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PubChem AID 551

Compile data set for download or QSAR
Found 118 hits of Enzyme Inhibition Constant Data   
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 1


(Homo sapiens)
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 136n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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 158n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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 184n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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 197n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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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PCBioAssay
n/an/a 1.13E+3n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35361
PNG
((5-oxidanidyl-4-thiophen-2-ylcarbonyl-1,2,5-oxadia...)
Show SMILES [O-]n1[o+]nc(C(=O)c2cccs2)c1C(=O)c1cccs1
Show InChI InChI=1S/C12H6N2O4S2/c15-11(7-3-1-5-19-7)9-10(14(17)18-13-9)12(16)8-4-2-6-20-8/h1-6H
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n/an/a 3.49E+3n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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 4.50E+3n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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 6.53E+3n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35407
PNG
(8-(cyclohexoxycarbonyl)-3a,4,5,9b-tetrahydro-3H-cy...)
Show SMILES OC(=O)C1Nc2ccc(cc2C2C=CCC12)C(=O)OC1CCCCC1
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 7.66E+3n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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
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 8.85E+3n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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
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 9.38E+3n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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 1.04E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35419
PNG
(MLS000050867 | N-(9-ethyl-3-carbazolyl)-2-[[4-ethy...)
Show SMILES CCn1c(SCC(=O)Nc2ccc3n(CC)c4ccccc4c3c2)nnc1-c1ccco1
Show InChI InChI=1S/C24H23N5O2S/c1-3-28-19-9-6-5-8-17(19)18-14-16(11-12-20(18)28)25-22(30)15-32-24-27-26-23(29(24)4-2)21-10-7-13-31-21/h5-14H,3-4,15H2,1-2H3,(H,25,30)
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PCBioAssay
n/an/a 1.14E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM31703
PNG
(3-(2,5-dimethyl-1-pyrrolyl)benzoic acid | 3-(2,5-d...)
Show SMILES Cc1ccc(C)n1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C13H13NO2/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16/h3-8H,1-2H3,(H,15,16)
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n/an/a 1.20E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM31704
PNG
(MLS000050353 | N-(2,3-di-2-furyl-6-quinoxalinyl)-1...)
Show SMILES O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCCCCC1
Show InChI InChI=1S/C23H22N4O3/c28-23(27-11-3-1-2-4-12-27)24-16-9-10-17-18(15-16)26-22(20-8-6-14-30-20)21(25-17)19-7-5-13-29-19/h5-10,13-15H,1-4,11-12H2,(H,24,28)
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n/an/a 1.23E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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 1.24E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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 1.40E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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 1.42E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35393
PNG
(2-(4-ethoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxy-...)
Show SMILES CCOc1ccc(cc1)-c1cc2nc(C3CCN(CC3)C(=O)OC(C)(C)C)c(cn2n1)C(O)=O
Show InChI InChI=1S/C25H30N4O5/c1-5-33-18-8-6-16(7-9-18)20-14-21-26-22(19(23(30)31)15-29(21)27-20)17-10-12-28(13-11-17)24(32)34-25(2,3)4/h6-9,14-15,17H,5,10-13H2,1-4H3,(H,30,31)
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n/an/a 1.50E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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 1.53E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM31734
PNG
(8-carbethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O
Show InChI InChI=1S/C16H17NO4/c1-2-21-16(20)9-6-7-13-12(8-9)10-4-3-5-11(10)14(17-13)15(18)19/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19)
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n/an/a 1.58E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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 1.61E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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 1.70E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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 1.82E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM22851
PNG
(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Show SMILES O=C1C=Cc2ccccc2C1=O
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 1.84E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35401
PNG
(3-hydroxy-2-phenyl-2,3-dihydro-1,5-benzothiazepin-...)
Show SMILES OC1C(Sc2ccccc2NC1=O)c1ccccc1
Show InChI InChI=1S/C15H13NO2S/c17-13-14(10-6-2-1-3-7-10)19-12-9-5-4-8-11(12)16-15(13)18/h1-9,13-14,17H,(H,16,18)
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n/an/a 2.01E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM33055
PNG
(2,3-bis(2-furanyl)-N-phenyl-6-quinoxalinecarboxami...)
Show SMILES O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C23H15N3O3/c27-23(24-16-6-2-1-3-7-16)15-10-11-17-18(14-15)26-22(20-9-5-13-29-20)21(25-17)19-8-4-12-28-19/h1-14H,(H,24,27)
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n/an/a 2.16E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35402
PNG
(MLS000093276 | N-[2-(4-morpholinyl)-5-(trifluorome...)
Show SMILES FC(F)(F)c1ccc(N2CCOCC2)c(Nc2nc3ccccc3n3cnnc23)c1
Show InChI InChI=1S/C20H17F3N6O/c21-20(22,23)13-5-6-16(28-7-9-30-10-8-28)15(11-13)26-18-19-27-24-12-29(19)17-4-2-1-3-14(17)25-18/h1-6,11-12H,7-10H2,(H,25,26)
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n/an/a 2.27E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35379
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[4-ami...)
Show SMILES CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
Show InChI InChI=1S/C25H24N4O6/c1-14(2)12-29-22(26)21(23(31)28(3)25(29)33)19(30)13-35-24(32)16-11-18(20-9-6-10-34-20)27-17-8-5-4-7-15(16)17/h4-11,14H,12-13,26H2,1-3H3
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n/an/a 2.31E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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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n/an/a 2.35E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM31020
PNG
(5-chloranyl-3-[2-[4-(2,3-dimethylphenyl)piperazin-...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)Cc2c([nH]c3ccc(Cl)cc23)C(O)=O)c1C
Show InChI InChI=1S/C23H24ClN3O3/c1-14-4-3-5-20(15(14)2)26-8-10-27(11-9-26)21(28)13-18-17-12-16(24)6-7-19(17)25-22(18)23(29)30/h3-7,12,25H,8-11,13H2,1-2H3,(H,29,30)
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n/an/a 2.58E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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 2.62E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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 2.62E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35395
PNG
(2-(4-methoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxy...)
Show SMILES COc1ccc(cc1)-c1cc2nc(C3CCN(CC3)C(=O)OC(C)(C)C)c(cn2n1)C(O)=O
Show InChI InChI=1S/C24H28N4O5/c1-24(2,3)33-23(31)27-11-9-16(10-12-27)21-18(22(29)30)14-28-20(25-21)13-19(26-28)15-5-7-17(32-4)8-6-15/h5-8,13-14,16H,9-12H2,1-4H3,(H,29,30)
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n/an/a 2.69E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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
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 2.71E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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 2.78E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35394
PNG
(6-chloranyl-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-...)
Show SMILES Cc1nc2c(c[nH]n2c(=O)c1Cl)C(=O)NCCC1=CCCCC1
Show InChI InChI=1S/C16H19ClN4O2/c1-10-13(17)16(23)21-14(20-10)12(9-19-21)15(22)18-8-7-11-5-3-2-4-6-11/h5,9,19H,2-4,6-8H2,1H3,(H,18,22)
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n/an/a 3.11E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35403
PNG
(MLS000094302 | SMR000029892 | cid_3242856 | methyl...)
Show SMILES COC(=O)c1ccccc1NC(=O)CN1C(=O)C2CCCN2c2ncc(Cl)cc12
Show InChI InChI=1S/C20H19ClN4O4/c1-29-20(28)13-5-2-3-6-14(13)23-17(26)11-25-16-9-12(21)10-22-18(16)24-8-4-7-15(24)19(25)27/h2-3,5-6,9-10,15H,4,7-8,11H2,1H3,(H,23,26)
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n/an/a 3.59E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35426
PNG
(5-({4-[2-cyano-2-(4-fluorophenyl)vinyl]-2-ethoxyph...)
Show SMILES CCOc1cc(\C=C(\C#N)c2ccc(F)cc2)ccc1OCc1ccc(o1)C(O)=O
Show InChI InChI=1S/C23H18FNO5/c1-2-28-22-12-15(11-17(13-25)16-4-6-18(24)7-5-16)3-9-20(22)29-14-19-8-10-21(30-19)23(26)27/h3-12H,2,14H2,1H3,(H,26,27)/b17-11-
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n/an/a 3.61E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35383
PNG
(MLS000091355 | N-(4-methyl-5-oxidanylidene-chromen...)
Show SMILES Cc1cc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCC2)nc2c3ccccc3oc(=O)c12
Show InChI InChI=1S/C24H21N3O5S/c1-15-14-20(25-22-18-6-2-3-7-19(18)32-24(29)21(15)22)26-23(28)16-8-10-17(11-9-16)33(30,31)27-12-4-5-13-27/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,25,26,28)
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n/an/a 3.82E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35414
PNG
(5-oxidanylidene-N3-(oxolan-2-ylmethyl)-N8-pentyl-1...)
Show SMILES CCCCCNC(=O)c1ccc2c(c1)n1c([nH]c2=O)c(sc1=S)C(=O)NCC1CCCO1
Show InChI InChI=1S/C22H26N4O4S2/c1-2-3-4-9-23-19(27)13-7-8-15-16(11-13)26-18(25-20(15)28)17(32-22(26)31)21(29)24-12-14-6-5-10-30-14/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,23,27)(H,24,29)(H,25,28)
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n/an/a 3.84E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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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n/an/a 3.90E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35386
PNG
(MLS000095236 | N-(4-ethylphenyl)-2-[3-(2-morpholin...)
Show SMILES CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCN2CCOCC2)cc1
Show InChI InChI=1S/C24H28N4O3S/c1-2-18-7-9-19(10-8-18)25-22(29)17-32-24-26-21-6-4-3-5-20(21)23(30)28(24)12-11-27-13-15-31-16-14-27/h3-10H,2,11-17H2,1H3,(H,25,29)
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n/an/a 4.58E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35408
PNG
(1-ethyl-4-keto-N-(4-methylcyclohexyl)-6-piperidino...)
Show SMILES CCn1cc(C(=O)NC2CCC(C)CC2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C24H33N3O4S/c1-3-26-16-21(24(29)25-18-9-7-17(2)8-10-18)23(28)20-15-19(11-12-22(20)26)32(30,31)27-13-5-4-6-14-27/h11-12,15-18H,3-10,13-14H2,1-2H3,(H,25,29)
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n/an/a 4.86E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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 4.92E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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 4.92E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35418
PNG
(2-({[3-{[(3-methylphenyl)amino]carbonyl}-4-(1-pipe...)
Show SMILES Cc1cccc(NC(=O)c2cc(NC(=O)C3CCCCC3C(O)=O)ccc2N2CCCCC2)c1
Show InChI InChI=1S/C27H33N3O4/c1-18-8-7-9-19(16-18)28-26(32)23-17-20(12-13-24(23)30-14-5-2-6-15-30)29-25(31)21-10-3-4-11-22(21)27(33)34/h7-9,12-13,16-17,21-22H,2-6,10-11,14-15H2,1H3,(H,28,32)(H,29,31)(H,33,34)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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 4.99E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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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n/an/a 5.00E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35413
PNG
(6-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfan...)
Show SMILES Clc1ccc(cc1)C(=O)CSc1nc2n(ncc2c(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C19H13ClN4O2S/c20-13-8-6-12(7-9-13)16(25)11-27-19-22-17-15(18(26)23-19)10-21-24(17)14-4-2-1-3-5-14/h1-10H,11H2,(H,22,23,26)
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n/an/a>5.00E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35416
PNG
(5-({4-[2-cyano-2-(4-fluorophenyl)vinyl]-2-methoxyp...)
Show SMILES COc1cc(\C=C(\C#N)c2ccc(F)cc2)ccc1OCc1ccc(o1)C(O)=O
Show InChI InChI=1S/C22H16FNO5/c1-27-21-11-14(10-16(12-24)15-3-5-17(23)6-4-15)2-8-19(21)28-13-18-7-9-20(29-18)22(25)26/h2-11H,13H2,1H3,(H,25,26)/b16-10-
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35420
PNG
(MLS000096728 | N-(1-benzyl-3,5-dimethyl-1H-pyrazol...)
Show SMILES Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CSc1nc2sc3CCCc3c2c(=O)n1C
Show InChI InChI=1S/C24H25N5O2S2/c1-14-21(15(2)29(27-14)12-16-8-5-4-6-9-16)25-19(30)13-32-24-26-22-20(23(31)28(24)3)17-10-7-11-18(17)33-22/h4-6,8-9H,7,10-13H2,1-3H3,(H,25,30)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35434
PNG
(MLS000109219 | N-(4-bromophenyl)-1-(4-pyridyl)meth...)
Show SMILES [O-]\[N+](=C/c1ccncc1)c1ccc(Br)cc1
Show InChI InChI=1S/C12H9BrN2O/c13-11-1-3-12(4-2-11)15(16)9-10-5-7-14-8-6-10/h1-9H/b15-9-
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
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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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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 MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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 MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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 MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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 MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35392
PNG
(7-[4-(1-azepanylsulfonyl)anilino]-6-(phenylmethyl)...)
Show SMILES O=c1n(Cc2ccccc2)c(Nc2ccc(cc2)S(=O)(=O)N2CCCCCC2)c2[nH]cccc12
Show InChI InChI=1S/C26H28N4O3S/c31-26-23-11-8-16-27-24(23)25(30(26)19-20-9-4-3-5-10-20)28-21-12-14-22(15-13-21)34(32,33)29-17-6-1-2-7-18-29/h3-5,8-16,27-28H,1-2,6-7,17-19H2
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35398
PNG
(4-[[6-(4-fluorobenzyl)-5-keto-7H-pyrrolo[3,4-b]pyr...)
Show SMILES CCOC(=O)c1ccc(Nc2n(Cc3ccc(F)cc3)c(=O)c3ccc[nH]c23)cc1
Show InChI InChI=1S/C23H20FN3O3/c1-2-30-23(29)16-7-11-18(12-8-16)26-21-20-19(4-3-13-25-20)22(28)27(21)14-15-5-9-17(24)10-6-15/h3-13,25-26H,2,14H2,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35404
PNG
(6-(4-methoxyphenyl)-3-methyl-N-(6-methyl-2-pyridin...)
Show SMILES COc1ccc(cc1)-c1cn2c(C)c(sc2n1)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C20H18N4O2S/c1-12-5-4-6-17(21-12)23-19(25)18-13(2)24-11-16(22-20(24)27-18)14-7-9-15(26-3)10-8-14/h4-11H,1-3H3,(H,21,23,25)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35411
PNG
(MLS000092931 | N-(2,5-dimethoxyphenyl)-2-[[5-[(1-m...)
Show SMILES COc1ccc(OC)c(NC(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)c1
Show InChI InChI=1S/C26H29N5O3S/c1-30-14-7-10-20(30)16-24-28-29-26(31(24)15-13-19-8-5-4-6-9-19)35-18-25(32)27-22-17-21(33-2)11-12-23(22)34-3/h4-12,14,17H,13,15-16,18H2,1-3H3,(H,27,32)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35421
PNG
(MLS000065753 | N-[1-(2-oxolanyl)ethyl]-1,3-benzodi...)
Show SMILES CC(NC(=O)c1ccc2OCOc2c1)C1CCCO1
Show InChI InChI=1S/C14H17NO4/c1-9(11-3-2-6-17-11)15-14(16)10-4-5-12-13(7-10)19-8-18-12/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,15,16)
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n/an/a>5.00E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35355
PNG
(2-(4-Oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-N-[4...)
Show SMILES O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C20H20N4O4S2/c25-18(13-29-20-22-17-6-2-1-5-16(17)19(26)23-20)21-14-7-9-15(10-8-14)30(27,28)24-11-3-4-12-24/h1-2,5-10H,3-4,11-13H2,(H,21,25)(H,22,23,26)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM32004
PNG
(2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-di...)
Show SMILES O=C1C(Nc2ccccc12)=C1C(=O)c2ccccc2C1=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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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35385
PNG
(2-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-1...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)c2cc3c(n2C)c2ccccc2[nH]c3=O)c1C
Show InChI InChI=1S/C25H26N4O2/c1-16-7-6-10-21(17(16)2)28-11-13-29(14-12-28)25(31)22-15-19-23(27(22)3)18-8-4-5-9-20(18)26-24(19)30/h4-10,15H,11-14H2,1-3H3,(H,26,30)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35412
PNG
(MLS000092640 | N-[2-(1-cyclohexenyl)ethyl]-3-[(1,3...)
Show SMILES Cn1c2ccc(cc2c(=O)n(C)c1=O)S(=O)(=O)NCCC(=O)NCCC1=CCCCC1
Show InChI InChI=1S/C21H28N4O5S/c1-24-18-9-8-16(14-17(18)20(27)25(2)21(24)28)31(29,30)23-13-11-19(26)22-12-10-15-6-4-3-5-7-15/h6,8-9,14,23H,3-5,7,10-13H2,1-2H3,(H,22,26)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35415
PNG
(1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(3-fl...)
Show SMILES Cc1nc2cc(nn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2)-c1cccc(F)c1
Show InChI InChI=1S/C24H27FN4O3/c1-16-20(6-7-23(30)28-10-8-24(9-11-28)31-12-13-32-24)17(2)29-22(26-16)15-21(27-29)18-4-3-5-19(25)14-18/h3-5,14-15H,6-13H2,1-2H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35422
PNG
(1-(4-amino-2-anilino-1,3-thiazol-5-yl)-2,2-dimethy...)
Show SMILES CC(C)(C)C(=O)c1sc(Nc2ccccc2)nc1N
Show InChI InChI=1S/C14H17N3OS/c1-14(2,3)11(18)10-12(15)17-13(19-10)16-9-7-5-4-6-8-9/h4-8H,15H2,1-3H3,(H,16,17)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35424
PNG
(2-(4-methylanilino)-6-[(1-phenyltetrazol-5-yl)sulf...)
Show SMILES Cc1ccc(Nc2nc(CSc3nnnn3-c3ccccc3)cc(=O)[nH]2)cc1
Show InChI InChI=1S/C19H17N7OS/c1-13-7-9-14(10-8-13)20-18-21-15(11-17(27)22-18)12-28-19-23-24-25-26(19)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H2,20,21,22,27)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35427
PNG
(4-methyl-N-[2-(tosylamino)propyl]benzenesulfonamid...)
Show SMILES CC(CNS(=O)(=O)c1ccc(C)cc1)NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H22N2O4S2/c1-13-4-8-16(9-5-13)24(20,21)18-12-15(3)19-25(22,23)17-10-6-14(2)7-11-17/h4-11,15,18-19H,12H2,1-3H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35375
PNG
(6-[5-chloranyl-2-oxidanyl-3-(pyrimidin-2-ylsulfany...)
Show SMILES CN1Cc2cc(cnc2NC1=O)C(=O)c1cc(Cl)cc(CSc2ncccn2)c1O
Show InChI InChI=1S/C20H16ClN5O3S/c1-26-9-12-5-11(8-24-18(12)25-20(26)29)16(27)15-7-14(21)6-13(17(15)28)10-30-19-22-3-2-4-23-19/h2-8,28H,9-10H2,1H3,(H,24,25,29)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35397
PNG
(MLS000095109 | N-cyclopentyl-1-methyl-6-(4-methylp...)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc2n(C)cc(C(=O)NC3CCCC3)c(=O)c2c1
Show InChI InChI=1S/C22H29N3O4S/c1-15-9-11-25(12-10-15)30(28,29)17-7-8-20-18(13-17)21(26)19(14-24(20)2)22(27)23-16-5-3-4-6-16/h7-8,13-16H,3-6,9-12H2,1-2H3,(H,23,27)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35425
PNG
(4-[5-(3-carbomethoxy-5-keto-2-methyl-1,4-dihydroin...)
Show SMILES COC(=O)C1C(C2=C(N=C1C)c1ccccc1C2=O)c1ccc(o1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H19NO6/c1-13-20(26(31)32-2)21(22-23(27-13)16-5-3-4-6-17(16)24(22)28)19-12-11-18(33-19)14-7-9-15(10-8-14)25(29)30/h3-12,20-21H,1-2H3,(H,29,30)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35428
PNG
(4-{5-[(phenylthio)methyl]-1,2,4-oxadiazol-3-yl}pyr...)
Show SMILES C(Sc1ccccc1)c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C14H11N3OS/c1-2-4-12(5-3-1)19-10-13-16-14(17-18-13)11-6-8-15-9-7-11/h1-9H,10H2
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM34527
PNG
(2-[(2-keto-2-pyrrolidino-ethyl)thio]-3-(4-methoxyp...)
Show SMILES COc1ccc(cc1)-n1c(SCC(=O)N2CCCC2)nc2c3ccccc3[nH]c2c1=O
Show InChI InChI=1S/C23H22N4O3S/c1-30-16-10-8-15(9-11-16)27-22(29)21-20(17-6-2-3-7-18(17)24-21)25-23(27)31-14-19(28)26-12-4-5-13-26/h2-3,6-11,24H,4-5,12-14H2,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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>5.00E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35439
PNG
((4-phenylphenyl)-[4-(2-pyridinylmethyl)-1-piperazi...)
Show SMILES O=C(N1CCN(Cc2ccccn2)CC1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H23N3O/c27-23(21-11-9-20(10-12-21)19-6-2-1-3-7-19)26-16-14-25(15-17-26)18-22-8-4-5-13-24-22/h1-13H,14-18H2
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n/an/a>5.00E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35440
PNG
(ALLOPURINOL | MLS000069453 | SMR000059083 | cid_20...)
Show SMILES O=c1[nH]cnc2n[nH]cc12
Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35376
PNG
(6-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl...)
Show SMILES Cc1ccc(C)c(c1)-n1nnnc1SCC(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C19H17N5O3S/c1-11-3-4-12(2)15(7-11)24-19(21-22-23-24)28-10-16(25)13-5-6-17-14(8-13)20-18(26)9-27-17/h3-8H,9-10H2,1-2H3,(H,20,26)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35378
PNG
(4-keto-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinox...)
Show SMILES Cc1ccc(NC(=O)COC(=O)c2ccc3N4CCCC4C(=O)Nc3c2)cc1C
Show InChI InChI=1S/C22H23N3O4/c1-13-5-7-16(10-14(13)2)23-20(26)12-29-22(28)15-6-8-18-17(11-15)24-21(27)19-4-3-9-25(18)19/h5-8,10-11,19H,3-4,9,12H2,1-2H3,(H,23,26)(H,24,27)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35381
PNG
(4-(5-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfon...)
Show SMILES Cc1cccc(N2CCN(CC2)S(=O)(=O)c2ccc3N(CCc3c2)C(=O)CCC(O)=O)c1C
Show InChI InChI=1S/C24H29N3O5S/c1-17-4-3-5-21(18(17)2)25-12-14-26(15-13-25)33(31,32)20-6-7-22-19(16-20)10-11-27(22)23(28)8-9-24(29)30/h3-7,16H,8-15H2,1-2H3,(H,29,30)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35382
PNG
(MLS000093068 | N-cyclopentyl-3-[(2-keto-3-methyl-1...)
Show SMILES Cn1c2ccc(cc2oc1=O)S(=O)(=O)NCCC(=O)NC1CCCC1
Show InChI InChI=1S/C16H21N3O5S/c1-19-13-7-6-12(10-14(13)24-16(19)21)25(22,23)17-9-8-15(20)18-11-4-2-3-5-11/h6-7,10-11,17H,2-5,8-9H2,1H3,(H,18,20)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35384
PNG
(4-amylcyclohexanecarboxylic acid | 4-pentyl-1-cycl...)
Show SMILES CCCCCC1CCC(CC1)C(O)=O
Show InChI InChI=1S/C12H22O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h10-11H,2-9H2,1H3,(H,13,14)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35387
PNG
(3-chloro-6-(4-piperonylpiperazine-1-carbonyl)pyrid...)
Show SMILES Clc1ccc2c(c1)nc1c(cccn1c2=O)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C25H21ClN4O4/c26-17-4-5-18-20(13-17)27-23-19(2-1-7-30(23)25(18)32)24(31)29-10-8-28(9-11-29)14-16-3-6-21-22(12-16)34-15-33-21/h1-7,12-13H,8-11,14-15H2
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35390
PNG
(2-(2-keto-1-methyl-2-piperidino-ethyl)-4-methyl-be...)
Show SMILES CC(C(=O)N1CCCCC1)n1nc(C)c2sc3ccccc3c2c1=O
Show InChI InChI=1S/C19H21N3O2S/c1-12-17-16(14-8-4-5-9-15(14)25-17)19(24)22(20-12)13(2)18(23)21-10-6-3-7-11-21/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35391
PNG
(4-[(2-bromo-11-keto-pyrido[2,1-b]quinazoline-6-car...)
Show SMILES CCOC(=O)N1CCC(CC1)NC(=O)c1cccn2c1nc1ccc(Br)cc1c2=O
Show InChI InChI=1S/C21H21BrN4O4/c1-2-30-21(29)25-10-7-14(8-11-25)23-19(27)15-4-3-9-26-18(15)24-17-6-5-13(22)12-16(17)20(26)28/h3-6,9,12,14H,2,7-8,10-11H2,1H3,(H,23,27)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35410
PNG
(1-ethyl-4-[[2-keto-2-(4-piperonylpiperazino)ethyl]...)
Show SMILES CCn1c2ccccc2c(SCC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1=O
Show InChI InChI=1S/C25H27N3O4S/c1-2-28-20-6-4-3-5-19(20)23(14-24(28)29)33-16-25(30)27-11-9-26(10-12-27)15-18-7-8-21-22(13-18)32-17-31-21/h3-8,13-14H,2,9-12,15-17H2,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35423
PNG
(3,4-dimethoxy-N-[(5-{[2-(4-methoxyphenyl)-2-oxoeth...)
Show SMILES COc1ccc(cc1)C(=O)CSc1nnc(CNC(=O)c2ccc(OC)c(OC)c2)n1C
Show InChI InChI=1S/C22H24N4O5S/c1-26-20(12-23-21(28)15-7-10-18(30-3)19(11-15)31-4)24-25-22(26)32-13-17(27)14-5-8-16(29-2)9-6-14/h5-11H,12-13H2,1-4H3,(H,23,28)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35437
PNG
(4-O-[4-(4-methoxy-4-oxobutanoyl)oxyphenyl] 1-O-met...)
Show SMILES COC(=O)CCC(=O)Oc1ccc(OC(=O)CCC(=O)OC)cc1
Show InChI InChI=1S/C16H18O8/c1-21-13(17)7-9-15(19)23-11-3-5-12(6-4-11)24-16(20)10-8-14(18)22-2/h3-6H,7-10H2,1-2H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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 MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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 MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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 MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35399
PNG
(3-(4-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}p...)
Show SMILES CC12CC(NC(=O)N1c1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(F)cc1)c1ccccc1O2
Show InChI InChI=1S/C28H27FN4O3/c1-28-18-24(23-4-2-3-5-25(23)36-28)30-27(35)33(28)22-10-6-19(7-11-22)26(34)32-16-14-31(15-17-32)21-12-8-20(29)9-13-21/h2-13,24H,14-18H2,1H3,(H,30,35)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35405
PNG
(3-(2-keto-1,3-benzoxazol-3-yl)-N-(2-methylcyclohex...)
Show SMILES CC1CCCCC1NC(=O)CCn1c2ccccc2oc1=O
Show InChI InChI=1S/C17H22N2O3/c1-12-6-2-3-7-13(12)18-16(20)10-11-19-14-8-4-5-9-15(14)22-17(19)21/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,18,20)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35432
PNG
(3-[(3,4-dichlorobenzyl)amino]cyclopent-2-en-1-one ...)
Show SMILES Clc1ccc(CNC2=CC(=O)CC2)cc1Cl
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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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM34209
PNG
(MLS000071775 | N-(3,4-Dimethyl-phenyl)-2-{5-[4-(py...)
Show SMILES Cc1ccc(NC(=O)CSc2nnc(o2)-c2ccc(cc2)S(=O)(=O)N2CCCC2)cc1C
Show InChI InChI=1S/C22H24N4O4S2/c1-15-5-8-18(13-16(15)2)23-20(27)14-31-22-25-24-21(30-22)17-6-9-19(10-7-17)32(28,29)26-11-3-4-12-26/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,27)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35409
PNG
(7-(4-cyclohexylpiperazin-1-yl)carbonyl-3-cyclopent...)
Show SMILES O=C(N1CCN(CC1)C1CCCCC1)c1ccc2c(c1)[nH]c(=S)n(C1CCCC1)c2=O
Show InChI InChI=1S/C24H32N4O2S/c29-22(27-14-12-26(13-15-27)18-6-2-1-3-7-18)17-10-11-20-21(16-17)25-24(31)28(23(20)30)19-8-4-5-9-19/h10-11,16,18-19H,1-9,12-15H2,(H,25,31)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35429
PNG
(MLS000097401 | N-[3-(6-methyl-[1,2,4]triazolo[3,4-...)
Show SMILES Cc1nn2c(nnc2c2ccccc12)-c1cccc(NC(=O)c2ccco2)c1
Show InChI InChI=1S/C21H15N5O2/c1-13-16-8-2-3-9-17(16)20-24-23-19(26(20)25-13)14-6-4-7-15(12-14)22-21(27)18-10-5-11-28-18/h2-12H,1H3,(H,22,27)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35430
PNG
(2-[(6-ethoxy-4-methyl-2-quinazolinyl)amino]-1,5,6,...)
Show SMILES CCOc1ccc2nc(Nc3nc4CCCc4c(=O)[nH]3)nc(C)c2c1
Show InChI InChI=1S/C18H19N5O2/c1-3-25-11-7-8-15-13(9-11)10(2)19-17(21-15)23-18-20-14-6-4-5-12(14)16(24)22-18/h7-9H,3-6H2,1-2H3,(H2,19,20,21,22,23,24)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35366
PNG
(4-(1,3-benzothiazol-2-yl)butanoic acid methyl este...)
Show SMILES COC(=O)CCCc1nc2ccccc2s1
Show InChI InChI=1S/C12H13NO2S/c1-15-12(14)8-4-7-11-13-9-5-2-3-6-10(9)16-11/h2-3,5-6H,4,7-8H2,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35370
PNG
(MLS000040594 | SMR000045627 | cid_664626)
Show SMILES CC(=O)[C@@H]1[C@H]2[C@@H](C3N1C=Cc1ccccc31)C(=O)N(C2=O)c1ccc(F)c(Cl)c1
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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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM32066
PNG
(4-[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonyl-2H-p...)
Show SMILES O=C(N1CCN(CC1)C1c2ccccc2-c2ccccc12)c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C26H22N4O2/c31-25-22-12-6-3-9-19(22)23(27-28-25)26(32)30-15-13-29(14-16-30)24-20-10-4-1-7-17(20)18-8-2-5-11-21(18)24/h1-12,24H,13-16H2,(H,28,31)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35389
PNG
(MLS000046685 | N-cyclopropyl-4-keto-6-[[3-(trifluo...)
Show SMILES Oc1c(cnc2ccc(cc12)S(=O)(=O)Nc1cccc(c1)C(F)(F)F)C(=O)NC1CC1
Show InChI InChI=1S/C20H16F3N3O4S/c21-20(22,23)11-2-1-3-13(8-11)26-31(29,30)14-6-7-17-15(9-14)18(27)16(10-24-17)19(28)25-12-4-5-12/h1-3,6-10,12,26H,4-5H2,(H,24,27)(H,25,28)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35406
PNG
(3-(2-furanylmethyl)-6-(4-morpholinyl)-2-sulfanylid...)
Show SMILES O=c1n(Cc2ccco2)c(=S)[nH]c2ccc(cc12)N1CCOCC1
Show InChI InChI=1S/C17H17N3O3S/c21-16-14-10-12(19-5-8-22-9-6-19)3-4-15(14)18-17(24)20(16)11-13-2-1-7-23-13/h1-4,7,10H,5-6,8-9,11H2,(H,18,24)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35417
PNG
(MLS000089222 | N-[3-({[3-(1H-benzimidazol-2-yl)phe...)
Show SMILES O=C(Nc1cccc(c1)C(=O)Nc1cccc(c1)-c1nc2ccccc2[nH]1)c1ccco1
Show InChI InChI=1S/C25H18N4O3/c30-24(17-7-4-9-19(15-17)27-25(31)22-12-5-13-32-22)26-18-8-3-6-16(14-18)23-28-20-10-1-2-11-21(20)29-23/h1-15H,(H,26,30)(H,27,31)(H,28,29)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35438
PNG
(2-ethylsulfanylethyl 2-methyl-5-oxidanylidene-4-(4...)
Show SMILES CCSCCOC(=O)C1=C(C)N=C2CCCC(=O)C2C1c1coc2ccccc2c1=O
Show InChI InChI=1S/C24H25NO5S/c1-3-31-12-11-29-24(28)20-14(2)25-17-8-6-9-18(26)22(17)21(20)16-13-30-19-10-5-4-7-15(19)23(16)27/h4-5,7,10,13,21-22H,3,6,8-9,11-12H2,1-2H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
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 MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35396
PNG
(6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanyliden...)
Show SMILES O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)N1CCCc2ccccc12
Show InChI InChI=1S/C22H19N5O2S/c28-19(26-12-6-8-15-7-4-5-11-18(15)26)14-30-22-24-20-17(13-23-25-20)21(29)27(22)16-9-2-1-3-10-16/h1-5,7,9-11,13H,6,8,12,14H2,(H,23,25)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM34390
PNG
(MLS000043492 | N-(4-methoxyphenyl)-N-(4-methyl-2-s...)
Show SMILES COC(=O)N(c1ccc(OC)cc1)P1(=S)OCCC(C)O1
Show InChI InChI=1S/C13H18NO5PS/c1-10-8-9-18-20(21,19-10)14(13(15)17-3)11-4-6-12(16-2)7-5-11/h4-7,10H,8-9H2,1-3H3
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University of Pittsburgh Molecular Library Screening Center

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Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%