BDBM50249069 1,3,5-trihydroxybenzene::CHEMBL473159::benzene-1,3,5-triol::phloroglucinol

SMILES Oc1cc(O)cc(O)c1

InChI Key InChIKey=QCDYQQDYXPDABM-UHFFFAOYSA-N

Data  2 IC50  1 ITC

PDB links: 4 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50249069   

TargetBeta-secretase 1(Human)
Pukyong National University

Curated by ChEMBL
LigandPNGBDBM50249069(CHEMBL473159 | 1,3,5-trihydroxybenzene | phloroglu...)
Affinity DataIC50: 3.65E+4nMAssay Description:Inhibition of human recombinant BACE1 after 60 mins by FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetReplicase polyprotein 1ab(SARS-CoV)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM50249069(CHEMBL473159 | 1,3,5-trihydroxybenzene | phloroglu...)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of C-terminal His6-tagged recombinant SARS coronavirus 3C-like protease trans-cleavage activity expressed in Escherichia coli BL21 (DE3) u...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50249069   

HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM50249069(CHEMBL473159 | 1,3,5-trihydroxybenzene | phloroglu...)
ITC DataΔG°: -3.50kcal/mole logk: 370
pH: 7.0 T: 25.00°C