BDBM96345 2-hydroxy-3,5,7-trimethylol-cyclohepta-2,4,6-trien-1-one::2-hydroxy-3,5,7-tris(hydroxymethyl)-1-cyclohepta-2,4,6-trienone::2-hydroxy-3,5,7-tris(hydroxymethyl)cyclohepta-2,4,6-trien-1-one::3,5,7-tris(hydroxymethyl)-2-oxidanyl-cyclohepta-2,4,6-trien-1-one::MLS000766751::SMR000339647::cid_741311

SMILES OCc1cc(CO)c(O)c(=O)c(CO)c1

InChI Key InChIKey=QMVFVYSXZNMEBK-UHFFFAOYSA-N

Data  2 IC50

  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 = 96345   

TargetT cell receptor alpha variable 4(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96345(SMR000339647 | cid_741311 | 2-hydroxy-3,5,7-tris(h...)
Affinity DataIC50: 2.46E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetAlbumin(Bovine)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96345(SMR000339647 | cid_741311 | 2-hydroxy-3,5,7-tris(h...)
Affinity DataIC50: 9.40E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay