BDBM19991 (2S,6R,7S)-4,4-difluoro-7-(4-hydroxyphenyl)-10-(methoxymethyl)-8-oxatricyclo[7.4.0.0^{2,6}]trideca-1(9),10,12-trien-12-ol::A/C-ring modified benzopyran scaffold, 4b

SMILES COCc1cc(O)cc2[C@H]3CC(F)(F)C[C@H]3[C@H](Oc12)c1ccc(O)cc1

InChI Key InChIKey=GPFRMIHXGMVMGF-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 = 19991   

TargetEstrogen receptor beta(Human)
Eli Lilly

LigandPNGBDBM19991((2S,6R,7S)-4,4-difluoro-7-(4-hydroxyphenyl)-10-(me...)
Affinity DataKi:  118nM ΔG°:  -9.35kcal/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:
1/15/2008
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
Eli Lilly

LigandPNGBDBM19991((2S,6R,7S)-4,4-difluoro-7-(4-hydroxyphenyl)-10-(me...)
Affinity DataKi:  198nM ΔG°:  -9.05kcal/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:
1/15/2008
Entry Details Article
PubMed