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Compile Data Set for Download or QSAR

Found 64 hits of ic50 data for polymerid = 4975   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50168874
PNG
(3-{5-[1-(4-Fluoro-phenyl)-meth-(Z)-ylidene]-4-oxo-...)
Show SMILES OC(=O)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(F)cc2)C1=O
Show InChI InChI=1S/C17H10FNO3S2/c18-12-6-4-10(5-7-12)8-14-15(20)19(17(23)24-14)13-3-1-2-11(9-13)16(21)22/h1-9H,(H,21,22)/b14-8-
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n/an/a 1.30E+3n/an/an/an/an/an/a



Ceptyr Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK-stimulating phosphatase-1 (JSP-1)

Bioorg Med Chem Lett 15: 3374-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.034
BindingDB Entry DOI: 10.7270/Q2NG4Q4B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50425807
PNG
(CHEMBL2316902)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(c3)C(F)(F)F)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C24H13F3O4/c25-24(26,27)16-8-4-5-14(11-16)9-10-17-18-12-19(23(29)30)20(28)13-21(18)31-22(17)15-6-2-1-3-7-15/h1-8,11-13,28H,(H,29,30)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of VHX (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis

J Med Chem 56: 832-42 (2013)


Article DOI: 10.1021/jm301781p
BindingDB Entry DOI: 10.7270/Q2KK9D4X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50425806
PNG
(CHEMBL2316907)
Show SMILES OC(=O)c1cc2c(C#Cc3ccc(OC(F)(F)F)cc3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C24H13F3O5/c25-24(26,27)32-16-9-6-14(7-10-16)8-11-17-18-12-19(23(29)30)20(28)13-21(18)31-22(17)15-4-2-1-3-5-15/h1-7,9-10,12-13,28H,(H,29,30)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of VHX (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis

J Med Chem 56: 832-42 (2013)


Article DOI: 10.1021/jm301781p
BindingDB Entry DOI: 10.7270/Q2KK9D4X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50556732
PNG
(CHEMBL4750435)
Show SMILES COc1ccc(cc1)-n1cc(-c2ccc3ccc(=O)oc3c2)c2cc(cnc12)-c1ccc(cc1)C(O)=O
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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DUSP22 (unknown origin) pre-incubated for 20 mins followed by fluorescence substrate addition and measured after 120 mins by DiFMUP ass...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50205422
PNG
(CHEMBL230941 | N3-cyclohexyl-N1-(2,3-di(furan-2-yl...)
Show SMILES O=C(NC1CCCCC1)C1CCCN(C1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1 |w:9.9|
Show InChI InChI=1S/C29H31N5O4/c35-28(30-20-8-2-1-3-9-20)19-7-4-14-34(18-19)29(36)31-21-12-13-22-23(17-21)33-27(25-11-6-16-38-25)26(32-22)24-10-5-15-37-24/h5-6,10-13,15-17,19-20H,1-4,7-9,14,18H2,(H,30,35)(H,31,36)
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n/an/a 2.25E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant JSP1

Bioorg Med Chem Lett 17: 2118-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.094
BindingDB Entry DOI: 10.7270/Q2R49QFR
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50205419
PNG
(CHEMBL230472 | N3-butyl-N1-(2,3-di(furan-2-yl)quin...)
Show SMILES CCCCN(CC)C(=O)C1CCCN(C1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1 |w:9.8|
Show InChI InChI=1S/C29H33N5O4/c1-3-5-14-33(4-2)28(35)20-9-6-15-34(19-20)29(36)30-21-12-13-22-23(18-21)32-27(25-11-8-17-38-25)26(31-22)24-10-7-16-37-24/h7-8,10-13,16-18,20H,3-6,9,14-15,19H2,1-2H3,(H,30,36)
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n/an/a 2.35E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant JSP1

Bioorg Med Chem Lett 17: 2118-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.094
BindingDB Entry DOI: 10.7270/Q2R49QFR
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50205439
PNG
(CHEMBL230576 | N1-(2,3-di(furan-2-yl)quinoxalin-6-...)
Show SMILES CCCN(CCC)C(=O)C1CCCN(C1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1 |w:9.8|
Show InChI InChI=1S/C29H33N5O4/c1-3-13-33(14-4-2)28(35)20-8-5-15-34(19-20)29(36)30-21-11-12-22-23(18-21)32-27(25-10-7-17-38-25)26(31-22)24-9-6-16-37-24/h6-7,9-12,16-18,20H,3-5,8,13-15,19H2,1-2H3,(H,30,36)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant JSP1

Bioorg Med Chem Lett 17: 2118-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.094
BindingDB Entry DOI: 10.7270/Q2R49QFR
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50168885
PNG
(3-{5-[1-(4-Nitro-phenyl)-meth-(Z)-ylidene]-4-oxo-2...)
Show SMILES OC(=O)c1cccc(c1)-n1c([O-])c([CH+]c2ccc(cc2)[N+]([O-])=O)sc1=S
Show InChI InChI=1S/C17H10N2O5S2/c20-15-14(8-10-4-6-12(7-5-10)19(23)24)26-17(25)18(15)13-3-1-2-11(9-13)16(21)22/h1-9H,(H-,20,21,22)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Ceptyr Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK-stimulating phosphatase-1 (JSP-1)

Bioorg Med Chem Lett 15: 3374-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.034
BindingDB Entry DOI: 10.7270/Q2NG4Q4B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50205438
PNG
(CHEMBL396800 | N3-butyl-N1-(2,3-di(furan-2-yl)quin...)
Show SMILES CCCCNC(=O)C1CCCN(C1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1 |w:7.6|
Show InChI InChI=1S/C27H29N5O4/c1-2-3-12-28-26(33)18-7-4-13-32(17-18)27(34)29-19-10-11-20-21(16-19)31-25(23-9-6-15-36-23)24(30-20)22-8-5-14-35-22/h5-6,8-11,14-16,18H,2-4,7,12-13,17H2,1H3,(H,28,33)(H,29,34)
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n/an/a 2.79E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant JSP1

Bioorg Med Chem Lett 17: 2118-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.094
BindingDB Entry DOI: 10.7270/Q2R49QFR
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50425808
PNG
(CHEMBL2316906)
Show SMILES OC(=O)c1cc2c(C#Cc3cc(F)cc(F)c3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C23H12F2O4/c24-15-8-13(9-16(25)10-15)6-7-17-18-11-19(23(27)28)20(26)12-21(18)29-22(17)14-4-2-1-3-5-14/h1-5,8-12,26H,(H,27,28)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of VHX (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis

J Med Chem 56: 832-42 (2013)


Article DOI: 10.1021/jm301781p
BindingDB Entry DOI: 10.7270/Q2KK9D4X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50205426
PNG
(CHEMBL230843 | N3-cyclopentyl-N1-(2,3-di(furan-2-y...)
Show SMILES O=C(NC1CCCC1)C1CCCN(C1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1 |w:8.8|
Show InChI InChI=1S/C28H29N5O4/c34-27(29-19-7-1-2-8-19)18-6-3-13-33(17-18)28(35)30-20-11-12-21-22(16-20)32-26(24-10-5-15-37-24)25(31-21)23-9-4-14-36-23/h4-5,9-12,14-16,18-19H,1-3,6-8,13,17H2,(H,29,34)(H,30,35)
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n/an/a 3.02E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant JSP1

Bioorg Med Chem Lett 17: 2118-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.094
BindingDB Entry DOI: 10.7270/Q2R49QFR
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50168896
PNG
(4-{5-[1-(4-Fluoro-phenyl)-meth-(Z)-ylidene]-4-oxo-...)
Show SMILES OC(=O)c1ccc(cc1)N1C(=S)S\C(=C/c2ccc(F)cc2)C1=O
Show InChI InChI=1S/C17H10FNO3S2/c18-12-5-1-10(2-6-12)9-14-15(20)19(17(23)24-14)13-7-3-11(4-8-13)16(21)22/h1-9H,(H,21,22)/b14-9-
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n/an/a 4.20E+3n/an/an/an/an/an/a



Ceptyr Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK-stimulating phosphatase-1 (JSP-1)

Bioorg Med Chem Lett 15: 3374-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.034
BindingDB Entry DOI: 10.7270/Q2NG4Q4B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50205428
PNG
(CHEMBL230471 | N3-butyl-N1-(2,3-di(furan-2-yl)quin...)
Show SMILES CCCCN(C)C(=O)C1CCCN(C1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1 |w:8.7|
Show InChI InChI=1S/C28H31N5O4/c1-3-4-13-32(2)27(34)19-8-5-14-33(18-19)28(35)29-20-11-12-21-22(17-20)31-26(24-10-7-16-37-24)25(30-21)23-9-6-15-36-23/h6-7,9-12,15-17,19H,3-5,8,13-14,18H2,1-2H3,(H,29,35)
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n/an/a 5.55E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant JSP1

Bioorg Med Chem Lett 17: 2118-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.094
BindingDB Entry DOI: 10.7270/Q2R49QFR
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50168876
PNG
(3-{4-Oxo-5-[1-phenyl-meth-(Z)-ylidene]-2-thioxo-th...)
Show SMILES OC(=O)c1cccc(c1)N1C(=S)S\C(=C/c2ccccc2)C1=O
Show InChI InChI=1S/C17H11NO3S2/c19-15-14(9-11-5-2-1-3-6-11)23-17(22)18(15)13-8-4-7-12(10-13)16(20)21/h1-10H,(H,20,21)/b14-9-
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n/an/a 7.00E+3n/an/an/an/an/an/a



Ceptyr Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK-stimulating phosphatase-1 (JSP-1)

Bioorg Med Chem Lett 15: 3374-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.034
BindingDB Entry DOI: 10.7270/Q2NG4Q4B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50168876
PNG
(3-{4-Oxo-5-[1-phenyl-meth-(Z)-ylidene]-2-thioxo-th...)
Show SMILES OC(=O)c1cccc(c1)N1C(=S)S\C(=C/c2ccccc2)C1=O
Show InChI InChI=1S/C17H11NO3S2/c19-15-14(9-11-5-2-1-3-6-11)23-17(22)18(15)13-8-4-7-12(10-13)16(20)21/h1-10H,(H,20,21)/b14-9-
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n/an/a 7.00E+3n/an/an/an/an/an/a



Ceptyr Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK-stimulating phosphatase-1 (JSP-1)

Bioorg Med Chem Lett 15: 3374-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.034
BindingDB Entry DOI: 10.7270/Q2NG4Q4B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50168893
PNG
(3-{5-[1-Cyclohexyl-meth-(Z)-ylidene]-4-oxo-2-thiox...)
Show SMILES OC(=O)c1cccc(c1)N1C(=S)S\C(=C/C2CCCCC2)C1=O
Show InChI InChI=1S/C17H17NO3S2/c19-15-14(9-11-5-2-1-3-6-11)23-17(22)18(15)13-8-4-7-12(10-13)16(20)21/h4,7-11H,1-3,5-6H2,(H,20,21)/b14-9-
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n/an/a 7.30E+3n/an/an/an/an/an/a



Ceptyr Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK-stimulating phosphatase-1 (JSP-1)

Bioorg Med Chem Lett 15: 3374-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.034
BindingDB Entry DOI: 10.7270/Q2NG4Q4B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50205429
PNG
(CHEMBL425838 | N3-tert-butyl-N1-(2,3-di(furan-2-yl...)
Show SMILES CC(C)(C)NC(=O)C1CCCN(C1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1 |w:7.6|
Show InChI InChI=1S/C27H29N5O4/c1-27(2,3)31-25(33)17-7-4-12-32(16-17)26(34)28-18-10-11-19-20(15-18)30-24(22-9-6-14-36-22)23(29-19)21-8-5-13-35-21/h5-6,8-11,13-15,17H,4,7,12,16H2,1-3H3,(H,28,34)(H,31,33)
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n/an/a 8.05E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant JSP1

Bioorg Med Chem Lett 17: 2118-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.094
BindingDB Entry DOI: 10.7270/Q2R49QFR
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50205427
PNG
(CHEMBL230681 | N1-(2,3-di(furan-2-yl)quinoxalin-6-...)
Show SMILES CC(C)CNC(=O)C1CCCN(C1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1 |w:7.6|
Show InChI InChI=1S/C27H29N5O4/c1-17(2)15-28-26(33)18-6-3-11-32(16-18)27(34)29-19-9-10-20-21(14-19)31-25(23-8-5-13-36-23)24(30-20)22-7-4-12-35-22/h4-5,7-10,12-14,17-18H,3,6,11,15-16H2,1-2H3,(H,28,33)(H,29,34)
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n/an/a 8.36E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant JSP1

Bioorg Med Chem Lett 17: 2118-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.094
BindingDB Entry DOI: 10.7270/Q2R49QFR
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50205432
PNG
(CHEMBL446453 | N-(2,3-di(furan-2-yl)quinoxalin-6-y...)
Show SMILES O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCCC(C1)C(=O)N1CCCCC1 |w:27.33|
Show InChI InChI=1S/C28H29N5O4/c34-27(32-12-2-1-3-13-32)19-7-4-14-33(18-19)28(35)29-20-10-11-21-22(17-20)31-26(24-9-6-16-37-24)25(30-21)23-8-5-15-36-23/h5-6,8-11,15-17,19H,1-4,7,12-14,18H2,(H,29,35)
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n/an/a 8.39E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant JSP1

Bioorg Med Chem Lett 17: 2118-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.094
BindingDB Entry DOI: 10.7270/Q2R49QFR
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM231167
PNG
(US9340574, 7)
Show SMILES COc1cc(CC(=O)NCC(NC(=O)C(CCCNC(=O)c2cccc(I)c2)NC(=O)C(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)NC(=O)c2ccc(C)c(Br)c2)C(N)=O)ccc1O
Show InChI InChI=1S/C42H45BrF2IN6O11P/c1-23-8-12-27(21-30(23)43)39(57)51-32(17-24-9-13-28(14-10-24)42(44,45)64(60,61)62)41(59)50-31(7-4-16-48-38(56)26-5-3-6-29(46)20-26)40(58)52-33(37(47)55)22-49-36(54)19-25-11-15-34(53)35(18-25)63-2/h3,5-6,8-15,18,20-21,31-33,53H,4,7,16-17,19,22H2,1-2H3,(H2,47,55)(H,48,56)(H,49,54)(H,50,59)(H,51,57)(H,52,58)(H2,60,61,62)
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US Patent
n/an/a>1.00E+4n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
PTP activity was assayed using p-nitrophenyl phosphate (pNPP) as a substrate in 3,3-dimethylglutarate buffer (50 mM 3,3-dimethylglutarate, pH 7.0, 1 ...

US Patent US9340574 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H4J
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50168894
PNG
((4-{4-Oxo-5-[1-phenyl-meth-(Z)-ylidene]-2-thioxo-t...)
Show SMILES OP(O)(=O)Cc1ccc(cc1)N1C(=S)SC(=Cc2ccccc2)C1=O |w:16.17|
Show InChI InChI=1S/C17H14NO4PS2/c19-16-15(10-12-4-2-1-3-5-12)25-17(24)18(16)14-8-6-13(7-9-14)11-23(20,21)22/h1-10H,11H2,(H2,20,21,22)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Ceptyr Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK-stimulating phosphatase-1 (JSP-1)

Bioorg Med Chem Lett 15: 3374-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.034
BindingDB Entry DOI: 10.7270/Q2NG4Q4B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50168886
PNG
(4-{4-Oxo-5-[1-phenyl-meth-(Z)-ylidene]-2-thioxo-th...)
Show SMILES OS(=O)(=O)c1ccc(cc1)N1C(=S)S\C(=C/c2ccccc2)C1=O
Show InChI InChI=1S/C16H11NO4S3/c18-15-14(10-11-4-2-1-3-5-11)23-16(22)17(15)12-6-8-13(9-7-12)24(19,20)21/h1-10H,(H,19,20,21)/b14-10-
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n/an/a 1.10E+4n/an/an/an/an/an/a



Ceptyr Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK-stimulating phosphatase-1 (JSP-1)

Bioorg Med Chem Lett 15: 3374-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.034
BindingDB Entry DOI: 10.7270/Q2NG4Q4B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50205425
PNG
(CHEMBL230842 | N1-(2,3-di(furan-2-yl)quinoxalin-6-...)
Show SMILES CCN(CC)C(=O)C1CCCN(C1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1 |w:7.6|
Show InChI InChI=1S/C27H29N5O4/c1-3-31(4-2)26(33)18-8-5-13-32(17-18)27(34)28-19-11-12-20-21(16-19)30-25(23-10-7-15-36-23)24(29-20)22-9-6-14-35-22/h6-7,9-12,14-16,18H,3-5,8,13,17H2,1-2H3,(H,28,34)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant JSP1

Bioorg Med Chem Lett 17: 2118-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.094
BindingDB Entry DOI: 10.7270/Q2R49QFR
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50168877
PNG
(2-Hydroxy-5-{4-oxo-5-[1-phenyl-meth-(Z)-ylidene]-2...)
Show SMILES OC(=O)c1cc(ccc1O)N1C(=S)S\C(=C/c2ccccc2)C1=O
Show InChI InChI=1S/C17H11NO4S2/c19-13-7-6-11(9-12(13)16(21)22)18-15(20)14(24-17(18)23)8-10-4-2-1-3-5-10/h1-9,19H,(H,21,22)/b14-8-
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n/an/a 1.30E+4n/an/an/an/an/an/a



Ceptyr Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK-stimulating phosphatase-1 (JSP-1)

Bioorg Med Chem Lett 15: 3374-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.034
BindingDB Entry DOI: 10.7270/Q2NG4Q4B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50168882
PNG
(2-Hydroxy-4-{4-oxo-5-[1-phenyl-meth-(Z)-ylidene]-2...)
Show SMILES OC(=O)c1ccc(cc1O)N1C(=S)S\C(=C/c2ccccc2)C1=O
Show InChI InChI=1S/C17H11NO4S2/c19-13-9-11(6-7-12(13)16(21)22)18-15(20)14(24-17(18)23)8-10-4-2-1-3-5-10/h1-9,19H,(H,21,22)/b14-8-
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n/an/a 1.30E+4n/an/an/an/an/an/a



Ceptyr Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK-stimulating phosphatase-1 (JSP-1)

Bioorg Med Chem Lett 15: 3374-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.034
BindingDB Entry DOI: 10.7270/Q2NG4Q4B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50168875
PNG
(3-{4-Oxo-2-thioxo-5-[1-p-tolyl-meth-(Z)-ylidene]-t...)
Show SMILES Cc1ccc(\C=C2/SC(=S)N(C2=O)c2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C18H13NO3S2/c1-11-5-7-12(8-6-11)9-15-16(20)19(18(23)24-15)14-4-2-3-13(10-14)17(21)22/h2-10H,1H3,(H,21,22)/b15-9-
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n/an/a 1.60E+4n/an/an/an/an/an/a



Ceptyr Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK-stimulating phosphatase-1 (JSP-1)

Bioorg Med Chem Lett 15: 3374-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.034
BindingDB Entry DOI: 10.7270/Q2NG4Q4B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50168881
PNG
(4-{4-Oxo-5-[1-phenyl-meth-(Z)-ylidene]-2-thioxo-th...)
Show SMILES OC(=O)c1ccc(cc1)N1C(=S)S\C(=C/c2ccccc2)C1=O
Show InChI InChI=1S/C17H11NO3S2/c19-15-14(10-11-4-2-1-3-5-11)23-17(22)18(15)13-8-6-12(7-9-13)16(20)21/h1-10H,(H,20,21)/b14-10-
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n/an/a 1.80E+4n/an/an/an/an/an/a



Ceptyr Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK-stimulating phosphatase-1 (JSP-1)

Bioorg Med Chem Lett 15: 3374-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.034
BindingDB Entry DOI: 10.7270/Q2NG4Q4B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50168883
PNG
((4-{4-Oxo-5-[1-phenyl-meth-(Z)-ylidene]-2-thioxo-t...)
Show SMILES OC(=O)Cc1ccc(cc1)N1C(=S)S\C(=C/c2ccccc2)C1=O
Show InChI InChI=1S/C18H13NO3S2/c20-16(21)11-13-6-8-14(9-7-13)19-17(22)15(24-18(19)23)10-12-4-2-1-3-5-12/h1-10H,11H2,(H,20,21)/b15-10-
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n/an/a 2.00E+4n/an/an/an/an/an/a



Ceptyr Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK-stimulating phosphatase-1 (JSP-1)

Bioorg Med Chem Lett 15: 3374-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.034
BindingDB Entry DOI: 10.7270/Q2NG4Q4B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50168878
PNG
((3-{4-Oxo-5-[1-phenyl-meth-(Z)-ylidene]-2-thioxo-t...)
Show SMILES OC(=O)Cc1cccc(c1)N1C(=S)S\C(=C/c2ccccc2)C1=O
Show InChI InChI=1S/C18H13NO3S2/c20-16(21)11-13-7-4-8-14(9-13)19-17(22)15(24-18(19)23)10-12-5-2-1-3-6-12/h1-10H,11H2,(H,20,21)/b15-10-
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n/an/a 2.00E+4n/an/an/an/an/an/a



Ceptyr Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK-stimulating phosphatase-1 (JSP-1)

Bioorg Med Chem Lett 15: 3374-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.034
BindingDB Entry DOI: 10.7270/Q2NG4Q4B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50168897
PNG
(3-{5-[1-(4-Methoxy-phenyl)-meth-(Z)-ylidene]-4-oxo...)
Show SMILES COc1ccc(\C=C2/SC(=S)N(C2=O)c2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C18H13NO4S2/c1-23-14-7-5-11(6-8-14)9-15-16(20)19(18(24)25-15)13-4-2-3-12(10-13)17(21)22/h2-10H,1H3,(H,21,22)/b15-9-
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n/an/a 2.60E+4n/an/an/an/an/an/a



Ceptyr Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK-stimulating phosphatase-1 (JSP-1)

Bioorg Med Chem Lett 15: 3374-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.034
BindingDB Entry DOI: 10.7270/Q2NG4Q4B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM82577
PNG
((4-fluoro-1,3-benzothiazol-2-yl)-[5-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)-c1nnc(Nc2nc3c(F)cccc3s2)o1
Show InChI InChI=1S/C16H11FN4O2S/c1-22-10-7-5-9(6-8-10)14-20-21-15(23-14)19-16-18-13-11(17)3-2-4-12(13)24-16/h2-8H,1H3,(H,18,19,21)
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n/an/a 2.60E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant VHX (unknown origin) using OMFP as substrate after 1 hr by fluorescence assay

Bioorg Med Chem 23: 2786-97 (2015)


Article DOI: 10.1016/j.bmc.2015.03.075
BindingDB Entry DOI: 10.7270/Q2BG2QQD
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50205440
PNG
(CHEMBL395085 | N1-(2,3-di(furan-2-yl)quinoxalin-6-...)
Show SMILES CN(C)C(=O)C1CCCN(C1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1 |w:5.4|
Show InChI InChI=1S/C25H25N5O4/c1-29(2)24(31)16-6-3-11-30(15-16)25(32)26-17-9-10-18-19(14-17)28-23(21-8-5-13-34-21)22(27-18)20-7-4-12-33-20/h4-5,7-10,12-14,16H,3,6,11,15H2,1-2H3,(H,26,32)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant JSP1

Bioorg Med Chem Lett 17: 2118-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.094
BindingDB Entry DOI: 10.7270/Q2R49QFR
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50205433
PNG
(CHEMBL230577 | N1-(2,3-di(furan-2-yl)quinoxalin-6-...)
Show SMILES CC(C)NC(=O)C1CCCN(C1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1 |w:6.5|
Show InChI InChI=1S/C26H27N5O4/c1-16(2)27-25(32)17-6-3-11-31(15-17)26(33)28-18-9-10-19-20(14-18)30-24(22-8-5-13-35-22)23(29-19)21-7-4-12-34-21/h4-5,7-10,12-14,16-17H,3,6,11,15H2,1-2H3,(H,27,32)(H,28,33)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant JSP1

Bioorg Med Chem Lett 17: 2118-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.094
BindingDB Entry DOI: 10.7270/Q2R49QFR
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50205435
PNG
(CHEMBL389107 | N-(2,3-diphenylquinoxalin-6-yl)-3-(...)
Show SMILES O=C(Nc1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccccc1)N1CCCC(C1)C(=O)N1CCCCC1 |w:29.35|
Show InChI InChI=1S/C32H33N5O2/c38-31(36-18-8-3-9-19-36)25-15-10-20-37(22-25)32(39)33-26-16-17-27-28(21-26)35-30(24-13-6-2-7-14-24)29(34-27)23-11-4-1-5-12-23/h1-2,4-7,11-14,16-17,21,25H,3,8-10,15,18-20,22H2,(H,33,39)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant JSP1

Bioorg Med Chem Lett 17: 2118-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.094
BindingDB Entry DOI: 10.7270/Q2R49QFR
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50205431
PNG
(CHEMBL230206 | N1-(2,3-diphenylquinoxalin-6-yl)-N3...)
Show SMILES CCN(CC)C(=O)C1CCCN(C1)C(=O)Nc1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccccc1 |w:7.6|
Show InChI InChI=1S/C31H33N5O2/c1-3-35(4-2)30(37)24-16-11-19-36(21-24)31(38)32-25-17-18-26-27(20-25)34-29(23-14-9-6-10-15-23)28(33-26)22-12-7-5-8-13-22/h5-10,12-15,17-18,20,24H,3-4,11,16,19,21H2,1-2H3,(H,32,38)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant JSP1

Bioorg Med Chem Lett 17: 2118-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.094
BindingDB Entry DOI: 10.7270/Q2R49QFR
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50205436
PNG
(CHEMBL230362 | N-(2,3-bis(4-bromophenyl)quinoxalin...)
Show SMILES Brc1ccc(cc1)-c1nc2ccc(NC(=O)N3CCCC(C3)C(=O)N3CCCC3)cc2nc1-c1ccc(Br)cc1 |w:20.23|
Show InChI InChI=1S/C31H29Br2N5O2/c32-23-9-5-20(6-10-23)28-29(21-7-11-24(33)12-8-21)36-27-18-25(13-14-26(27)35-28)34-31(40)38-17-3-4-22(19-38)30(39)37-15-1-2-16-37/h5-14,18,22H,1-4,15-17,19H2,(H,34,40)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant JSP1

Bioorg Med Chem Lett 17: 2118-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.094
BindingDB Entry DOI: 10.7270/Q2R49QFR
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50205434
PNG
(CHEMBL230207 | N1-(2,3-dip-tolylquinoxalin-6-yl)-N...)
Show SMILES CCN(CC)C(=O)C1CCCN(C1)C(=O)Nc1ccc2nc(-c3ccc(C)cc3)c(nc2c1)-c1ccc(C)cc1 |w:7.6|
Show InChI InChI=1S/C33H37N5O2/c1-5-37(6-2)32(39)26-8-7-19-38(21-26)33(40)34-27-17-18-28-29(20-27)36-31(25-15-11-23(4)12-16-25)30(35-28)24-13-9-22(3)10-14-24/h9-18,20,26H,5-8,19,21H2,1-4H3,(H,34,40)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant JSP1

Bioorg Med Chem Lett 17: 2118-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.094
BindingDB Entry DOI: 10.7270/Q2R49QFR
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50205421
PNG
(CHEMBL395086 | N1-(2,3-di(furan-2-yl)quinoxalin-6-...)
Show SMILES CCNC(=O)C1CCCN(C1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1 |w:5.4|
Show InChI InChI=1S/C25H25N5O4/c1-2-26-24(31)16-6-3-11-30(15-16)25(32)27-17-9-10-18-19(14-17)29-23(21-8-5-13-34-21)22(28-18)20-7-4-12-33-20/h4-5,7-10,12-14,16H,2-3,6,11,15H2,1H3,(H,26,31)(H,27,32)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant JSP1

Bioorg Med Chem Lett 17: 2118-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.094
BindingDB Entry DOI: 10.7270/Q2R49QFR
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50205423
PNG
(CHEMBL230093 | N3-cyclopentyl-N1-(2,3-dip-tolylqui...)
Show SMILES Cc1ccc(cc1)-c1nc2ccc(NC(=O)N3CCCC(C3)C(=O)NC3CCCC3)cc2nc1-c1ccc(C)cc1 |w:20.23|
Show InChI InChI=1S/C34H37N5O2/c1-22-9-13-24(14-10-22)31-32(25-15-11-23(2)12-16-25)38-30-20-28(17-18-29(30)37-31)36-34(41)39-19-5-6-26(21-39)33(40)35-27-7-3-4-8-27/h9-18,20,26-27H,3-8,19,21H2,1-2H3,(H,35,40)(H,36,41)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant JSP1

Bioorg Med Chem Lett 17: 2118-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.094
BindingDB Entry DOI: 10.7270/Q2R49QFR
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50205424
PNG
(CHEMBL230258 | N1-(2,3-bis(4-fluorophenyl)quinoxal...)
Show SMILES Fc1ccc(cc1)-c1nc2ccc(NC(=O)N3CCCC(C3)C(=O)NC3CCCCC3)cc2nc1-c1ccc(F)cc1 |w:20.23|
Show InChI InChI=1S/C33H33F2N5O2/c34-24-12-8-21(9-13-24)30-31(22-10-14-25(35)15-11-22)39-29-19-27(16-17-28(29)38-30)37-33(42)40-18-4-5-23(20-40)32(41)36-26-6-2-1-3-7-26/h8-17,19,23,26H,1-7,18,20H2,(H,36,41)(H,37,42)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant JSP1

Bioorg Med Chem Lett 17: 2118-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.094
BindingDB Entry DOI: 10.7270/Q2R49QFR
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50205437
PNG
(CHEMBL439875 | N1-(2,3-bis(4-fluorophenyl)quinoxal...)
Show SMILES CCN(CC)C(=O)C1CCCN(C1)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)c(nc2c1)-c1ccc(F)cc1 |w:7.6|
Show InChI InChI=1S/C31H31F2N5O2/c1-3-37(4-2)30(39)22-6-5-17-38(19-22)31(40)34-25-15-16-26-27(18-25)36-29(21-9-13-24(33)14-10-21)28(35-26)20-7-11-23(32)12-8-20/h7-16,18,22H,3-6,17,19H2,1-2H3,(H,34,40)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant JSP1

Bioorg Med Chem Lett 17: 2118-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.094
BindingDB Entry DOI: 10.7270/Q2R49QFR
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50205430
PNG
(CHEMBL397726 | N1-(2,3-bis(4-bromophenyl)quinoxali...)
Show SMILES CCN(CC)C(=O)C1CCCN(C1)C(=O)Nc1ccc2nc(-c3ccc(Br)cc3)c(nc2c1)-c1ccc(Br)cc1 |w:7.6|
Show InChI InChI=1S/C31H31Br2N5O2/c1-3-37(4-2)30(39)22-6-5-17-38(19-22)31(40)34-25-15-16-26-27(18-25)36-29(21-9-13-24(33)14-10-21)28(35-26)20-7-11-23(32)12-8-20/h7-16,18,22H,3-6,17,19H2,1-2H3,(H,34,40)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant JSP1

Bioorg Med Chem Lett 17: 2118-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.094
BindingDB Entry DOI: 10.7270/Q2R49QFR
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM84581
PNG
(Thioxothiazolidinone derivative, 1)
Show SMILES COc1cc(\C=C2/SC(=S)N(C2=O)c2cccc(Cl)c2)cc(c1O)N(=O)=O
Show InChI InChI=1S/C17H11ClN2O5S2/c1-25-13-6-9(5-12(15(13)21)20(23)24)7-14-16(22)19(17(26)27-14)11-4-2-3-10(18)8-11/h2-8,21H,1H3/b14-7-
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n/an/a>5.00E+4n/an/an/an/a6.025



McGill University



Assay Description
PTP assay were conducted at 25 C in 96-well plates. Reaction rates were determined using a Variokan plate reader from Thermo Electron. For assay pH...

Chembiochem 8: 179-86 (2007)


Article DOI: 10.1002/cbic.200600287
BindingDB Entry DOI: 10.7270/Q2T72FZ5
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50168873
PNG
(3-[4-Oxo-5-prop-(Z)-ylidene-2-thioxo-thiazolidin-3...)
Show SMILES CC\C=C1/SC(=S)N(C1=O)c1cccc(c1)C(O)=O
Show InChI InChI=1S/C13H11NO3S2/c1-2-4-10-11(15)14(13(18)19-10)9-6-3-5-8(7-9)12(16)17/h3-7H,2H2,1H3,(H,16,17)/b10-4-
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n/an/a 5.90E+4n/an/an/an/an/an/a



Ceptyr Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK-stimulating phosphatase-1 (JSP-1)

Bioorg Med Chem Lett 15: 3374-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.034
BindingDB Entry DOI: 10.7270/Q2NG4Q4B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50168887
PNG
(4-{4-Oxo-5-[1-phenyl-meth-(Z)-ylidene]-2-thioxo-th...)
Show SMILES OC(=O)c1ccc(CN2C(=S)S\C(=C/c3ccccc3)C2=O)cc1
Show InChI InChI=1S/C18H13NO3S2/c20-16-15(10-12-4-2-1-3-5-12)24-18(23)19(16)11-13-6-8-14(9-7-13)17(21)22/h1-10H,11H2,(H,21,22)/b15-10-
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n/an/a 6.00E+4n/an/an/an/an/an/a



Ceptyr Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK-stimulating phosphatase-1 (JSP-1)

Bioorg Med Chem Lett 15: 3374-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.034
BindingDB Entry DOI: 10.7270/Q2NG4Q4B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50168889
PNG
(3-Methyl-4-{4-oxo-5-[1-phenyl-meth-(Z)-ylidene]-2-...)
Show SMILES Cc1cc(ccc1N1C(=S)S\C(=C/c2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C18H13NO3S2/c1-11-9-13(17(21)22)7-8-14(11)19-16(20)15(24-18(19)23)10-12-5-3-2-4-6-12/h2-10H,1H3,(H,21,22)/b15-10-
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n/an/a 6.60E+4n/an/an/an/an/an/a



Ceptyr Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK-stimulating phosphatase-1 (JSP-1)

Bioorg Med Chem Lett 15: 3374-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.034
BindingDB Entry DOI: 10.7270/Q2NG4Q4B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50205420
PNG
(CHEMBL230363 | N-(2,3-dimethoxyquinoxalin-6-yl)-3-...)
Show SMILES COc1nc2ccc(NC(=O)N3CCCC(C3)C(=O)N3CCCCC3)cc2nc1OC |w:15.17|
Show InChI InChI=1S/C22H29N5O4/c1-30-19-20(31-2)25-18-13-16(8-9-17(18)24-19)23-22(29)27-12-6-7-15(14-27)21(28)26-10-4-3-5-11-26/h8-9,13,15H,3-7,10-12,14H2,1-2H3,(H,23,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant JSP1

Bioorg Med Chem Lett 17: 2118-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.094
BindingDB Entry DOI: 10.7270/Q2R49QFR
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50263036
PNG
(3-Hydroxy-6-methoxy-8,8-dimethyl-1-oxo-1,3,4,7,8,9...)
Show SMILES COc1c2CC(C)(C)Cc2c2C(=O)OC(O)Cc2c1C=O
Show InChI InChI=1S/C16H18O5/c1-16(2)5-9-10(6-16)14(20-3)11(7-17)8-4-12(18)21-15(19)13(8)9/h7,12,18H,4-6H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of LMWPTP (unknown origin) using DiFMUP as substrate incubated for 30 mins followed by substrate addition at pH 6.5 by standard phosphatas...

J Nat Prod 82: 3386-3393 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00663
BindingDB Entry DOI: 10.7270/Q25H7KRW
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50348092
PNG
(CHEMBL1800273)
Show SMILES Cc1cc(c(cc1-n1[nH]c(cc1=O)C(O)=O)S(O)(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C11H10N2O9S2/c1-5-2-8(23(17,18)19)9(24(20,21)22)4-7(5)13-10(14)3-6(12-13)11(15)16/h2-4,12H,1H3,(H,15,16)(H,17,18,19)(H,20,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of VHX

Bioorg Med Chem Lett 21: 4238-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.078
BindingDB Entry DOI: 10.7270/Q2JQ11CJ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 22


(Homo sapiens (Human))		BDBM50262987
PNG
(CHEMBL506661 | Illudalic acid)
Show SMILES CC1(C)Cc2c(C1)c1C(=O)OC(O)Cc1c(C=O)c2O
Show InChI InChI=1S/C15H16O5/c1-15(2)4-8-9(5-15)13(18)10(6-16)7-3-11(17)20-14(19)12(7)8/h6,11,17-18H,3-5H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of LMWPTP (unknown origin) using DiFMUP as substrate incubated for 30 mins followed by substrate addition at pH 6.5 by standard phosphatas...

J Nat Prod 82: 3386-3393 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00663
BindingDB Entry DOI: 10.7270/Q25H7KRW
More data for this
Ligand-Target Pair
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