BDBM40501 2,5-dimethyl-4-[1-oxo-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester::2,5-dimethyl-4-[2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester::MLS000098710::SMR000063766::cid_2998530::ethyl 2,5-dimethyl-4-[2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1H-pyrrole-3-carboxylate::ethyl 2,5-dimethyl-4-[2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate

SMILES CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnc(o1)-c1cc(OC)c(OC)c(OC)c1

InChI Key InChIKey=XSIKFGDKXCLMMW-UHFFFAOYSA-N

Data  1 EC50

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

Found 1 hit for monomerid = 40501   

TargetEstrogen receptor(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM40501(ethyl 2,5-dimethyl-4-[2-[[5-(3,4,5-trimethoxypheny...)
Affinity DataEC50:  1.25E+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
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Date in BDB:
5/6/2011
Entry Details
PCBioAssay