BDBM50186231 (2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)acetic acid::CHEMBL456::ETHACRYNIC ACID::Edecrin::Etacrinic acid::Ethacrynate::Hydromedin::Methylenebutyrylphenoxyacetic acid::[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid::jm5b01461, Compound 72

SMILES CCC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl

InChI Key InChIKey=AVOLMBLBETYQHX-UHFFFAOYSA-N

Data  2 KI  25 IC50

PDB links: 10 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50186231   

LigandPNGBDBM50186231([2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ace...)
Affinity DataIC50: 3.85E+3nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetGlutathione S-transferase Mu 2(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50186231([2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ace...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human GSTM2 by spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails
PubMed
Targetglutathione transferase(Schistosoma japonicum)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50186231([2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ace...)
Affinity DataIC50: 1.84E+3nMAssay Description:Inhibition of Schistosoma japonicum GST by spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50186231([2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ace...)
Affinity DataIC50: 1.11E+3nMAssay Description:Inhibition of N-terminal His-tagged SARS-CoV-2 3CLpro by microplate reader assayMore data for this Ligand-Target Pair
In DepthDetails
PubMed
Target14 kDa phosphohistidine phosphatase(Human)
Ulsan National Institute of Science and Technology (UNIST)

Curated by ChEMBL
LigandPNGBDBM50186231([2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ace...)
Affinity DataIC50: 1.83E+4nMAssay Description:Inhibition of human PHPT1 expressed in Escherichia coli BL21 (DE3) using pNPP as substrate incubated for 1 hr by multimode microplate reader analysisMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetDual specificity mitogen-activated protein kinase kinase 6(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50186231([2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ace...)
Affinity DataIC50: 4.50E+3nMAssay Description:Inhibition of MEK6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target60 kDa heat shock protein, mitochondrial(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50186231([2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ace...)
Affinity DataIC50: 8.50E+3nMAssay Description:Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetChaperonin GroEL(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50186231([2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ace...)
Affinity DataIC50: 2.50E+5nMAssay Description:Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50186231([2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ace...)
Affinity DataIC50: 5.20E+3nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThiosulfate sulfurtransferase(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50186231([2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ace...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50186231([2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ace...)
Affinity DataIC50: 4.70E+3nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetGlutathione S-transferase omega-1(Human)
Monash University

Curated by ChEMBL
LigandPNGBDBM50186231([2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ace...)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of human GSTO1-1 by MMA (V) reductase assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetLarge T antigen(SV40)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50186231([2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ace...)
Affinity DataIC50: 1.00E+5nMAssay Description:A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
LigandPNGBDBM50186231([2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ace...)
Affinity DataIC50: 9.59E+4nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50186231([2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ace...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50186231([2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ace...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetGlutathione S-transferase P(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50186231([2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ace...)
Affinity DataIC50: 3.40E+3nMAssay Description:Inhibition of GST P1-1 in human HL60 cell lysateMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetUDP-glucose 4-epimerase(Human)
University of Dundee

Curated by ChEMBL
LigandPNGBDBM50186231([2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ace...)
Affinity DataIC50: 1.40E+4nMAssay Description:Inhibition of human GalE by HPAEC assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHematopoietic prostaglandin D synthase(Human)
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50186231([2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ace...)
Affinity DataIC50: 1.22E+5nMAssay Description:Inhibition of human H-PGDS expressed in Escherichia coli BL21 assessed as rate of glutathione-chloro-dinitro benzene conjugationMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetGlutathione S-transferase A1(Human)
Syntrix Biosytems

Curated by ChEMBL
LigandPNGBDBM50186231([2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ace...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of GST A1-1More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetGlutathione S-transferase P(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50186231([2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ace...)
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibition of GST P1-1More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetGlutathione S-transferase P(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50186231([2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ace...)
Affinity DataIC50: 2.60E+4nMAssay Description:A range of natural products were screened for inhibition of PfGST by GST assay with CDNB as a substrate, using a 96-well SpectraMax 340 microplate sp...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetGlutathione S-transferase E2(African malaria mosquito)
University of Zimbabwe

LigandPNGBDBM50186231([2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ace...)
Affinity DataIC50: 1.40E+3nMpH: 6.5 T: 2°CAssay Description:A range of natural product were screened for inhibition of AgGSTE2. GST activity was monitored by measuring absorbance at 340 nm with time, using a ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPerilipin-5(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50186231([2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ace...)
Affinity DataIC50: 4.83E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetPerilipin-1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50186231([2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ace...)
Affinity DataIC50: 4.19E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetReplicase polyprotein 1ab(SARS-CoV)
University of Bonn

LigandPNGBDBM50186231([2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ace...)
Affinity DataKi:  3.75E+5nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target14 kDa phosphohistidine phosphatase(Human)
Ulsan National Institute of Science and Technology (UNIST)

Curated by ChEMBL
LigandPNGBDBM50186231([2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ace...)
Affinity DataKi:  1.83E+5nMAssay Description:Inhibition of human PHPT1 expressed in Escherichia coli BL21 (DE3) using pNPP as substrate assessed as inhibition constant by reciprocal analysisMore data for this Ligand-Target Pair
In DepthDetails
PubMed