BDBM50158460 (3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran-3-yl)methanone::2-ethyl-3-(3,5-dibrom-4-hydroxybenzoyl)benzofuran::3,5-dibromo-4-hydroxyphenyl-2-ethyl-3-benzofuranyl ketone::Benzbromarone::CHEMBL388590::US9725430, Compound 1::US9856239, benzbromarone::US9962362, Compound 1::Uroleap (TN)::cid_2333

SMILES CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1

InChI Key InChIKey=WHQCHUCQKNIQEC-UHFFFAOYSA-N

Data  4 KI  51 IC50  1 Kd  5 EC50

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50158460   

TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50158460((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Affinity DataIC50: >1.00E+5nMAssay 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
LigandPNGBDBM50158460((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Affinity DataIC50:  4.90E+4nMAssay 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
TargetChaperonin GroEL(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50158460((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
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
LigandPNGBDBM50158460((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Affinity DataIC50:  1.80E+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
LigandPNGBDBM50158460((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Affinity DataIC50:  9.10E+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
In DepthDetails ArticlePubMed