BDBM67454 1,2,4-trihydroxy-9,10-anthraquinone::1,2,4-trihydroxyanthracene-9,10-dione::1,2,4-tris(oxidanyl)anthracene-9,10-dione::MLS002473304::SMR001306802::cid_6683::hsp90_173::purpurin

SMILES Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O

InChI Key InChIKey=BBNQQADTFFCFGB-UHFFFAOYSA-N

Data  2 KI  16 IC50  2 Kd

PDB links: 3 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 67454   

TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)
Affinity DataIC50:  2.30E+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
LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)
Affinity DataIC50:  1.50E+4nMAssay 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
LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)
Affinity DataIC50:  2.30E+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
LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)
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
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)
Affinity DataIC50:  4.00E+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