BDBM50185849 (9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one::(S)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one::CHEMBL211614
SMILES: CCCC[C@]12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2
InChI Key: InChIKey=FTEBGBCQCYMDPH-KRWDZBQOSA-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 |
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Estrogen receptor beta (Homo sapiens (Human)) | BDBM50185849 ((9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahyd...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to ERbeta by scintillation proximity assay | Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM50185849 ((9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahyd...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 129 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to ERalpha by scintillation proximity assay | Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X | |||||||||||
More data for this Ligand-Target Pair |