BDBM19987 (2R,6S,7R)-7-(4-hydroxyphenyl)-10-(methoxymethyl)-8-oxatricyclo[7.4.0.0^{2,6}]trideca-1(9),10,12-trien-12-ol::A-ring modified benzopyran scaffold, 2b::BMCL175563 Compound 2a

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

InChI Key InChIKey=RHQLNMNKTIOREN-AOIWGVFYSA-N

Data  4 KI

PDB links: 2 PDB IDs match this monomer.

  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 4 hits for monomerid = 19987   

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

LigandPNGBDBM19987((2R,6S,7R)-7-(4-hydroxyphenyl)-10-(methoxymethyl)-...)
Affinity DataKi:  0.280nM ΔG°:  -12.9kcal/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
TargetEstrogen receptor beta(Homo sapiens (Human))
Eli Lilly

LigandPNGBDBM19987((2R,6S,7R)-7-(4-hydroxyphenyl)-10-(methoxymethyl)-...)
Affinity DataKi:  0.280nM ΔG°:  -12.9kcal/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
TargetEstrogen receptor(Homo sapiens (Human))
Eli Lilly

LigandPNGBDBM19987((2R,6S,7R)-7-(4-hydroxyphenyl)-10-(methoxymethyl)-...)
Affinity DataKi:  11nM ΔG°:  -10.7kcal/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

LigandPNGBDBM19987((2R,6S,7R)-7-(4-hydroxyphenyl)-10-(methoxymethyl)-...)
Affinity DataKi:  11.9nM ΔG°:  -10.7kcal/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