BDBM39986 MLS000098594::N-(1,3-benzodioxol-5-yl)-2-[(5-ethyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetamide::N-(1,3-benzodioxol-5-yl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide::N-(1,3-benzodioxol-5-yl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamide::N-(1,3-benzodioxol-5-yl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetamide::SMR000065401::cid_2999466

SMILES CCn1c2ccccc2c2nnc(SCC(=O)Nc3ccc4OCOc4c3)nc12

InChI Key InChIKey=BKFZIUFUPSALME-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 39986   

TargetEstrogen receptor(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM39986(cid_2999466 | N-(1,3-benzodioxol-5-yl)-2-[(5-ethyl...)
Affinity DataIC50: 5.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2011
Entry Details
PCBioAssay