BDBM40490 (8R,9S,13S,14S,17S)-13-methyl-3,17-bis(oxidanyl)-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one::(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one::6-KETOESTRADIOL::MLS000069457::SMR000059005::cid_66419
SMILES: C[C@]12CC[C@H]3[C@@H](CC(=O)c4cc(O)ccc34)[C@@H]1CC[C@@H]2O
InChI Key: InChIKey=ZHTDDOWJIRXOMA-YVEZLPLXSA-N
Data: 2 EC50
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)) | BDBM40490 ((8R,9S,13S,14S,17S)-13-methyl-3,17-bis(oxidanyl)-8...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 38.1 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: 1X01 MH077627-01 Assay for Ligands of GPR30 and Classical Estrogen Receptors PI: Eric Prossni... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2VQ313H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM40490 ((8R,9S,13S,14S,17S)-13-methyl-3,17-bis(oxidanyl)-8...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.25E+4 | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2F47MJ9 | |||||||||||
More data for this Ligand-Target Pair |