BDBM50194076 2-[4-(9a-benzyl-7-hydroxy-3-oxo-2,3,9,9a-tetrahydro-1H-fluoren-4-yl)phenoxy]-N,N-dimethylethanamine::CHEMBL214207
SMILES: CN(C)CCOc1ccc(cc1)C1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O
InChI Key: InChIKey=IAUSPZCQVJGJQM-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM50194076 (2-[4-(9a-benzyl-7-hydroxy-3-oxo-2,3,9,9a-tetrahydr...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL | Assay Description Binding affinity to human ER beta | J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM50194076 (2-[4-(9a-benzyl-7-hydroxy-3-oxo-2,3,9,9a-tetrahydr...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL | Assay Description Binding affinity to human ER alpha | J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM50194076 (2-[4-(9a-benzyl-7-hydroxy-3-oxo-2,3,9,9a-tetrahydr...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL | Assay Description Binding affinity to ERalpha L384M/M421G mutant | J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH | |||||||||||
More data for this Ligand-Target Pair |