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Compile Data Set for Download or QSAR

Found 54 hits Enz. Inhib. hit(s) with all data for entry = 50045334   
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
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50057710
PNG
(CHEMBL3322839)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3cccc(c3)[N+]([O-])=O)s2)cc1
Show InChI InChI=1S/C21H13N5O6S/c27-19(14-2-1-3-16(12-14)26(30)31)22-21-24-23-20(33-21)13-4-8-17(9-5-13)32-18-10-6-15(7-11-18)25(28)29/h1-12H,(H,22,24,27)
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n/an/a 1.83E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50346601
PNG
(NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Ole...)
Show SMILES CC1(C)CC[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]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/a 1.86E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50057664
PNG
(CHEMBL3322846)
Show SMILES Cc1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H15N5O6S/c1-13-2-4-14(5-3-13)20(28)23-22-25-24-21(34-22)15-6-9-17(10-7-15)33-19-11-8-16(26(29)30)12-18(19)27(31)32/h2-12H,1H3,(H,23,25,28)
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n/an/a 2.47E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of Cdc25B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50057670
PNG
(CHEMBL3322855)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H12N6O8S/c28-19(13-2-1-3-14(10-13)25(29)30)22-21-24-23-20(36-21)12-4-7-16(8-5-12)35-18-9-6-15(26(31)32)11-17(18)27(33)34/h1-11H,(H,22,24,28)
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n/an/a 2.51E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of Cdc25B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50057670
PNG
(CHEMBL3322855)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H12N6O8S/c28-19(13-2-1-3-14(10-13)25(29)30)22-21-24-23-20(36-21)12-4-7-16(8-5-12)35-18-9-6-15(26(31)32)11-17(18)27(33)34/h1-11H,(H,22,24,28)
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n/an/a 2.67E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50057655
PNG
(CHEMBL3322829)
Show SMILES COc1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H16N4O5S/c1-30-17-8-2-14(3-9-17)20(27)23-22-25-24-21(32-22)15-4-10-18(11-5-15)31-19-12-6-16(7-13-19)26(28)29/h2-13H,1H3,(H,23,25,27)
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n/an/a 2.76E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of Cdc25B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50057672
PNG
(CHEMBL3322857)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)Cc3ccccc3)s2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H15N5O6S/c28-20(12-14-4-2-1-3-5-14)23-22-25-24-21(34-22)15-6-9-17(10-7-15)33-19-11-8-16(26(29)30)13-18(19)27(31)32/h1-11,13H,12H2,(H,23,25,28)
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n/an/a 3.28E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of Cdc25B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50057668
PNG
(CHEMBL3322853)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3ccccc3F)s2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H12FN5O6S/c22-16-4-2-1-3-15(16)19(28)23-21-25-24-20(34-21)12-5-8-14(9-6-12)33-18-10-7-13(26(29)30)11-17(18)27(31)32/h1-11H,(H,23,25,28)
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n/an/a 3.51E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50057658
PNG
(CHEMBL3322840)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3ccc(cc3)[N+]([O-])=O)s2)cc1
Show InChI InChI=1S/C21H13N5O6S/c27-19(13-1-5-15(6-2-13)25(28)29)22-21-24-23-20(33-21)14-3-9-17(10-4-14)32-18-11-7-16(8-12-18)26(30)31/h1-12H,(H,22,24,27)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50057712
PNG
(CHEMBL3322847)
Show SMILES COc1ccccc1C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H15N5O7S/c1-33-18-5-3-2-4-16(18)20(28)23-22-25-24-21(35-22)13-6-9-15(10-7-13)34-19-11-8-14(26(29)30)12-17(19)27(31)32/h2-12H,1H3,(H,23,25,28)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50057666
PNG
(CHEMBL3322850)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C24H19N5O9S/c1-35-19-10-14(11-20(36-2)21(19)37-3)22(30)25-24-27-26-23(39-24)13-4-7-16(8-5-13)38-18-9-6-15(28(31)32)12-17(18)29(33)34/h4-12H,1-3H3,(H,25,27,30)
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n/an/a 3.99E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of Cdc25B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50057672
PNG
(CHEMBL3322857)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)Cc3ccccc3)s2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H15N5O6S/c28-20(12-14-4-2-1-3-5-14)23-22-25-24-21(34-22)15-6-9-17(10-7-15)33-19-11-8-16(26(29)30)13-18(19)27(31)32/h1-11,13H,12H2,(H,23,25,28)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50057667
PNG
(CHEMBL3322852)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H12ClN5O6S/c22-14-5-1-12(2-6-14)19(28)23-21-25-24-20(34-21)13-3-8-16(9-4-13)33-18-10-7-15(26(29)30)11-17(18)27(31)32/h1-11H,(H,23,25,28)
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n/an/a 4.43E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of Cdc25B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50057662
PNG
(CHEMBL3322844)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)Cc3cccc4ccccc34)s2)cc1
Show InChI InChI=1S/C26H18N4O4S/c31-24(16-19-6-3-5-17-4-1-2-7-23(17)19)27-26-29-28-25(35-26)18-8-12-21(13-9-18)34-22-14-10-20(11-15-22)30(32)33/h1-15H,16H2,(H,27,29,31)
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n/an/a 5.16E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of Cdc25B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50057666
PNG
(CHEMBL3322850)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C24H19N5O9S/c1-35-19-10-14(11-20(36-2)21(19)37-3)22(30)25-24-27-26-23(39-24)13-4-7-16(8-5-13)38-18-9-6-15(28(31)32)12-17(18)29(33)34/h4-12H,1-3H3,(H,25,27,30)
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n/an/a 5.23E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50057668
PNG
(CHEMBL3322853)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3ccccc3F)s2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H12FN5O6S/c22-16-4-2-1-3-15(16)19(28)23-21-25-24-20(34-21)12-5-8-14(9-6-12)33-18-10-7-13(26(29)30)11-17(18)27(31)32/h1-11H,(H,23,25,28)
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n/an/a 5.42E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of Cdc25B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50057673
PNG
(CHEMBL3322858)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)Cc3cccc4ccccc34)s2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C26H17N5O6S/c32-24(14-18-6-3-5-16-4-1-2-7-21(16)18)27-26-29-28-25(38-26)17-8-11-20(12-9-17)37-23-13-10-19(30(33)34)15-22(23)31(35)36/h1-13,15H,14H2,(H,27,29,32)
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n/an/a 5.68E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of Cdc25B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50057673
PNG
(CHEMBL3322858)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)Cc3cccc4ccccc34)s2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C26H17N5O6S/c32-24(14-18-6-3-5-16-4-1-2-7-21(16)18)27-26-29-28-25(38-26)17-8-11-20(12-9-17)37-23-13-10-19(30(33)34)15-22(23)31(35)36/h1-13,15H,14H2,(H,27,29,32)
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n/an/a 6.06E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50057659
PNG
(CHEMBL3322841)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3ccco3)s2)cc1
Show InChI InChI=1S/C19H12N4O5S/c24-17(16-2-1-11-27-16)20-19-22-21-18(29-19)12-3-7-14(8-4-12)28-15-9-5-13(6-10-15)23(25)26/h1-11H,(H,20,22,24)
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n/an/a 6.43E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of Cdc25B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50057663
PNG
(CHEMBL3322845)
Show SMILES Cc1ccccc1C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H15N5O6S/c1-13-4-2-3-5-17(13)20(28)23-22-25-24-21(34-22)14-6-9-16(10-7-14)33-19-11-8-15(26(29)30)12-18(19)27(31)32/h2-12H,1H3,(H,23,25,28)
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n/an/a 6.51E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of Cdc25B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50057714
PNG
(CHEMBL3322851)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3cccc(Cl)c3)s2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H12ClN5O6S/c22-14-3-1-2-13(10-14)19(28)23-21-25-24-20(34-21)12-4-7-16(8-5-12)33-18-9-6-15(26(29)30)11-17(18)27(31)32/h1-11H,(H,23,25,28)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50057662
PNG
(CHEMBL3322844)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)Cc3cccc4ccccc34)s2)cc1
Show InChI InChI=1S/C26H18N4O4S/c31-24(16-19-6-3-5-17-4-1-2-7-23(17)19)27-26-29-28-25(35-26)18-8-12-21(13-9-18)34-22-14-10-20(11-15-22)30(32)33/h1-15H,16H2,(H,27,29,31)
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n/an/a 7.52E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50057713
PNG
(CHEMBL3322849)
Show SMILES COc1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H15N5O7S/c1-33-16-7-2-13(3-8-16)20(28)23-22-25-24-21(35-22)14-4-9-17(10-5-14)34-19-11-6-15(26(29)30)12-18(19)27(31)32/h2-12H,1H3,(H,23,25,28)
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n/an/a 7.59E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50057653
PNG
(CHEMBL3322833)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3ccccc3)s2)cc1
Show InChI InChI=1S/C21H14N4O4S/c26-19(14-4-2-1-3-5-14)22-21-24-23-20(30-21)15-6-10-17(11-7-15)29-18-12-8-16(9-13-18)25(27)28/h1-13H,(H,22,24,26)
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n/an/a 7.79E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of Cdc25B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50057661
PNG
(CHEMBL3322842)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3cccnc3)s2)cc1
Show InChI InChI=1S/C20H13N5O4S/c26-18(14-2-1-11-21-12-14)22-20-24-23-19(30-20)13-3-7-16(8-4-13)29-17-9-5-15(6-10-17)25(27)28/h1-12H,(H,22,24,26)
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n/an/a 8.01E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of Cdc25B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50057654
PNG
(CHEMBL3322830)
Show SMILES Cc1ccccc1C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H16N4O4S/c1-14-4-2-3-5-19(14)20(27)23-22-25-24-21(31-22)15-6-10-17(11-7-15)30-18-12-8-16(9-13-18)26(28)29/h2-13H,1H3,(H,23,25,27)
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n/an/a 8.04E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50391109
PNG
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...)
Show SMILES [O-][V]([O-])([O-])=O
Show InChI InChI=1S/4O.V/q;3*-1;
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n/an/a 8.09E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of Cdc25B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50057669
PNG
(CHEMBL3322854)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3ccccc3[N+]([O-])=O)s2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H12N6O8S/c28-19(15-3-1-2-4-16(15)26(31)32)22-21-24-23-20(36-21)12-5-8-14(9-6-12)35-18-10-7-13(25(29)30)11-17(18)27(33)34/h1-11H,(H,22,24,28)
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n/an/a 8.12E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50057665
PNG
(CHEMBL3322848)
Show SMILES COc1cccc(c1)C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H15N5O7S/c1-33-17-4-2-3-14(11-17)20(28)23-22-25-24-21(35-22)13-5-8-16(9-6-13)34-19-10-7-15(26(29)30)12-18(19)27(31)32/h2-12H,1H3,(H,23,25,28)
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n/an/a 8.32E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of Cdc25B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50057663
PNG
(CHEMBL3322845)
Show SMILES Cc1ccccc1C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H15N5O6S/c1-13-4-2-3-5-17(13)20(28)23-22-25-24-21(34-22)14-6-9-16(10-7-14)33-19-11-8-15(26(29)30)12-18(19)27(31)32/h2-12H,1H3,(H,23,25,28)
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n/an/a 8.44E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50057658
PNG
(CHEMBL3322840)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3ccc(cc3)[N+]([O-])=O)s2)cc1
Show InChI InChI=1S/C21H13N5O6S/c27-19(13-1-5-15(6-2-13)25(28)29)22-21-24-23-20(33-21)14-3-9-17(10-4-14)32-18-11-7-16(8-12-18)26(30)31/h1-12H,(H,22,24,27)
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n/an/a 8.54E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of Cdc25B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50057655
PNG
(CHEMBL3322829)
Show SMILES COc1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H16N4O5S/c1-30-17-8-2-14(3-9-17)20(27)23-22-25-24-21(32-22)15-4-10-18(11-5-15)31-19-12-6-16(7-13-19)26(28)29/h2-13H,1H3,(H,23,25,27)
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n/an/a 9.07E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50057709
PNG
(CHEMBL3322838)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3ccccc3[N+]([O-])=O)s2)cc1
Show InChI InChI=1S/C21H13N5O6S/c27-19(17-3-1-2-4-18(17)26(30)31)22-21-24-23-20(33-21)13-5-9-15(10-6-13)32-16-11-7-14(8-12-16)25(28)29/h1-12H,(H,22,24,27)
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n/an/a 9.17E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50057671
PNG
(CHEMBL3322856)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H12N6O8S/c28-19(12-1-5-14(6-2-12)25(29)30)22-21-24-23-20(36-21)13-3-8-16(9-4-13)35-18-10-7-15(26(31)32)11-17(18)27(33)34/h1-11H,(H,22,24,28)
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n/an/a 9.40E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of Cdc25B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50057654
PNG
(CHEMBL3322830)
Show SMILES Cc1ccccc1C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H16N4O4S/c1-14-4-2-3-5-19(14)20(27)23-22-25-24-21(31-22)15-6-10-17(11-7-15)30-18-12-8-16(9-13-18)26(28)29/h2-13H,1H3,(H,23,25,27)
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n/an/a 9.41E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of Cdc25B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50057653
PNG
(CHEMBL3322833)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3ccccc3)s2)cc1
Show InChI InChI=1S/C21H14N4O4S/c26-19(14-4-2-1-3-5-14)22-21-24-23-20(30-21)15-6-10-17(11-7-15)29-18-12-8-16(9-13-18)25(27)28/h1-13H,(H,22,24,26)
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n/an/a 9.89E+3n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50057661
PNG
(CHEMBL3322842)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3cccnc3)s2)cc1
Show InChI InChI=1S/C20H13N5O4S/c26-18(14-2-1-11-21-12-14)22-20-24-23-19(30-20)13-3-7-16(8-4-13)29-17-9-5-15(6-10-17)25(27)28/h1-12H,(H,22,24,26)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50057656
PNG
(CHEMBL3322835)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3ccccc3F)s2)cc1
Show InChI InChI=1S/C21H13FN4O4S/c22-18-4-2-1-3-17(18)19(27)23-21-25-24-20(31-21)13-5-9-15(10-6-13)30-16-11-7-14(8-12-16)26(28)29/h1-12H,(H,23,25,27)
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n/an/a 1.02E+4n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of Cdc25B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50057657
PNG
(CHEMBL3322836)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3cccc(F)c3)s2)cc1
Show InChI InChI=1S/C21H13FN4O4S/c22-15-3-1-2-14(12-15)19(27)23-21-25-24-20(31-21)13-4-8-17(9-5-13)30-18-10-6-16(7-11-18)26(28)29/h1-12H,(H,23,25,27)
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n/an/a 1.05E+4n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of Cdc25B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50057664
PNG
(CHEMBL3322846)
Show SMILES Cc1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H15N5O6S/c1-13-2-4-14(5-3-13)20(28)23-22-25-24-21(34-22)15-6-9-17(10-7-15)33-19-11-8-16(26(29)30)12-18(19)27(31)32/h2-12H,1H3,(H,23,25,28)
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n/an/a 1.07E+4n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50057665
PNG
(CHEMBL3322848)
Show SMILES COc1cccc(c1)C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H15N5O7S/c1-33-17-4-2-3-14(11-17)20(28)23-22-25-24-21(35-22)13-5-8-16(9-6-13)34-19-10-7-15(26(29)30)12-18(19)27(31)32/h2-12H,1H3,(H,23,25,28)
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n/an/a 1.08E+4n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50057659
PNG
(CHEMBL3322841)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3ccco3)s2)cc1
Show InChI InChI=1S/C19H12N4O5S/c24-17(16-2-1-11-27-16)20-19-22-21-18(29-19)12-3-7-14(8-4-12)28-15-9-5-13(6-10-15)23(25)26/h1-11H,(H,20,22,24)
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n/an/a 1.13E+4n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))		BDBM50346601
PNG
(NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Ole...)
Show SMILES CC1(C)CC[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]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of TCPTP (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50057711
PNG
(CHEMBL3322843)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)Cc3ccccc3)s2)cc1
Show InChI InChI=1S/C22H16N4O4S/c27-20(14-15-4-2-1-3-5-15)23-22-25-24-21(31-22)16-6-10-18(11-7-16)30-19-12-8-17(9-13-19)26(28)29/h1-13H,14H2,(H,23,25,27)
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n/an/a 1.25E+4n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50057675
PNG
(CHEMBL3322832)
Show SMILES COc1ccccc1C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H16N4O5S/c1-30-19-5-3-2-4-18(19)20(27)23-22-25-24-21(32-22)14-6-10-16(11-7-14)31-17-12-8-15(9-13-17)26(28)29/h2-13H,1H3,(H,23,25,27)
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n/an/a 1.31E+4n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50057676
PNG
(CHEMBL3322834)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3ccccc3Cl)s2)cc1
Show InChI InChI=1S/C21H13ClN4O4S/c22-18-4-2-1-3-17(18)19(27)23-21-25-24-20(31-21)13-5-9-15(10-6-13)30-16-11-7-14(8-12-16)26(28)29/h1-12H,(H,23,25,27)
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n/an/a 1.37E+4n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50057669
PNG
(CHEMBL3322854)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3ccccc3[N+]([O-])=O)s2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H12N6O8S/c28-19(15-3-1-2-4-16(15)26(31)32)22-21-24-23-20(36-21)12-5-8-14(9-6-12)35-18-10-7-13(25(29)30)11-17(18)27(33)34/h1-11H,(H,22,24,28)
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n/an/a 1.57E+4n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of Cdc25B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50057671
PNG
(CHEMBL3322856)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H12N6O8S/c28-19(12-1-5-14(6-2-12)25(29)30)22-21-24-23-20(36-21)13-3-8-16(9-4-13)35-18-10-7-15(26(31)32)11-17(18)27(33)34/h1-11H,(H,22,24,28)
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n/an/a 1.58E+4n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50057656
PNG
(CHEMBL3322835)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3ccccc3F)s2)cc1
Show InChI InChI=1S/C21H13FN4O4S/c22-18-4-2-1-3-17(18)19(27)23-21-25-24-20(31-21)13-5-9-15(10-6-13)30-16-11-7-14(8-12-16)26(28)29/h1-12H,(H,23,25,27)
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n/an/a 1.71E+4n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50057674
PNG
(CHEMBL3322831)
Show SMILES Cc1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H16N4O4S/c1-14-2-4-15(5-3-14)20(27)23-22-25-24-21(31-22)16-6-10-18(11-7-16)30-19-12-8-17(9-13-19)26(28)29/h2-13H,1H3,(H,23,25,27)
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n/an/a 1.91E+4n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 24: 4125-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR
More data for this
Ligand-Target Pair
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