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Compile Data Set for Download or QSAR

Found 65 hits Enz. Inhib. hit(s) with Target = 'Dual specificity protein phosphatase 2' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Dual specificity protein phosphatase VHX (VHX)


(Homo sapiens (Human))
BDBM199180
PNG
(US9217012, 10)
Show SMILES CCc1ccc(cc1)C(=O)NCCCCC(NC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)C(Cc1ccccc1)NC(=O)COC1CC(C)CCC1C(C)C)C(N)=O
Show InChI InChI=1/C46H62F2N5O9P/c1-5-31-15-19-34(20-16-31)43(56)50-24-10-9-13-37(42(49)55)52-45(58)39(27-33-17-21-35(22-18-33)46(47,48)63(59,60)61)53-44(57)38(26-32-11-7-6-8-12-32)51-41(54)28-62-40-25-30(4)14-23-36(40)29(2)3/h6-8,11-12,15-22,29-30,36-40H,5,9-10,13-14,23-28H2,1-4H3,(H2,49,55)(H,50,56)(H,51,54)(H,52,58)(H,53,57)(H2,59,60,61)
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US Patent
>1.00E+3n/an/an/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
PTP activity was assayed using p-nitrophenyl phosphate (pNPP) as a substrate in DMG buffer (50 mM DMG, pH 7.0, 1 mM EDTA, 150 mM NaCl, 2 mM DTT, 0.1 ...


US Patent US9217012 (2015)

More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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)


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 23


(Homo sapiens)
BDBM50054344
PNG
(CHEMBL3319356)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of VHZ (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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)


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 23


(Homo sapiens)
BDBM50436358
PNG
(CHEMBL2396718)
Show SMILES CCCNC(=O)COc1ccc(cc1)-c1oc2cc(O)c(cc2c1C#Cc1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C28H22ClNO6/c1-2-12-30-26(32)16-35-20-9-7-18(8-10-20)27-21(11-6-17-4-3-5-19(29)13-17)22-14-23(28(33)34)24(31)15-25(22)36-27/h3-5,7-10,13-15,31H,2,12,16H2,1H3,(H,30,32)(H,33,34)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant VHZ (unknown origin) using pNPP as substrate by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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)


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 23


(Homo sapiens)
BDBM50436357
PNG
(CHEMBL2396719)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NC2CC2)cc1
Show InChI InChI=1S/C28H20ClNO6/c29-18-3-1-2-16(12-18)4-11-21-22-13-23(28(33)34)24(31)14-25(22)36-27(21)17-5-9-20(10-6-17)35-15-26(32)30-19-7-8-19/h1-3,5-6,9-10,12-14,19,31H,7-8,15H2,(H,30,32)(H,33,34)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant VHZ (unknown origin) using pNPP as substrate by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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)


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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)


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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)


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 2


(Homo sapiens)
BDBM50360601
PNG
(CHEMBL1933349)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-12-11-31(38)39)37-30(18-29(36-37)25-14-26(33)17-27(34)15-25)24-8-7-23-16-28(41-2)10-9-22(23)13-24/h3-10,13-19H,11-12H2,1-2H3,(H,35,40)(H,38,39)/t19-/m0/s1
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n/an/a 9.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human PAC1 expressed in mouse HIN 3T3 cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 m...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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
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)


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(Homo sapiens (Human))
BDBM231167
PNG
(US9340574, 7)
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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)


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 23


(Homo sapiens)
BDBM50087856
PNG
(CHEMBL3426913)
Show SMILES CCCCC(Oc1cc(O)c(cc1C#Cc1ccccc1OC(F)(F)F)C(O)=O)C(=O)NC1CCCCC1
Show InChI InChI=1/C28H30F3NO6/c1-2-3-12-24(26(34)32-20-10-5-4-6-11-20)37-25-17-22(33)21(27(35)36)16-19(25)15-14-18-9-7-8-13-23(18)38-28(29,30)31/h7-9,13,16-17,20,24,33H,2-6,10-12H2,1H3,(H,32,34)(H,35,36)
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n/an/a 1.14E+4n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of VHZ (unknown origin) using pNPP as substrate at pH 7 at 25 degC by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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)


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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)


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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)


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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)


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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)


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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)


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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)


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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
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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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant JSP1


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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
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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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant JSP1


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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
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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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant JSP1


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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)


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(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)


Citation and Details
More data for this
Ligand-Target Pair
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