BDBM33459 (Z)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(3-nitro-4-piperidin-1-yl-phenyl)prop-2-enenitrile::(Z)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-enenitrile::(Z)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(3-nitro-4-piperidino-phenyl)acrylonitrile::(Z)-2-(6-methyl-1H-benzimidazol-2-yl)-3-[3-nitro-4-(1-piperidinyl)phenyl]-2-propenenitrile::2-(5-methyl-1H-benzimidazol-2-yl)-3-[3-nitro-4-(1-piperidinyl)phenyl]acrylonitrile::MLS000533042::SMR000140480::cid_5340140

SMILES Cc1ccc2nc([nH]c2c1)C(=Cc1ccc(N2CCCCC2)c(c1)[N+]([O-])=O)C#N

InChI Key InChIKey=WLPODNUCECUFHZ-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 33459   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33459(MLS000533042 | 2-(5-methyl-1H-benzimidazol-2-yl)-3...)
Affinity DataIC50: 1.02E+3nMpH: 7.4 T: 2°CAssay Description:HTS was performed on a total of 33,068 compounds of the MLSCN library, 23,017 of which were not in the mixture HTS plates used previously. These comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/9/2009
Entry Details
PCBioAssay
LigandPNGBDBM33459(MLS000533042 | 2-(5-methyl-1H-benzimidazol-2-yl)-3...)
Affinity DataIC50: 2.45E+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
TargetEstrogen receptor(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM33459(MLS000533042 | 2-(5-methyl-1H-benzimidazol-2-yl)-3...)
Affinity DataIC50: 4.23E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2011
Entry Details
PCBioAssay