BDBM50311662 (8R,9S,13S,14S)-3-Hydroxy-2-methoxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[a]phenanthren-17-one::(8R,9S,13S,14S)-3-hydroxy-2-methoxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one::2-methoxyestrone::CHEMBL425194
SMILES: COc1cc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2cc1O
InChI Key: InChIKey=WHEUWNKSCXYKBU-QPWUGHHJSA-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)) | BDBM50311662 ((8R,9S,13S,14S)-3-Hydroxy-2-methoxy-13-methyl-6,7,...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Experimental Genetics Curated by ChEMBL | Assay Description Displacement of [3H]17beta-estradiol from human ERalpha expressed in SF9 cells | Bioorg Med Chem Lett 19: 6740-4 (2009) Article DOI: 10.1016/j.bmcl.2009.09.113 BindingDB Entry DOI: 10.7270/Q20K29HP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) (Homo sapiens (Human)) | BDBM50311662 ((8R,9S,13S,14S)-3-Hydroxy-2-methoxy-13-methyl-6,7,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 207 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Experimental Genetics Curated by ChEMBL | Assay Description Inhibition of His-tagged human 17beta-HSD1 expressed in Escherichia coli by scintillation counting | Bioorg Med Chem Lett 19: 6740-4 (2009) Article DOI: 10.1016/j.bmcl.2009.09.113 BindingDB Entry DOI: 10.7270/Q20K29HP | |||||||||||
More data for this Ligand-Target Pair |