BDBM82852 (1S,4R,6E,7S,8R)-2-hydroxy-7-[(2S)-5-hydroxy-2,4-dimethyl-3-oxo-2-furanyl]-6-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-2,4-dimethyl-8-[(2E,4E)-1-oxohexa-2,4-dienyl]bicyclo[2.2.2]octane-3,5-dione::(1S,4R,6E,7S,8R)-7-[(2S)-2,4-dimethyl-5-oxidanyl-3-oxidanylidene-furan-2-yl]-8-[(2E,4E)-hexa-2,4-dienoyl]-2,4-dimethyl-2-oxidanyl-6-[(2E,4E)-1-oxidanylhexa-2,4-dienylidene]bicyclo[2.2.2]octane-3,5-dione::(1S,4R,6E,7S,8R)-8-[(2E,4E)-hexa-2,4-dienoyl]-2-hydroxy-6-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-7-[(2S)-3-hydroxy-5-keto-2,4-dimethyl-2-furyl]-2,4-dimethyl-bicyclo[2.2.2]octane-3,5-quinone::(1S,4R,6E,7S,8R)-8-[(2E,4E)-hexa-2,4-dienoyl]-2-hydroxy-6-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-7-[(2S)-5-hydroxy-3-keto-2,4-dimethyl-2-furyl]-2,4-dimethyl-bicyclo[2.2.2]octane-3,5-quinone::(1S,4R,6E,7S,8R)-8-[(2E,4E)-hexa-2,4-dienoyl]-2-hydroxy-7-[(2S)-5-hydroxy-2,4-dimethyl-3-oxofuran-2-yl]-6-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-2,4-dimethylbicyclo[2.2.2]octane-3,5-dione::MLS000863641::SMR000440700::cid_16681744

SMILES CC=CC=CC(=O)C1[C@@H]2[C@@H]([C@@H](C(=O)C=CC=CC)[C@](C)(C1=O)C(=O)C2(C)O)[C@]1(C)OC(=O)C(C)C1=O

InChI Key

Data  2 IC50

  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 = 82852   

TargetDNA (cytosine-5)-methyltransferase 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM82852((1S,4R,6E,7S,8R)-8-[(2E,4E)-hexa-2,4-dienoyl]-2-hy...)
Affinity DataIC50: 5.25E+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:
6/19/2012
Entry Details
PCBioAssay
LigandPNGBDBM82852((1S,4R,6E,7S,8R)-8-[(2E,4E)-hexa-2,4-dienoyl]-2-hy...)
Affinity DataIC50: 5.92E+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