BDBM50194090 9a-(3-fluorobenzyl)-6-methyl-8,9,9a,10-tetrahydroindeno[2,1-e]indazol-7(3H)-one::CHEMBL213457
SMILES: CC1=C2c3ccc4[nH]ncc4c3CC2(Cc2cccc(F)c2)CCC1=O
InChI Key: InChIKey=QSROZUUOXPPUOM-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Estrogen receptor (Homo sapiens (Human)) | BDBM50194090 (9a-(3-fluorobenzyl)-6-methyl-8,9,9a,10-tetrahydroi...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | 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 | |||||||||||||
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM50194090 (9a-(3-fluorobenzyl)-6-methyl-8,9,9a,10-tetrahydroi...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.60E+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 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)) | BDBM50194090 (9a-(3-fluorobenzyl)-6-methyl-8,9,9a,10-tetrahydroi...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 440 | 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 |