BDBM19980 (1S,9S,10R)-4-hydroxy-9-(4-hydroxyphenyl)-8-oxatricyclo[8.4.0.0^{2,7}]tetradeca-2(7),3,5-trien-13-one::Cyclohexanone, 3a::racemic mixture

SMILES Oc1ccc(cc1)[C@H]1Oc2ccc(O)cc2[C@H]2CC(=O)CC[C@@H]12

InChI Key InChIKey=ZHCLSBXFNCMUQE-UHFFFAOYSA-N

Data  2 KI

  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 2 hits for monomerid = 19980   

TargetEstrogen receptor beta(Human)
Eli Lilly

LigandPNGBDBM19980(racemic mixture | (1S,9S,10R)-4-hydroxy-9-(4-hydro...)
Affinity DataKi:  375nM ΔG°:  -8.67kcal/molepH: 7.5 T: 2°CAssay Description:The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/6/2008
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
Eli Lilly

LigandPNGBDBM19980(racemic mixture | (1S,9S,10R)-4-hydroxy-9-(4-hydro...)
Affinity DataKi: >1.00E+3nM ΔG°: >-8.10kcal/molepH: 7.5 T: 2°CAssay Description:The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/6/2008
Entry Details Article
PubMed