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Compile Data Set for Download or QSAR

Found 118 hits Enz. Inhib. hit(s) with all data for entry = 3908   
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
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM32102
PNG
(1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,...)
Show SMILES Cn1ncnc2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
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n/an/a 98n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM31044
PNG
(1-Ethyl-6-methyl-3-thiophen-2-yl-1H-pyrimido[5,4-e...)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1
Show InChI InChI=1S/C12H11N5O2S/c1-3-17-10-8(11(18)16(2)12(19)14-10)13-9(15-17)7-5-4-6-20-7/h4-6H,3H2,1-2H3
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n/an/a 103n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM31040
PNG
(1-Ethyl-6-methyl-3-phenyl-1H-pyrimido[5,4-e][1,2,4...)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
Show InChI InChI=1S/C14H13N5O2/c1-3-19-12-10(13(20)18(2)14(21)16-12)15-11(17-19)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
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n/an/a 106n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM32061
PNG
(1,8-bis(azanyl)-3,6-dipyrrolidin-1-yl-2,7-naphthyr...)
Show SMILES Nc1nc(cc2c(C#N)c(nc(N)c12)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C17H21N7/c18-10-12-11-9-13(23-5-1-2-6-23)21-15(19)14(11)16(20)22-17(12)24-7-3-4-8-24/h9H,1-8H2,(H2,19,21)(H2,20,22)
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n/an/a 189n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM34163
PNG
(3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-th...)
Show SMILES Nc1sc(=S)c2CN(Cc3ccccc3)CCc2c1C#N
Show InChI InChI=1S/C16H15N3S2/c17-8-13-12-6-7-19(9-11-4-2-1-3-5-11)10-14(12)16(20)21-15(13)18/h1-5H,6-7,9-10,18H2
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n/an/a 392n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM32133
PNG
(2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C |(9.99,-2.67,;11.14,-1.64,;10.98,-.11,;9.64,.66,;8.1,.66,;7.2,1.9,;7.68,3.37,;5.75,1.43,;4.41,2.2,;3.08,1.43,;3.08,-.11,;4.41,-.88,;5.75,-.11,;7.2,-.58,;7.68,-2.04,;12.38,.52,;12.7,2.03,;13.41,-.63,;14.95,-.46,;15.57,.94,;17.1,1.1,;18.01,-.14,;17.38,-1.55,;15.85,-1.71,;12.64,-1.96,;13.27,-3.37,)|
Show InChI InChI=1S/C20H15N3O3/c1-12-16(20(26)23(22(12)2)13-8-4-3-5-9-13)21-17-18(24)14-10-6-7-11-15(14)19(17)25/h3-11H,1-2H3
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n/an/a 765n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM22851
PNG
(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Show SMILES O=C1C=Cc2ccccc2C1=O |c:2|
Show InChI InChI=1S/C10H6O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H
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n/an/a 1.83E+3n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35431
PNG
(MLS000106874 | SMR000111250 | cid_774975)
Show SMILES COc1ccc2noc3-c4ccccc4C(=O)c1c23
Show InChI InChI=1S/C15H9NO3/c1-18-11-7-6-10-12-13(11)14(17)8-4-2-3-5-9(8)15(12)19-16-10/h2-7H,1H3
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n/an/a 2.12E+3n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM32085
PNG
(MLS000085603 | N-(2-hydroxy-1,3-diketo-indan-2-yl)...)
Show SMILES OC1(NC(=O)c2ccccc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H11NO4/c18-13-11-8-4-5-9-12(11)14(19)16(13,21)17-15(20)10-6-2-1-3-7-10/h1-9,21H,(H,17,20)
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n/an/a 4.81E+3n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35362
PNG
(5-bromanyl-N-(3-cyano-1-phenyl-pyrrolo[3,2-b]quino...)
Show SMILES Brc1ccc(o1)C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccccc1
Show InChI InChI=1S/C22H12BrN5O2/c23-18-11-10-17(30-18)22(29)27-20-14(12-24)19-21(28(20)13-6-2-1-3-7-13)26-16-9-5-4-8-15(16)25-19/h1-11H,(H,27,29)
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n/an/a 7.02E+3n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35371
PNG
((7-chloro-5-pyrrolidino-benzofurazan-4-yl)amine | ...)
Show SMILES Nc1c(cc(Cl)c2nonc12)N1CCCC1
Show InChI InChI=1S/C10H11ClN4O/c11-6-5-7(15-3-1-2-4-15)8(12)10-9(6)13-16-14-10/h5H,1-4,12H2
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n/an/a 8.04E+3n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM30725
PNG
(MLS000079925 | N-[3-cyano-1-(4-methoxyphenyl)-2-py...)
Show SMILES COc1ccc(cc1)-n1c(NC(=O)c2ccco2)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C23H15N5O3/c1-30-15-10-8-14(9-11-15)28-21(27-23(29)19-7-4-12-31-19)16(13-24)20-22(28)26-18-6-3-2-5-17(18)25-20/h2-12H,1H3,(H,27,29)
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n/an/a 8.31E+3n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35380
PNG
(MLS000096457 | N-phenyl-1-(4-pyridyl)methanimine o...)
Show SMILES [O-]\[N+](=C/c1ccncc1)c1ccccc1
Show InChI InChI=1S/C12H10N2O/c15-14(12-4-2-1-3-5-12)10-11-6-8-13-9-7-11/h1-10H/b14-10-
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n/an/a 1.02E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35433
PNG
(MLS000106837 | SMR000111213 | cid_672470)
Show SMILES CCOc1ccc2noc3-c4ccccc4C(=O)c1c23
Show InChI InChI=1S/C16H11NO3/c1-2-19-12-8-7-11-13-14(12)15(18)9-5-3-4-6-10(9)16(13)20-17-11/h3-8H,2H2,1H3
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n/an/a 1.13E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM32096
PNG
((6-phenyl-4,5-dihydropyrazolo[4,3-e][1,3]benzothia...)
Show SMILES Nc1nc-2c(CCc3c-2cnn3-c2ccccc2)s1
Show InChI InChI=1S/C14H12N4S/c15-14-17-13-10-8-16-18(9-4-2-1-3-5-9)11(10)6-7-12(13)19-14/h1-5,8H,6-7H2,(H2,15,17)
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n/an/a 1.45E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35436
PNG
(1-[4-(difluoromethoxy)phenyl]-N-phenyl-methanimine...)
Show SMILES [O-]\[N+](=C/c1ccc(OC(F)F)cc1)c1ccccc1
Show InChI InChI=1S/C14H11F2NO2/c15-14(16)19-13-8-6-11(7-9-13)10-17(18)12-4-2-1-3-5-12/h1-10,14H/b17-10-
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n/an/a 1.48E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35435
PNG
(6-hydroxy-4-phenyl-3,4-dihydro-2H-1-benzopyran-2-o...)
Show SMILES Oc1ccc2OC(=O)CC(c3ccccc3)c2c1
Show InChI InChI=1S/C15H12O3/c16-11-6-7-14-13(8-11)12(9-15(17)18-14)10-4-2-1-3-5-10/h1-8,12,16H,9H2
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n/an/a 1.76E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM32004
PNG
(2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-di...)
Show SMILES O=[#6]-1\[#6](-[#7]-c2ccccc-12)=[#6]-1/[#6](=O)-c2ccccc2-[#6]-1=O
Show InChI InChI=1S/C17H9NO3/c19-15-9-5-1-2-6-10(9)16(20)13(15)14-17(21)11-7-3-4-8-12(11)18-14/h1-8,18H
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n/an/a 1.83E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM32050
PNG
(MLS000080844 | SMR000044769 | cid_663844)
Show SMILES O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
Show InChI InChI=1S/C20H16N4O2/c25-19-13-4-1-2-5-14(13)20-18-16(23-26-20)7-6-15(17(18)19)22-8-3-10-24-11-9-21-12-24/h1-2,4-7,9,11-12,22H,3,8,10H2
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n/an/a 2.02E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35388
PNG
((E)-(4-fluorobenzylidene)(phenyl)azane oxide | 1-(...)
Show SMILES [O-]\[N+](=C\c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C13H10FNO/c14-12-8-6-11(7-9-12)10-15(16)13-4-2-1-3-5-13/h1-10H/b15-10+
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n/an/a 2.06E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM31700
PNG
((5Z)-5-(5-bromo-2-methoxybenzylidene)-2-(2-furyl)[...)
Show SMILES COc1ccc(Br)cc1C=c1sc2nc(nn2c1=O)-c1ccco1
Show InChI InChI=1S/C16H10BrN3O3S/c1-22-11-5-4-10(17)7-9(11)8-13-15(21)20-16(24-13)18-14(19-20)12-3-2-6-23-12/h2-8H,1H3
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n/an/a 2.15E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35370
PNG
(MLS000040594 | SMR000045627 | cid_664626)
Show SMILES [H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C2=O)c1ccc(F)c(Cl)c1)C(C)=O |c:4|
Show InChI InChI=1S/C22H16ClFN2O3/c1-11(27)19-17-18(20-14-5-3-2-4-12(14)8-9-25(19)20)22(29)26(21(17)28)13-6-7-16(24)15(23)10-13/h2-10,17-20H,1H3/t17-,18+,19-,20?/m1/s1
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n/an/a 2.46E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35407
PNG
(8-(cyclohexoxycarbonyl)-3a,4,5,9b-tetrahydro-3H-cy...)
Show SMILES OC(=O)C1Nc2ccc(cc2C2C=CCC12)C(=O)OC1CCCCC1 |c:13|
Show InChI InChI=1S/C20H23NO4/c22-19(23)18-15-8-4-7-14(15)16-11-12(9-10-17(16)21-18)20(24)25-13-5-2-1-3-6-13/h4,7,9-11,13-15,18,21H,1-3,5-6,8H2,(H,22,23)
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n/an/a 2.59E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35432
PNG
(3-[(3,4-dichlorobenzyl)amino]cyclopent-2-en-1-one ...)
Show SMILES Clc1ccc(CNC2=CC(=O)CC2)cc1Cl |t:7|
Show InChI InChI=1S/C12H11Cl2NO/c13-11-4-1-8(5-12(11)14)7-15-9-2-3-10(16)6-9/h1,4-6,15H,2-3,7H2
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n/an/a 2.76E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35368
PNG
(2-amino-N-butyl-1-(3-methoxypropyl)-3-pyrrolo[3,2-...)
Show SMILES CCCCNC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12
Show InChI InChI=1S/C19H25N5O2/c1-3-4-10-21-19(25)15-16-18(24(17(15)20)11-7-12-26-2)23-14-9-6-5-8-13(14)22-16/h5-6,8-9H,3-4,7,10-12,20H2,1-2H3,(H,21,25)
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n/an/a 2.79E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM33046
PNG
(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Show SMILES Cc1ccc(\C=C\C2=Cc3c(sc(NC(=O)CSc4nnc(N)[nH]4)c3C#N)C(C)(C)C2)o1 |t:7|
Show InChI InChI=1S/C22H22N6O2S2/c1-12-4-6-14(30-12)7-5-13-8-15-16(10-23)19(32-18(15)22(2,3)9-13)25-17(29)11-31-21-26-20(24)27-28-21/h4-8H,9,11H2,1-3H3,(H,25,29)(H3,24,26,27,28)/b7-5+
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n/an/a 2.84E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM34592
PNG
(5,6-bis(azanyl)-3-tert-butyl-8-[2-(hydroxymethyl)p...)
Show SMILES CC(C)(C)N1C(=O)Cc2c1nc(N)c1c(N)nc(N3CCCCC3CO)c(C#N)c21
Show InChI InChI=1S/C21H27N7O2/c1-21(2,3)28-14(30)8-12-15-13(9-22)19(27-7-5-4-6-11(27)10-29)25-17(23)16(15)18(24)26-20(12)28/h11,29H,4-8,10H2,1-3H3,(H2,23,25)(H2,24,26)
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n/an/a 2.94E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM30768
PNG
(2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...)
Show SMILES COCCCn1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc12
Show InChI InChI=1S/C20H27N5O2/c1-13(2)9-10-22-20(26)16-17-19(25(18(16)21)11-6-12-27-3)24-15-8-5-4-7-14(15)23-17/h4-5,7-8,13H,6,9-12,21H2,1-3H3,(H,22,26)
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n/an/a 3.75E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM31752
PNG
(Icosa‐5,8,11,14‐tetraynoic acid (D3) |...)
Show SMILES CCCCCC#CCC#CCC#CCC#CCCCC(O)=O
Show InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)
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n/an/a 3.83E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM34287
PNG
(MLS000082957 | SMR000046944 | cid_665737)
Show SMILES CC(C)Sc1nc2sc3CCCCc3c2c2nnc(SCC(=O)NCc3ccco3)n12
Show InChI InChI=1S/C21H23N5O2S3/c1-12(2)30-20-23-19-17(14-7-3-4-8-15(14)31-19)18-24-25-21(26(18)20)29-11-16(27)22-10-13-6-5-9-28-13/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,22,27)
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n/an/a 4.16E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35364
PNG
(MLS000079944 | SMR000040944 | cid_659878)
Show SMILES COc1ccc(Cn2c(C)nc3n(Cc4ccco4)c4nc5ccccc5nc4c3c2=O)cc1
Show InChI InChI=1S/C26H21N5O3/c1-16-27-24-22(26(32)30(16)14-17-9-11-18(33-2)12-10-17)23-25(31(24)15-19-6-5-13-34-19)29-21-8-4-3-7-20(21)28-23/h3-13H,14-15H2,1-2H3
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n/an/a 4.43E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35400
PNG
(3-amino-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)...)
Show SMILES CCCSc1nnc(NC(=O)c2sc3nc(ccc3c2N)-c2cccs2)s1
Show InChI InChI=1S/C17H15N5OS4/c1-2-7-25-17-22-21-16(27-17)20-14(23)13-12(18)9-5-6-10(19-15(9)26-13)11-4-3-8-24-11/h3-6,8H,2,7,18H2,1H3,(H,20,21,23)
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n/an/a 4.45E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35354
PNG
(4-N-(2-methylcyclohexyl)-1-N-(pyridin-4-ylmethyl)b...)
Show SMILES CC1CCCCC1NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCc1ccncc1
Show InChI InChI=1S/C19H25N3O4S2/c1-15-4-2-3-5-19(15)22-28(25,26)18-8-6-17(7-9-18)27(23,24)21-14-16-10-12-20-13-11-16/h6-13,15,19,21-22H,2-5,14H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35356
PNG
(MLS000071837 | N-(2,3-Dihydro-benzo[1,4]dioxin-6-y...)
Show SMILES COc1ccc(c(OC)c1)-n1nnnc1SCC(=O)Nc1ccc2OCCOc2c1
Show InChI InChI=1S/C19H19N5O5S/c1-26-13-4-5-14(16(10-13)27-2)24-19(21-22-23-24)30-11-18(25)20-12-3-6-15-17(9-12)29-8-7-28-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35357
PNG
(MLS000033335 | N-Butyl-2-(5-furan-2-yl-4-methyl-4H...)
Show SMILES CCCCNC(=O)CSc1nnc(-c2ccco2)n1C
Show InChI InChI=1S/C13H18N4O2S/c1-3-4-7-14-11(18)9-20-13-16-15-12(17(13)2)10-6-5-8-19-10/h5-6,8H,3-4,7,9H2,1-2H3,(H,14,18)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35358
PNG
(1-[1-(4-Methoxy-benzenesulfonyl)-piperidin-4-yl]-3...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C20H25N3O4S/c1-15-3-5-16(6-4-15)21-20(24)22-17-11-13-23(14-12-17)28(25,26)19-9-7-18(27-2)8-10-19/h3-10,17H,11-14H2,1-2H3,(H2,21,22,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35359
PNG
(2-(7-Ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahyd...)
Show SMILES CCn1c(SCC(=O)Nc2nc3ccc(OC)cc3s2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C19H20N6O4S2/c1-5-25-14-15(23(2)19(28)24(3)16(14)27)22-18(25)30-9-13(26)21-17-20-11-7-6-10(29-4)8-12(11)31-17/h6-8H,5,9H2,1-4H3,(H,20,21,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2 |c:2,TLB:12:13:16:21.22.19.20,THB:23:21:13.14.18:16,23:13:16:21.22.19.20,19:17:14:21.23.22,20:21:14:17.18.16|
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM32030
PNG
(2-chloranyl-N-(3-cyano-1-prop-2-enyl-pyrrolo[3,2-b...)
Show SMILES Clc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1CC=C
Show InChI InChI=1S/C21H14ClN5O/c1-2-11-27-19(26-21(28)13-7-3-4-8-15(13)22)14(12-23)18-20(27)25-17-10-6-5-9-16(17)24-18/h2-10H,1,11H2,(H,26,28)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35363
PNG
((2-butoxyphenyl)-(diphenylphosphorylmethyl)phosphi...)
Show SMILES CCCCOc1ccccc1P(O)(=O)CP(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H26O4P2/c1-2-3-18-27-22-16-10-11-17-23(22)29(25,26)19-28(24,20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-17H,2-3,18-19H2,1H3,(H,25,26)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35365
PNG
(3-keto-4-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-...)
Show SMILES CCOC(=O)CC(=O)CSc1nnc2sc3ccccc3n12
Show InChI InChI=1S/C14H13N3O3S2/c1-2-20-12(19)7-9(18)8-21-13-15-16-14-17(13)10-5-3-4-6-11(10)22-14/h3-6H,2,7-8H2,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35367
PNG
((6-methyl-2,5-dihydropyrazolo[1,5-b][1,2,4]thiadia...)
Show SMILES Cc1cc2NC(Nc3ccccc3)Sn2n1
Show InChI InChI=1S/C11H12N4S/c1-8-7-10-13-11(16-15(10)14-8)12-9-5-3-2-4-6-9/h2-7,11-13H,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35369
PNG
(3,5-bis(bromanyl)-2-methoxy-N-(2-propyl-1,2,3,4-te...)
Show SMILES CCCn1nnc(NC(=O)c2cc(Br)cc(Br)c2OC)n1
Show InChI InChI=1S/C12H13Br2N5O2/c1-3-4-19-17-12(16-18-19)15-11(20)8-5-7(13)6-9(14)10(8)21-2/h5-6H,3-4H2,1-2H3,(H,15,17,20)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM32047
PNG
((5-amino-6-quinolyl)amine | MLS000036429 | SMR0000...)
Show SMILES Nc1ccc2ncccc2c1N
Show InChI InChI=1S/C9H9N3/c10-7-3-4-8-6(9(7)11)2-1-5-12-8/h1-5H,10-11H2
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35372
PNG
(1-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-[(5...)
Show SMILES Cc1cc(C)n2c(SCC(=O)N3CCN(CC3)S(=O)(=O)c3ccc(Cl)cc3)nnc2n1
Show InChI InChI=1S/C19H21ClN6O3S2/c1-13-11-14(2)26-18(21-13)22-23-19(26)30-12-17(27)24-7-9-25(10-8-24)31(28,29)16-5-3-15(20)4-6-16/h3-6,11H,7-10,12H2,1-2H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35373
PNG
(1-butyl-2-[2-(2,4-dimethoxyphenyl)-2-oxidanylidene...)
Show SMILES CCCCn1c(SCC(=O)c2ccc(OC)cc2OC)nc2cc(ccc12)S(N)(=O)=O
Show InChI InChI=1S/C21H25N3O5S2/c1-4-5-10-24-18-9-7-15(31(22,26)27)12-17(18)23-21(24)30-13-19(25)16-8-6-14(28-2)11-20(16)29-3/h6-9,11-12H,4-5,10,13H2,1-3H3,(H2,22,26,27)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM32062
PNG
(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H19N5O/c1-2-3-13-27-20(26-22(28)15-9-5-4-6-10-15)16(14-23)19-21(27)25-18-12-8-7-11-17(18)24-19/h4-12H,2-3,13H2,1H3,(H,26,28)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35374
PNG
(4-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]t...)
Show SMILES O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)C(C#N)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H24N6OS2/c25-14-18(23-26-19-10-4-5-11-20(19)27-23)21(31)15-33-24-29-28-22(13-17-9-6-12-32-17)30(24)16-7-2-1-3-8-16/h4-6,9-12,16,18H,1-3,7-8,13,15H2,(H,26,27)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35377
PNG
(MLS000081820 | N-[4-(4-methylphenyl)-1,3-thiazol-2...)
Show SMILES Cc1ccc(cc1)-c1csc(NC(=O)c2ccno2)n1
Show InChI InChI=1S/C14H11N3O2S/c1-9-2-4-10(5-3-9)11-8-20-14(16-11)17-13(18)12-6-7-15-19-12/h2-8H,1H3,(H,16,17,18)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
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