BDBM4078 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione::CHEMBL6246::ELLAGIC ACID::Elagic Acid::Ellagic acid (18)::Ellagic acid dihydrate::MLS000069632::SMR000058244::cid_5281855

SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O

InChI Key InChIKey=AFSDNFLWKVMVRB-UHFFFAOYSA-N

Data  24 KI  87 IC50  1 Kd  5 EC50  1 Koff  1 Kon

PDB links: 3 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 = 4078   

TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Catholic University of Daegu

LigandPNGBDBM4078(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Affinity DataKi:  2.80E+3nMAssay Description:The reaction mixtures contained in various different concentrations of p-NPP as a PTP1B substrate in the presence or absence of the active compound. ...More data for this Ligand-Target Pair
In DepthDetails
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Catholic University of Daegu

LigandPNGBDBM4078(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Affinity DataIC50:  7.73E+3nMpH: 6.0Assay Description:PTP1B activity was measured by adding 2mM p-NPP and PTP1B in a 50 mM citrate buffer (pH 6.0, 0.1 M NaCl, 1 mMEDTA, and 1 mM dithiothreitol), with or ...More data for this Ligand-Target Pair
In DepthDetails