Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Estrogen receptor (Homo sapiens (Human)) | BDBM50099585 (1-(4-(2-(azepan-1-yl)ethoxy)benzyl)-2-(4-hydroxyph...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 0.600 | 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) | ||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM50099585 (1-(4-(2-(azepan-1-yl)ethoxy)benzyl)-2-(4-hydroxyph...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research Curated by ChEMBL | Assay Description In vitro antagonist effect on estrogen receptor alpha transcriptional activation in MCF-7 cells against 10 pM 17-beta-estradiol | J Med Chem 44: 1654-7 (2001) BindingDB Entry DOI: 10.7270/Q2F47NDX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Estrogen receptor beta (Homo sapiens (Human)) | BDBM50099585 (1-(4-(2-(azepan-1-yl)ethoxy)benzyl)-2-(4-hydroxyph...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.80 | 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 | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM50099585 (1-(4-(2-(azepan-1-yl)ethoxy)benzyl)-2-(4-hydroxyph...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research Curated by ChEMBL | Assay Description In vitro inhibition of [3H]-17-beta-estradiol binding to human estrogen receptor alpha | J Med Chem 44: 1654-7 (2001) BindingDB Entry DOI: 10.7270/Q2F47NDX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM50099585 (1-(4-(2-(azepan-1-yl)ethoxy)benzyl)-2-(4-hydroxyph...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | 4 |
Wyeth LLC US Patent | Assay Description The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ... | US Patent US8815934 (2014) BindingDB Entry DOI: 10.7270/Q2PZ57H0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Estrogen receptor beta (Homo sapiens (Human)) | BDBM50099585 (1-(4-(2-(azepan-1-yl)ethoxy)benzyl)-2-(4-hydroxyph...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research Curated by ChEMBL | Assay Description In vitro inhibitory concentration against [3H]-17-beta-estradiol binding to human estrogen receptor 2 | J Med Chem 44: 1654-7 (2001) BindingDB Entry DOI: 10.7270/Q2F47NDX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM50099585 (1-(4-(2-(azepan-1-yl)ethoxy)benzyl)-2-(4-hydroxyph...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Pasteur Korea | Assay Description Ten-point DRCs were generated for each drug. Vero cells were seeded at 1.2 × 104 cells per well in DMEM, supplemented with 2% FBS and 1× ... | Antimicrob Agents Chemother 64: (2020) Article DOI: 10.1128/AAC.00819-20 BindingDB Entry DOI: 10.7270/Q22N54QR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM50099585 (1-(4-(2-(azepan-1-yl)ethoxy)benzyl)-2-(4-hydroxyph...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 3.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Central University of Punjab Curated by ChEMBL | Assay Description Displacement of Fluormone-tagged ES2 from human recombinant ERalpha after 2 hrs by fluorescence polarization assay | Bioorg Med Chem 26: 266-277 (2018) Article DOI: 10.1016/j.bmc.2017.11.040 BindingDB Entry DOI: 10.7270/Q2K64MNF | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |