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Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with Target = 'Dual specificity protein phosphatase 1' AND taxid = 10090   
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 1


(Mus musculus)
BDBM50099736
PNG
(4-Ethoxy-[1,2]naphthoquinone | 4-ethoxynaphthalene...)
Show SMILES CCOC1=CC(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C12H10O3/c1-2-15-11-7-10(13)12(14)9-6-4-3-5-8(9)11/h3-7H,2H2,1H3
PDB
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PubMed
n/an/a 820n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cells


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Mus musculus)
BDBM50267086
PNG
(Adociaquinone B | CHEMBL476648)
Show SMILES C[C@@]12CCCc3coc(c13)C(=O)c1cc3C(=O)C4=NCCS(=O)(=O)C4C(=O)c3cc21
Show InChI InChI=1S/C22H17NO6S/c1-22-4-2-3-10-9-29-20(15(10)22)18(25)13-7-11-12(8-14(13)22)19(26)21-16(17(11)24)23-5-6-30(21,27)28/h7-9,21H,2-6H2,1H3/t21?,22-/m0/s1
PDB
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PC sid
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PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cells


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Mus musculus)
BDBM24776
PNG
(1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...)
Show SMILES O=C1C=CC(=O)c2ccccc12
Show InChI InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
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PubMed
n/an/a 8.45E+3n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cells


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Mus musculus)
BDBM50060898
PNG
(5,8-Dihydroxy-[1,4]naphthoquinone | 5,8-dihydroxy-...)
Show SMILES Oc1ccc(O)c2C(=O)C=CC(=O)c12
Show InChI InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H
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PubMed
n/an/a 9.37E+3n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cells


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Mus musculus)
BDBM24777
PNG
(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | 5-hyd...)
Show SMILES Oc1cccc2C(=O)C=CC(=O)c12
Show InChI InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
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PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cells


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Mus musculus)
BDBM50267115
PNG
(1,1-Dioxo-1,2,3,4-tetrahydro-1lambda*6*-naphtho[2,...)
Show SMILES O=C1C2C(=NCCS2(=O)=O)C(=O)c2ccccc12
Show InChI InChI=1S/C12H9NO4S/c14-10-7-3-1-2-4-8(7)11(15)12-9(10)13-5-6-18(12,16)17/h1-4,12H,5-6H2
PDB
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PubMed
n/an/a 1.78E+4n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cells


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Mus musculus)
BDBM50267087
PNG
(5,6,7,8-tetrahydroanthracene-1,4-dione | CHEMBL508...)
Show SMILES O=C1C=CC(=O)c2cc3CCCCc3cc12
Show InChI InChI=1S/C14H12O2/c15-13-5-6-14(16)12-8-10-4-2-1-3-9(10)7-11(12)13/h5-8H,1-4H2
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PubMed
n/an/a 2.18E+4n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cells


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Mus musculus)
BDBM24778
PNG
(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Show SMILES CC1=CC(=O)c2ccccc2C1=O
Show InChI InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
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PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cells


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Mus musculus)
BDBM50267116
PNG
(9-Hydroxy-1,1-dioxo-1,2,3,4-tetrahydro-1lambda6-na...)
Show SMILES Oc1cccc2C(=O)C3=NCCS(=O)(=O)C3C(=O)c12
Show InChI InChI=1S/C12H9NO5S/c14-7-3-1-2-6-8(7)11(16)12-9(10(6)15)13-4-5-19(12,17)18/h1-3,12,14H,4-5H2
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PubMed
n/an/a 3.38E+4n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cells


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Mus musculus)
BDBM50267114
PNG
(1,1-Dioxo-1,2,3,4,7,8,9,10-octahydro-1lambda6-thia...)
Show SMILES O=C1C2C(=NCCS2(=O)=O)C(=O)c2cc3CCCCc3cc12
Show InChI InChI=1S/C16H15NO4S/c18-14-11-7-9-3-1-2-4-10(9)8-12(11)15(19)16-13(14)17-5-6-22(16,20)21/h7-8,16H,1-6H2
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PubMed
n/an/a 3.87E+4n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cells


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Mus musculus)
BDBM50267088
PNG
(4,5,6,7-tetrahydroanthra[2,3-b]oxirene-2,9(1aH,9aH...)
Show SMILES Oc1c2Oc2c(O)c2cc3CCCCc3cc12
Show InChI InChI=1S/C14H12O3/c15-11-9-5-7-3-1-2-4-8(7)6-10(9)12(16)14-13(11)17-14/h5-6,15-16H,1-4H2
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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cells


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Mus musculus)
BDBM22774
PNG
(1,4-Benzoquinone | Benzil-related compound, 53 | C...)
Show SMILES O=C1C=CC(=O)C=C1
Show InChI InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
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n/an/a>5.00E+4n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cells


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Mus musculus)
BDBM50094892
PNG
(9,10-anthraquinone | 9,10-quinone | Az-Q | CHEMBL5...)
Show SMILES O=C1c2ccccc2C(=O)c2ccccc12
Show InChI InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cells


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Mus musculus)
BDBM50267170
PNG
(2-(2-hydroxyethylamino)naphthalene-1,4-dione | CHE...)
Show SMILES Oc1cc(NCC=O)c(O)c2ccccc12
Show InChI InChI=1S/C12H11NO3/c14-6-5-13-10-7-11(15)8-3-1-2-4-9(8)12(10)16/h1-4,6-7,13,15-16H,5H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cells


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Mus musculus)
BDBM50267171
PNG
(2-(2-hydroxyethylamino)-3-methylnaphthalene-1,4-di...)
Show SMILES Cc1c(O)c2ccccc2c(O)c1NCC=O
Show InChI InChI=1S/C13H13NO3/c1-8-11(14-6-7-15)13(17)10-5-3-2-4-9(10)12(8)16/h2-5,7,14,16-17H,6H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cells


Citation and Details
More data for this
Ligand-Target Pair