BindingDB

null

SMILES Oc1ccc(cc1O)-c1oc2c(O)c(O)cc(O)c2c(=O)c1O

InChI Key InChIKey=YRRAGUMVDQQZIY-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 26655

Co-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL

BDBM26655(2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-4H-ch...)copy SMILEScopy InChI

IC50: 390nMAssay 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

PDB
UniProtKB/TrEMBL
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BindingDB Entry DOI: 10.7270/Q2NZ8C33PubMed

60 kDa heat shock protein, mitochondrial(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL

BDBM26655(2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-4H-ch...)copy SMILEScopy InChI

IC50: 7.50E+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

PDB
UniProtKB/SwissProt
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BindingDB Entry DOI: 10.7270/Q2NZ8C33PubMed

Co-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL

BDBM26655(2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-4H-ch...)copy SMILEScopy InChI

IC50: 2.10E+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

PDB
UniProtKB/TrEMBL
GoogleScholar

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BindingDB Entry DOI: 10.7270/Q2NZ8C33PubMed

Thiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL

BDBM26655(2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-4H-ch...)copy SMILEScopy InChI

IC50: 330nMAssay 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

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UniProtKB/SwissProt
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BindingDB Entry DOI: 10.7270/Q2NZ8C33PubMed

Chaperonin GroEL(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL

BDBM26655(2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-4H-ch...)copy SMILEScopy InChI

IC50: 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

PDB
UniProtKB/TrEMBL
GoogleScholar

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BindingDB Entry DOI: 10.7270/Q2NZ8C33PubMed

Targets 12 ▿
- Co-chaperonin GroES 2
- Serine/threonine-protein kinase pim-1 2
- Death-associated protein kinase 1 1
- 60 kDa heat shock protein, mitochondrial 1
- Fructose-1,6-bisphosphatase 1 1
- Aromatase 1
- Thiosulfate sulfurtransferase 1
- Aurora kinase B 1
- Chaperonin GroEL 1
- Solute carrier organic anion transporter family member 2B1 1
- Microtubule-associated protein tau 1
- Sialidase 1
Publications 9 ▿
- Bioorg Med Chem Lett 29: 1106-1112 (2019) 5
- Bioorg Med Chem 16: 8466-70 (2008) 1
- Eur J Med Chem 85: 228-34 (2014) 1
- J Med Chem 58: 7400-8 (2015) 1
- Bioorg Med Chem 17: 6816-23 (2009) 1
- J Nat Prod 83: 1541-1552 (2020) 1
- Mol Cancer Ther 6: 163-72 (2007) 1
- Chem Biol Drug Des 85: 574-85 (2015) 1
- Bioorg Med Chem 15: 6463-73 (2007) 1
Institutions 9 ▿
- [Indiana University School of Medicine] 5
- [Loma Linda University, Loma Linda University School of Medicine, Tokyo Institute of Technology, University of Porto, Konkuk University, King's College London, University of Toyama, Korea Research Institute of Bioscience and Biotechnology] 1
- [Loma Linda University, Loma Linda University School of Medicine, Tokyo Institute of Technology, University of Porto, Konkuk University, King's College London, University of Toyama, Korea Research Institute of Bioscience and Biotechnology] 1
- [Loma Linda University, Loma Linda University School of Medicine, Tokyo Institute of Technology, University of Porto, Konkuk University, King's College London, University of Toyama, Korea Research Institute of Bioscience and Biotechnology] 1
- [Loma Linda University, Loma Linda University School of Medicine, Tokyo Institute of Technology, University of Porto, Konkuk University, King's College London, University of Toyama, Korea Research Institute of Bioscience and Biotechnology] 1
- [Loma Linda University, Loma Linda University School of Medicine, Tokyo Institute of Technology, University of Porto, Konkuk University, King's College London, University of Toyama, Korea Research Institute of Bioscience and Biotechnology] 1
- [Loma Linda University, Loma Linda University School of Medicine, Tokyo Institute of Technology, University of Porto, Konkuk University, King's College London, University of Toyama, Korea Research Institute of Bioscience and Biotechnology] 1
- [Loma Linda University, Loma Linda University School of Medicine, Tokyo Institute of Technology, University of Porto, Konkuk University, King's College London, University of Toyama, Korea Research Institute of Bioscience and Biotechnology] 1
- [Loma Linda University, Loma Linda University School of Medicine, Tokyo Institute of Technology, University of Porto, Konkuk University, King's College London, University of Toyama, Korea Research Institute of Bioscience and Biotechnology] 1
Affinity: 3.3E+2 to 2.5E+5 nM▿
- IC50 14
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1