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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM19990 ((2R,6S,7R)-4,4-difluoro-7-(4-hydroxyphenyl)-10-(me...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.530 | -12.5 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Lilly Research Laboratories | Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin... | Bioorg Med Chem Lett 17: 5563-6 (2007) Article DOI: 10.1016/j.bmcl.2007.08.009 BindingDB Entry DOI: 10.7270/Q2416VB9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM19990 ((2R,6S,7R)-4,4-difluoro-7-(4-hydroxyphenyl)-10-(me...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 43.8 | -9.93 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Lilly Research Laboratories | Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin... | Bioorg Med Chem Lett 17: 5563-6 (2007) Article DOI: 10.1016/j.bmcl.2007.08.009 BindingDB Entry DOI: 10.7270/Q2416VB9 | |||||||||||
More data for this Ligand-Target Pair |