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BDBM35431 MLS000106874::SMR000111250::cid_774975

SMILES: COc1ccc2noc3-c4ccccc4C(=O)c1c23

InChI Key: InChIKey=FCRLYYQMRWSKIT-UHFFFAOYSA-N

Data: 21 IC50  4 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 35431   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dual Specificity Protein Phosphatase 1


(Homo sapiens (Human))
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
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
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 6.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens (Human))
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 1.43E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-1...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2VH5M71
More data for this
Ligand-Target Pair
MKP-3


(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 phosphatase Cdc25B


(Homo sapiens (Human))
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>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase probe assessment dose response assay in 25 mM DTT has been developed to assess actives that were identified in the Cdc25B HTS ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q29K48M5
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
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>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase probe assessment dose response reproducibility assay has been developed to re-confirm actives that were identified in the Cdc2...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25T3HWF
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens (Human))
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 4.61E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-1 inhibit...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2QR4VH9
More data for this
Ligand-Target Pair
MKP-3


(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>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-3 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-3...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2M043S8
More data for this
Ligand-Target Pair
MKP-3


(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 2.26E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-3 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-3 inhibit...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2G73C2Z
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
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 1.32E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase HTS dose response confirmation has been developed to confirm actives identified in the Cdc25B HTS AID 368, screened at the Uni...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2BG2MCP
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
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>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase probe assessment dose response assay in Catalase has been developed to assess actives that were identified in the Cdc25B HTS A...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2X928QK
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
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>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase probe assessment dose response assay in 25 mM DTT with Catalase has been developed to assess actives that were identified in t...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SJ1J08
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
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>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase probe assessment dose response assay in Beta-Mercaptoethanol (BME) has been developed to assess actives that were identified i...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NS0S8J
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
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>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase probe assessment dose response assay in Glutathione (GSH) has been developed to assess actives that were identified in the Cdc...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2J101KZ
More data for this
Ligand-Target Pair
MKP-3


(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>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase probe assessment MKP-1 dose response selectivity assay has been developed to test the phosphatase specificity of actives that ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DB806H
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens (Human))
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>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase probe assessment MKP-1 dose response selectivity assay has been developed to test the phosphatase specificity of actives that ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q28K77GS
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
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>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 Dual Specificity Protein Tyrosine Phosphatase Probe Assessment Cdc25B Dose Response Selectivity Assay has been developed to evaluate the PT...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2125R2H
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
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/an/an/a 1.01E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
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/an/an/a 3.61E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
LANA


(Human herpesvirus 8)
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/an/an/a 221n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
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 4.25E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
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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B.MOAD
DrugBank
antibodypedia
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PC cid
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UniChem

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PCBioAssay
n/an/a 5.93E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (Human))
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
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem

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n/an/a 2.63E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Probable global transcription activator SNF2L2


(Homo sapiens (Human))
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
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem

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n/an/an/an/a 9.12E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GF0S4R
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens (Human))
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
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.43E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 dose response Active/Probe assessment-DTT assay has been developed to evaluate the effects of increased DTT concentration on the MKP-1 inhi...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q20863PV
More data for this
Ligand-Target Pair