BDBM80068 MLS002693874::SMR001559815::[2-[3-(3-nitrophenyl)prop-2-enoyl]phenyl] acetate::[2-[3-(3-nitrophenyl)prop-2-enoyl]phenyl] ethanoate::acetic acid [2-[3-(3-nitrophenyl)-1-oxoprop-2-enyl]phenyl] ester::acetic acid [2-[3-(3-nitrophenyl)acryloyl]phenyl] ester::cid_252247

SMILES CC(=O)Oc1ccccc1C(=O)\C=C\c1cccc(c1)[N+]([O-])=O

InChI Key InChIKey=KHTNQYZKWWXHER-UHFFFAOYSA-N

Data  4 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 80068   

TargetReceptor-interacting serine/threonine-protein kinase 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM80068(MLS002693874 | cid_252247 | [2-[3-(3-nitrophenyl)p...)
Affinity DataIC50: 3.40E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2013
Entry Details
PCBioAssay
TargetC-C chemokine receptor type 6(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80068(MLS002693874 | cid_252247 | [2-[3-(3-nitrophenyl)p...)
Affinity DataIC50: 2.40E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM80068(MLS002693874 | cid_252247 | [2-[3-(3-nitrophenyl)p...)
Affinity DataIC50: 4.97E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2013
Entry Details
PCBioAssay
TargetOrotidine 5'-phosphate decarboxylase(Aspergillus niger)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM80068(MLS002693874 | cid_252247 | [2-[3-(3-nitrophenyl)p...)
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
TargetBeta-galactosidase(Escherichia coli)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80068(MLS002693874 | cid_252247 | [2-[3-(3-nitrophenyl)p...)
Affinity DataIC50: 6.66E+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