BDBM540513 US11261186, Example 449

SMILES COc1cc(N2CCC3(CC2)C[C@H](CN2CCC4(CC2)COc2c4ccc4c2CN([C@H]2CCC(=O)NC2=O)C4=O)CO3)c(F)cc1[C@@H]1c2ccc(O)cc2CC[C@@H]1c1ccccc1

InChI Key InChIKey=WXAYIIQNXAPDFT-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 540513   

TargetEstrogen receptor [282-595](Homo sapiens (Human))
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US Patent
LigandChemical structure of BindingDB Monomer ID 540513BDBM540513((S)-3-(1'-(((R)-8-(2-fluoro-4- ((1S,2S)-6-hydroxy-...)
Affinity DataIC50: 10nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/10/2026
Entry Details US Patent