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
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
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3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM50186231 ((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 3.75E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn | Assay Description This is a review article. | J Med Chem 59: 6595-628 (2016) Article DOI: 10.1021/acs.jmedchem.5b01461 BindingDB Entry DOI: 10.7270/Q2PK0JH1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HSP60/HSP10 (Homo sapiens) | BDBM50186231 ((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset... | Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
perilipin-5 (Homo sapiens (Human)) | BDBM50186231 ((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | 4.83E+3 | n/a | n/a | n/a | n/a | n/a | n/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) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2D21W3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glutathione S-transferase E2 (Anopheles gambiae (African malaria mosquito)) | BDBM50186231 ((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | 6.5 | 30 |
University of Zimbabwe | Assay 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 ... | J Enzyme Inhib Med Chem 23: 391-9 (2008) Article DOI: 10.1080/14756360701546595 BindingDB Entry DOI: 10.7270/Q25B011G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glutathione transferase (GST) (Homo sapiens (Human)) | BDBM50186231 ((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zimbabwe | Assay 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... | J Enzyme Inhib Med Chem 25: 854-62 (2010) Article DOI: 10.3109/14756366.2010.486793 BindingDB Entry DOI: 10.7270/Q2D21WGF | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Glutathione transferase (GST) (Homo sapiens (Human)) | BDBM50186231 ((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntrix Biosytems Curated by ChEMBL | Assay Description Inhibition of GST P1-1 | Bioorg Med Chem Lett 16: 3780-3 (2006) Article DOI: 10.1016/j.bmcl.2006.04.041 BindingDB Entry DOI: 10.7270/Q28W3CXV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Glutathione S-transferase (GST) (Homo sapiens (Human)) | BDBM50186231 ((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntrix Biosytems Curated by ChEMBL | Assay Description Inhibition of GST A1-1 | Bioorg Med Chem Lett 16: 3780-3 (2006) Article DOI: 10.1016/j.bmcl.2006.04.041 BindingDB Entry DOI: 10.7270/Q28W3CXV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Prostaglandin D Synthase (Homo sapiens (Human)) | BDBM50186231 ((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.22E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland Curated by ChEMBL | Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 assessed as rate of glutathione-chloro-dinitro benzene conjugation | Eur J Med Chem 45: 447-54 (2010) Article DOI: 10.1016/j.ejmech.2009.10.025 BindingDB Entry DOI: 10.7270/Q2HD7VQT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
UDP-glucose 4-epimerase (Homo sapiens (Human)) | BDBM50186231 ((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee Curated by ChEMBL | Assay Description Inhibition of human GalE by HPAEC assay | Bioorg Med Chem Lett 16: 5744-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.091 BindingDB Entry DOI: 10.7270/Q2RJ4K83 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glutathione transferase (GST) (Homo sapiens (Human)) | BDBM50186231 ((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of GST P1-1 in human HL60 cell lysate | J Med Chem 53: 1015-22 (2010) Article DOI: 10.1021/jm9011565 BindingDB Entry DOI: 10.7270/Q2FF3T8S | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50186231 ((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay 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 ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM50186231 ((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay 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... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human)) | BDBM50186231 ((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 9.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human)) | BDBM50186231 ((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 3.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay 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... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glutathione transferase omega 1 (Homo sapiens (Human)) | BDBM50186231 ((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University Curated by ChEMBL | Assay Description Inhibition of human GSTO1-1 by MMA (V) reductase assay | J Med Chem 61: 7448-7470 (2018) Article DOI: 10.1021/acs.jmedchem.8b00318 BindingDB Entry DOI: 10.7270/Q23T9KVG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
10 kDa chaperonin (Escherichia coli) | BDBM50186231 ((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ... | Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thiosulfate sulfurtransferase (Homo sapiens) | BDBM50186231 ((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ... | Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
10 kDa chaperonin (Escherichia coli) | BDBM50186231 ((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a... | Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
60 kDa chaperonin (Escherichia coli) | BDBM50186231 ((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys... | Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
large T antigen (Simian virus 40) | BDBM50186231 ((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Specialized Biocontainment Screening Center Curated by PubChem BioAssay | Assay 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... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2M61HQ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
perilipin-1 (Homo sapiens (Human)) | BDBM50186231 ((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | 4.19E+3 | n/a | n/a | n/a | n/a | n/a | n/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) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2HT2MS2 | |||||||||||
More data for this Ligand-Target Pair |