BDBM22435 4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hydroxy-2-phenylpent-1-en-1-yl]phenol::4-hydroxytamoxifen (4-OHT) analog, 15::GSK 5182
SMILES: CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
InChI Key: InChIKey=ZVSFNBNLNLXEFQ-RQZHXJHFSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Estrogen receptor (Homo sapiens (Human)) | BDBM22435![]() (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) | PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 320 | n/a | n/a | n/a | n/a | 7.4 | 22 |
GSK | Assay Description Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand... | Bioorg Med Chem Lett 16: 821-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.030 BindingDB Entry DOI: 10.7270/Q2WW7FZ7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen-Related Receptor, gamma (Homo sapiens (Human)) | BDBM22435![]() (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 79 | n/a | n/a | n/a | n/a | 7.4 | 22 |
GSK | Assay Description Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand... | Bioorg Med Chem Lett 16: 821-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.030 BindingDB Entry DOI: 10.7270/Q2WW7FZ7 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Estrogen-related receptor alpha (Homo sapiens (Human)) | BDBM22435![]() (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL | Assay Description Inhibition of fluorescien-conjugated coactivator PGC1a binding to ERRalpha (unknown origin) after 1 hr by TR-FRET assay | Eur J Med Chem 120: 338-52 (2016) Article DOI: 10.1016/j.ejmech.2016.04.076 BindingDB Entry DOI: 10.7270/Q2TH8PN2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroid hormone receptor ERR2 (Homo sapiens (Human)) | BDBM22435![]() (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL | Assay Description Inhibition of fluorescien-conjugated coactivator PGC1a binding to ERRbeta (unknown origin) after 1 hr by TR-FRET assay | Eur J Med Chem 120: 338-52 (2016) Article DOI: 10.1016/j.ejmech.2016.04.076 BindingDB Entry DOI: 10.7270/Q2TH8PN2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen-related receptor gamma (Homo sapiens (Human)) | BDBM22435![]() (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Beckman Research Institute Curated by ChEMBL | Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused mouse ERRgamma ligand binding domain expressed in African green monkey CV1 cells assessed a... | Bioorg Med Chem 25: 1585-1599 (2017) Article DOI: 10.1016/j.bmc.2017.01.019 BindingDB Entry DOI: 10.7270/Q2DF6TFV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Estrogen-related receptor gamma (Homo sapiens (Human)) | BDBM22435![]() (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL | Assay Description Inverse agonist activity at ERRgamma (unknown origin) expressed in human AD293 cells after 24 hrs by beta-galactosidase/luciferase reporter gene assa... | Eur J Med Chem 120: 338-52 (2016) Article DOI: 10.1016/j.ejmech.2016.04.076 BindingDB Entry DOI: 10.7270/Q2TH8PN2 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM22435![]() (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) | PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL | Assay Description Inhibition of fluorescien-conjugated coactivator PGC1a binding to ERalpha (unknown origin) after 1 hr by TR-FRET assay | Eur J Med Chem 120: 338-52 (2016) Article DOI: 10.1016/j.ejmech.2016.04.076 BindingDB Entry DOI: 10.7270/Q2TH8PN2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroid hormone receptor ERR2 (Homo sapiens (Human)) | BDBM22435![]() (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Beckman Research Institute Curated by ChEMBL | Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human ERRbeta ligand binding domain expressed in African green monkey CV1 cells assessed as... | Bioorg Med Chem 25: 1585-1599 (2017) Article DOI: 10.1016/j.bmc.2017.01.019 BindingDB Entry DOI: 10.7270/Q2DF6TFV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen-related receptor gamma (Homo sapiens (Human)) | BDBM22435![]() (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL | Assay Description Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay | Eur J Med Chem 120: 338-52 (2016) Article DOI: 10.1016/j.ejmech.2016.04.076 BindingDB Entry DOI: 10.7270/Q2TH8PN2 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |