BDBM82854 7-hydroxy-7-(hydroxymethyl)-1-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid methyl ester::7-hydroxy-7-methylol-1-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid methyl ester::MLS000877010::SMR000440681::cid_100058::methyl 7-(hydroxymethyl)-1-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate::methyl 7-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate

SMILES COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C=CC2(O)CO

InChI Key InChIKey=XJMPAUZQVRGFRE-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 82854   

LigandPNGBDBM82854(SMR000440681 | methyl 7-hydroxy-7-(hydroxymethyl)-...)
Affinity DataIC50: 3.19E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2012
Entry Details
PCBioAssay