5-1-2-7-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b13-9+
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n/an/a 7.24E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of TCPTP


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM243057
PNG
(PTP inhibitor, 4i)
Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1cccc(Br)c1
Show InChI InChI=1/C15H11BrO4/c16-9-3-1-2-8(4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,17-18H,7H2
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n/an/a 7.33E+3n/an/an/an/a6.530



Yanbian University College of Pharmacy



Assay Description
Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...


J Enzyme Inhib Med Chem 28: 1199-204 (2013)


Article DOI: 10.3109/14756366.2012.723206
BindingDB Entry DOI: 10.7270/Q2668C3G
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50351777
PNG
(CHEMBL1823755)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C28H23ClFNO4/c29-23-10-6-18(7-11-23)15-27(32)31-26(28(33)34)14-19-5-8-21-16-24(12-9-20(21)13-19)35-17-22-3-1-2-4-25(22)30/h1-13,16,26H,14-15,17H2,(H,31,32)(H,33,34)
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n/an/a 7.91E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B using p-nitrophenyl phosphate as substrate


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM243050
PNG
(PTP inhibitor, 4b)
Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1cccc(F)c1
Show InChI InChI=1/C15H11FO4/c16-9-3-1-2-8(4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,17-18H,7H2
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n/an/a 7.98E+3n/an/an/an/a6.530



Yanbian University College of Pharmacy



Assay Description
Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...


J Enzyme Inhib Med Chem 28: 1199-204 (2013)


Article DOI: 10.3109/14756366.2012.723206
BindingDB Entry DOI: 10.7270/Q2668C3G
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50351773
PNG
(CHEMBL1823961)
Show SMILES COc1cccc(\C=C\C(=O)NC(Cc2ccc3cc(OCc4ccccc4F)ccc3c2)C(O)=O)c1
Show InChI InChI=1S/C30H26FNO5/c1-36-25-7-4-5-20(16-25)10-14-29(33)32-28(30(34)35)17-21-9-11-23-18-26(13-12-22(23)15-21)37-19-24-6-2-3-8-27(24)31/h2-16,18,28H,17,19H2,1H3,(H,32,33)(H,34,35)/b14-10+
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n/an/a 8.15E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B using p-nitrophenyl phosphate as substrate


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50351777
PNG
(CHEMBL1823755)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C28H23ClFNO4/c29-23-10-6-18(7-11-23)15-27(32)31-26(28(33)34)14-19-5-8-21-16-24(12-9-20(21)13-19)35-17-22-3-1-2-4-25(22)30/h1-13,16,26H,14-15,17H2,(H,31,32)(H,33,34)
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n/an/a 8.44E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDC25B


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM243059
PNG
(PTP inhibitor, 4k)
Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1/C16H11F3O4/c17-16(18,19)9-3-1-2-8(4-9)13-7-12(22)15-11(21)5-10(20)6-14(15)23-13/h1-6,13,20-21H,7H2
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n/an/a 8.54E+3n/an/an/an/a6.530



Yanbian University College of Pharmacy



Assay Description
Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...


J Enzyme Inhib Med Chem 28: 1199-204 (2013)


Article DOI: 10.3109/14756366.2012.723206
BindingDB Entry DOI: 10.7270/Q2668C3G
More data for this
Ligand-Target Pair
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