BDBM19968 (2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0^{2,6}]trideca-1(13),9,11-trien-12-ol::(2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0^{2,6}]trideca-1(9),10,12-trien-12-ol::Benzopyran derivative., 4b(racemate)::SERBA-1::racemic mixture
SMILES: Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12
InChI Key: InChIKey=XIESSJVMWNJCGZ-VKJFTORMSA-N
PDB links: 2 PDB IDs match this monomer. 5 PDB IDs contain this monomer as substructures. 5 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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)) | BDBM19968 ((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.170 | -13.2 | 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: 5082-5 (2007) Article DOI: 10.1016/j.bmcl.2007.07.009 BindingDB Entry DOI: 10.7270/Q27S7M2Q | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM19968 ((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.190 | -13.1 | n/a | n/a | 0.660 | 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... | J Med Chem 49: 6155-7 (2006) Article DOI: 10.1021/jm060491j BindingDB Entry DOI: 10.7270/Q2N014SV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM19968 ((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.190 | -13.1 | 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) | ||||||||||||
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM19968 ((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.190 | -13.1 | 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: 4824-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.052 BindingDB Entry DOI: 10.7270/Q2CJ8BRK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM19968 ((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.470 | -12.6 | 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: 3570-4 (2007) Article DOI: 10.1016/j.bmcl.2007.04.051 BindingDB Entry DOI: 10.7270/Q2H70D30 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM19968 ((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 2.29 | -11.7 | 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: 5082-5 (2007) Article DOI: 10.1016/j.bmcl.2007.07.009 BindingDB Entry DOI: 10.7270/Q27S7M2Q | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM19968 ((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 2.68 | -11.6 | n/a | n/a | 19.4 | 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... | J Med Chem 49: 6155-7 (2006) Article DOI: 10.1021/jm060491j BindingDB Entry DOI: 10.7270/Q2N014SV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM19968 ((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 2.70 | -11.6 | 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: 4824-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.052 BindingDB Entry DOI: 10.7270/Q2CJ8BRK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM19968 ((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 2.70 | -11.6 | 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)) | BDBM19968 ((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 4.34 | -11.3 | 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: 3570-4 (2007) Article DOI: 10.1016/j.bmcl.2007.04.051 BindingDB Entry DOI: 10.7270/Q2H70D30 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |