BDBM50019 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-3-oxidanylidene-butanenitrile::2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-3-oxobutanenitrile::2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]-3-keto-butyronitrile::2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]-3-oxobutanenitrile::MLS000057091::SMR000064178::cid_5643743

SMILES Cc1cc(C)n2c(SCC(=O)C(C#N)c3nc4ccccc4[nH]3)nnc2n1

InChI Key InChIKey=KLZZBNOXYHEURB-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50019   

LigandPNGBDBM50019(2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(5,7-dime...)
Affinity DataIC50: 1.15E+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
LigandPNGBDBM50019(2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(5,7-dime...)
Affinity DataIC50: 5.01E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2012
Entry Details
PCBioAssay
TargetGlycoprotein 42(HHV-4)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM50019(2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(5,7-dime...)
Affinity DataIC50: 9.80E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetCore protein(Hepacivirus C)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50019(2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(5,7-dime...)
Affinity DataIC50: 4.98E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay