BDBM49541 (E)-2-(1H-benzimidazol-2-yl)-3-(5-methyl-2-thienyl)acrylonitrile::(E)-2-(1H-benzimidazol-2-yl)-3-(5-methyl-2-thiophenyl)-2-propenenitrile::(E)-2-(1H-benzimidazol-2-yl)-3-(5-methylthiophen-2-yl)prop-2-enenitrile::2-(1H-Benzoimidazol-2-yl)-3-(5-methyl-thiophen-2-yl)-acrylonitrile::MLS000568256::SMR000178508::cid_5738327

SMILES Cc1ccc(\C=C(/C#N)c2nc3ccccc3[nH]2)s1

InChI Key InChIKey=JTYKDXRADVCINF-UHFFFAOYSA-N

Data  2 IC50  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 3 hits for monomerid = 49541   

TargetTranscription factor p65(Human)
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM49541(SMR000178508 | (E)-2-(1H-benzimidazol-2-yl)-3-(5-m...)
Affinity DataEC50:  637nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetLethal factor(Bacillus anthracis)
Microbiotix

Curated by ChEMBL
LigandPNGBDBM49541(SMR000178508 | (E)-2-(1H-benzimidazol-2-yl)-3-(5-m...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of Bacillus anthracis lethal factor using MCA-KKVYPYPME[dnp]Kamide peptide substrate after 30 mins by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Microbiotix

Curated by ChEMBL
LigandPNGBDBM49541(SMR000178508 | (E)-2-(1H-benzimidazol-2-yl)-3-(5-m...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of Clostridium botulinum BoNT/A light chain-mediated SNAP-25 substrate cleavage after 40 mins by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMed