BDBM72205 (2E)-2-cyano-3-[(3-methoxyphenyl)amino]-3-[(3-nitrobenzyl)thio]-N-(thien-2-ylmethyl)acrylamide::(E)-2-cyano-3-(3-methoxyanilino)-3-[(3-nitrophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)prop-2-enamide::(E)-2-cyano-3-(3-methoxyanilino)-3-[(3-nitrophenyl)methylthio]-N-(thiophen-2-ylmethyl)-2-propenamide::(E)-2-cyano-3-(m-anisidino)-3-[(3-nitrobenzyl)thio]-N-(2-thenyl)acrylamide::(E)-2-cyano-3-[(3-methoxyphenyl)amino]-3-[(3-nitrophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)prop-2-enamide::MLS000583587::SMR000206773::cid_12004835

SMILES COc1cccc(c1)\[NH+]=C(/SCc1cccc(c1)[N+]([O-])=O)[C-](C#N)C(=O)NCc1cccs1

InChI Key InChIKey=DFDAIEWXENUDDZ-UHFFFAOYSA-O

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 72205   

TargetHeat shock factor protein 1(Mouse)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM72205(MLS000583587 | (E)-2-cyano-3-(3-methoxyanilino)-3-...)
Affinity DataEC50: >2.60E+5nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay