BDBM50694 4-[(Z)-2-Bromo-3-phenyl-prop-2-en-(E)-ylideneamino]-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3- thiol::4-[[(Z)-2-bromanyl-3-phenyl-prop-2-enylidene]amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione::4-[[(Z)-2-bromo-3-phenyl-prop-2-enylidene]amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione::4-[[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione::MLS000762688::SMR000438132::cid_1636145

SMILES BrC(C=Nn1c(n[nH]c1=S)-c1cc([nH]n1)-c1ccccc1)=Cc1ccccc1

InChI Key InChIKey=YIORIQKCVIHNAN-UHFFFAOYSA-N

Data  1 IC50  2 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 3 hits for monomerid = 50694   

TargetHeat shock factor protein 1(Mouse)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM50694(4-[[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-...)
Affinity DataEC50:  2.66E+3nMAssay 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
LigandPNGBDBM50694(4-[[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-...)
Affinity DataIC50: 4.97E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetOrotidine 5'-phosphate decarboxylase(Aspergillus niger)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50694(4-[[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-...)
Affinity DataEC50: >5.96E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay