BDBM50141158 (2S,3S)-7-Hydroxy-3-(4-hydroxy-phenyl)-5-methyl-2-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-chroman-4-one::CHEMBL30950
SMILES: Cc1cc(O)cc2O[C@@H]([C@@H](C(=O)c12)c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1
InChI Key: InChIKey=AHXXHWFYNAUTSS-XRKRLSELSA-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 receptor (Homo sapiens (Human)) | BDBM50141158 ((2S,3S)-7-Hydroxy-3-(4-hydroxy-phenyl)-5-methyl-2-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity against human estrogen receptor alpha in competitive binding assay | Bioorg Med Chem Lett 14: 1417-21 (2004) Article DOI: 10.1016/j.bmcl.2004.01.031 BindingDB Entry DOI: 10.7270/Q28G8K4S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM50141158 ((2S,3S)-7-Hydroxy-3-(4-hydroxy-phenyl)-5-methyl-2-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 546 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity against human estrogen receptor beta (ER beta) in competitive binding assay | Bioorg Med Chem Lett 14: 1417-21 (2004) Article DOI: 10.1016/j.bmcl.2004.01.031 BindingDB Entry DOI: 10.7270/Q28G8K4S | |||||||||||
More data for this Ligand-Target Pair |