BDBM24778 2-methyl-1,4-dihydronaphthalene-1,4-dione::2-methyl-1,4-naphthoquinone, 5::CHEMBL590::Menadione::Menadione (5d)::Menadione (Vitamin K3)::Menadione, 9::Vitamin K3::cid_4055

SMILES CC1=CC(=O)c2ccccc2C1=O

InChI Key InChIKey=MJVAVZPDRWSRRC-UHFFFAOYSA-N

Data  7 KI  39 IC50

PDB links: 6 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 24778   

TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  2.50E+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 ArticlePubMed
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  1.00E+3nMAssay 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 ArticlePubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  9.00E+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 ArticlePubMed
Target60 kDa heat shock protein, mitochondrial(Homo sapiens)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  1.50E+4nMAssay 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 ArticlePubMed
TargetChaperonin GroEL(Escherichia coli)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
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 ArticlePubMed