BDBM19982 (2R,6S,7R)-4,4-difluoro-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0^{2,6}]trideca-1(9),10,12-trien-12-ol::BMCL175563 Compound 3a::C-ring modified benzopyran scaffold, 2b

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

InChI Key InChIKey=QJSMFUTULGSHNQ-UHFFFAOYSA-N

Data  4 KI

  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 4 hits for monomerid = 19982   

TargetEstrogen receptor beta(Human)
Eli Lilly

LigandPNGBDBM19982((2R,6S,7R)-4,4-difluoro-7-(4-hydroxyphenyl)-8-oxat...)
Affinity DataKi:  0.440nM ΔG°:  -12.6kcal/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 beta(Human)
Eli Lilly

LigandPNGBDBM19982((2R,6S,7R)-4,4-difluoro-7-(4-hydroxyphenyl)-8-oxat...)
Affinity DataKi:  0.440nM ΔG°:  -12.6kcal/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

LigandPNGBDBM19982((2R,6S,7R)-4,4-difluoro-7-(4-hydroxyphenyl)-8-oxat...)
Affinity DataKi:  8.30nM ΔG°:  -10.9kcal/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

LigandPNGBDBM19982((2R,6S,7R)-4,4-difluoro-7-(4-hydroxyphenyl)-8-oxat...)
Affinity DataKi:  8.40nM ΔG°:  -10.9kcal/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