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
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50249069   

TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
Korea Research Institute Of Bioscience And Biotechnology

Curated by ChEMBL
LigandPNGBDBM50249069(1,3,5-trihydroxybenzene | CHEMBL473159 | benzene-1...)
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 ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Pukyong National University

Curated by ChEMBL
LigandPNGBDBM50249069(1,3,5-trihydroxybenzene | CHEMBL473159 | benzene-1...)
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 ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50249069   

HostPNGBDBM36284(BDBM36303 | BDBM36310 | Methyl Viologen-Cucurbit[8...)
University Of Cambridge

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