BDBM22425 (4Z)-5-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(4-hydroxyphenyl)-4-phenylpent-4-enenitrile::4-hydroxytamoxifen (4-OHT) analog, 5
SMILES: CN(C)CCOc1ccc(cc1)C(=C(\CCC#N)c1ccccc1)\c1ccc(O)cc1
InChI Key: InChIKey=NJLBAPRPXSPJQO-RQZHXJHFSA-N
Data: 2 IC50
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-Related Receptor, gamma (Homo sapiens (Human)) | BDBM22425 ((4Z)-5-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(4-hy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.30E+3 | 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 (docked) | ||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM22425 ((4Z)-5-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(4-hy...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 200 | 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 |