BDBM50157156 (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2S)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL::(2S,3R)-3-(4-Hydroxy-phenyl)-2-[4-((S)-2-pyrrolidin-1-yl-propoxy)-phenyl]-2,3-dihydro-benzo[1,4]oxathiin-6-ol::(2S,3R)-3-(4-hydroxyphenyl)-2-(4-((S)-2-(pyrrolidin-1-yl)propoxy)phenyl)-2,3-dihydrobenzo[b][1,4]oxathiin-6-ol::CHEMBL180300
SMILES: C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1)N1CCCC1
InChI Key: InChIKey=UZOOIPXOYYJULJ-RHLLTPQKSA-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)) | BDBM50157156 ((2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2S)-2-PYRROLID...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human estrogen receptor 2 using tritiated estradiol incubated for 3 hr | Bioorg Med Chem Lett 15: 3912-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.089 BindingDB Entry DOI: 10.7270/Q2DV1JDB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM50157156 ((2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2S)-2-PYRROLID...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University Curated by ChEMBL | Assay Description Inhibition of ERalpha | Bioorg Med Chem Lett 21: 7298-305 (2011) Article DOI: 10.1016/j.bmcl.2011.10.036 BindingDB Entry DOI: 10.7270/Q2XW4K66 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM50157156 ((2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2S)-2-PYRROLID...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of binding to recombinant human ERalpha by scintillation proximity assay | Bioorg Med Chem Lett 15: 5124-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.084 BindingDB Entry DOI: 10.7270/Q2BZ65MS | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM50157156 ((2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2S)-2-PYRROLID...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of binding to recombinant human ERbeta by scintillation proximity assay | Bioorg Med Chem Lett 15: 5124-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.084 BindingDB Entry DOI: 10.7270/Q2BZ65MS | |||||||||||
More data for this Ligand-Target Pair |