BDBM50471 (2Z,3E)-3-(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-(5-methyl-1,3-dihydrobenzimidazol-2-ylidene)propanenitrile::(2Z,3E)-3-(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)-2-(5-methyl-1,3-dihydrobenzimidazol-2-ylidene)propanenitrile::(2Z,3E)-3-(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)-2-(5-methyl-1,3-dihydrobenzimidazol-2-ylidene)propanenitrile::(2Z,3E)-3-(4-keto-3-methoxy-5-nitro-cyclohexa-2,5-dien-1-ylidene)-2-(5-methyl-1,3-dihydrobenzimidazol-2-ylidene)propionitrile::3-{4-hydroxy-3-nitro-5-methoxyphenyl}-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile::MLS000700873::SMR000231235::cid_6529412

SMILES COc1c[c-](\C=C(/C#N)c2[nH]c3cc(C)ccc3[nH+]2)cc([N+]([O-])=O)c1=O

InChI Key InChIKey=PJCYGYHZJMRWKK-UHFFFAOYSA-O

Data  4 IC50

  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 4 hits for monomerid = 50471   

LigandPNGBDBM50471((2Z,3E)-3-(3-methoxy-5-nitro-4-oxocyclohexa-2,5-di...)
Affinity DataIC50: 3.58E+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
TargetHexokinase HKDC1 [W721R](Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50471((2Z,3E)-3-(3-methoxy-5-nitro-4-oxocyclohexa-2,5-di...)
Affinity DataIC50: 1.61E+4nMAssay 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:
8/3/2011
Entry Details
PCBioAssay
TargetM1 family aminopeptidase(Plasmodium falciparum (isolate FcB1 / Columbia))
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM50471((2Z,3E)-3-(3-methoxy-5-nitro-4-oxocyclohexa-2,5-di...)
Affinity DataIC50: 1.62E+4nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2011
Entry Details
PCBioAssay
TargetHexokinase HKDC1 [W721R](Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50471((2Z,3E)-3-(3-methoxy-5-nitro-4-oxocyclohexa-2,5-di...)
Affinity DataIC50: 1.80E+4nMAssay 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:
8/4/2011
Entry Details
PCBioAssay