BDBM19990 (2R,6S,7R)-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, 4a

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

InChI Key InChIKey=GPFRMIHXGMVMGF-BZSNNMDCSA-N

Data  2 KI

PDB links: 1 PDB ID matches this monomer.

  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 2 hits for monomerid = 19990   

TargetEstrogen receptor beta(Homo sapiens (Human))
Eli Lilly

LigandPNGBDBM19990((2R,6S,7R)-4,4-difluoro-7-(4-hydroxyphenyl)-10-(me...)
Affinity DataKi:  0.530nM ΔG°:  -12.5kcal/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
TargetEstrogen receptor(Homo sapiens (Human))
Eli Lilly

LigandPNGBDBM19990((2R,6S,7R)-4,4-difluoro-7-(4-hydroxyphenyl)-10-(me...)
Affinity DataKi:  43.8nM ΔG°:  -9.93kcal/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 DepthDetails ArticlePubMed