BindingDB

null

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

InChI Key InChIKey=AVOLMBLBETYQHX-UHFFFAOYSA-N

PDB links: 10 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50186231

Large T antigen(Simian virus 40)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay

BDBM50186231((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...)copy SMILEScopy InChI

IC50: 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

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Details
BindingDB Entry DOI: 10.7270/Q2M61HQ8PCBioAssay

Targets 20 ▿
- Glutathione S-transferase P 3
- 14 kDa phosphohistidine phosphatase 2
- Co-chaperonin GroES 2
- Glutathione S-transferase omega-1 1
- Thiosulfate sulfurtransferase 1
- Replicase polyprotein 1ab 1
- Chaperonin GroEL 1
- ATP-binding cassette sub-family C member 3 1
- ATP-binding cassette sub-family C member 4 1
- Glutathione S-transferase E2 1
- 60 kDa heat shock protein, mitochondrial 1
- ATP-binding cassette sub-family C member 2 1
- Hematopoietic prostaglandin D synthase 1
- Dual specificity mitogen-activated protein kinase kinase 6 1
- Glutathione S-transferase A1 1
- Large T antigen 1
- Perilipin-5 1
- Bile salt export pump 1
- UDP-glucose 4-epimerase 1
- Perilipin-1 1
Publications 13 ▿
- Bioorg Med Chem Lett 29: 1106-1112 (2019) 5
- Toxicol Sci 136: 216-41 (2013) 4
- Bioorg Med Chem Lett 16: 3780-3 (2006) 2
- PubChem Bioassay (2010) 1
- J Enzyme Inhib Med Chem 23: 391-9 (2008) 1
- Eur J Med Chem 45: 447-54 (2010) 1
- PubChem Bioassay (2011) 1
- PubChem Bioassay (2011) 1
- J Enzyme Inhib Med Chem 25: 854-62 (2010) 1
- J Med Chem 53: 1015-22 (2010) 1
- Bioorg Med Chem Lett 16: 5744-7 (2006) 1
- J Med Chem 61: 7448-7470 (2018) 1
- J Med Chem 59: 6595-628 (2016) 1
Institutions 11 ▿
- [Indiana University School of Medicine] 5
- [Amgen Inc] 4
- [University of Zimbabwe, Syntrix Biosytems, The Scripps Research Institute Molecular Screening Center] 2
- [University of Zimbabwe, Syntrix Biosytems, The Scripps Research Institute Molecular Screening Center] 2
- [University of Zimbabwe, Syntrix Biosytems, The Scripps Research Institute Molecular Screening Center] 2
- [The University of Queensland, Monash University, University of Bonn, University of Dundee, Shandong University, Southern Research Specialized Biocontainment Screening Center] 1
- [The University of Queensland, Monash University, University of Bonn, University of Dundee, Shandong University, Southern Research Specialized Biocontainment Screening Center] 1
- [The University of Queensland, Monash University, University of Bonn, University of Dundee, Shandong University, Southern Research Specialized Biocontainment Screening Center] 1
- [The University of Queensland, Monash University, University of Bonn, University of Dundee, Shandong University, Southern Research Specialized Biocontainment Screening Center] 1
- [The University of Queensland, Monash University, University of Bonn, University of Dundee, Shandong University, Southern Research Specialized Biocontainment Screening Center] 1
- [The University of Queensland, Monash University, University of Bonn, University of Dundee, Shandong University, Southern Research Specialized Biocontainment Screening Center] 1
Affinity: 1.4E+3 to 3.8E+5 nM▿
- Ki 2
- IC50 22
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1