BDBM40368 (3E)-3-(1,3-benzodioxol-5-ylmethylene)-5-ethylthiophen-2(3H)-one::(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-5-ethyl-2-thiophenone::(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-5-ethyl-thiophen-2-one::(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-5-ethylthiophen-2-one::(3E)-5-ethyl-3-piperonylidene-thiophen-2-one::MLS000087677::SMR000023898::cid_5476555

SMILES CCC1=C\C(=C/c2ccc3OCOc3c2)C(=O)S1

InChI Key InChIKey=BUOREIVKKAYCJA-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 40368   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM40368(SMR000023898 | (3E)-3-(1,3-benzodioxol-5-ylmethyli...)
Affinity DataIC50: 5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay