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-MDZDMXLPSA-N

Data  4 IC50  1 EC50

  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 5 hits for monomerid = 80068   

TargetBeta-galactosidase(Escherichia coli)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80068(MLS002693874 | SMR001559815 | [2-[3-(3-nitrophenyl...)
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 DepthDetails PCBioAssay
TargetC-C chemokine receptor type 6(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80068(MLS002693874 | SMR001559815 | [2-[3-(3-nitrophenyl...)
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 DepthDetails PCBioAssay
TargetReceptor-interacting serine/threonine-protein kinase 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM80068(MLS002693874 | SMR001559815 | [2-[3-(3-nitrophenyl...)
Affinity DataIC50:  3.40E+3nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM80068(MLS002693874 | SMR001559815 | [2-[3-(3-nitrophenyl...)
Affinity DataIC50: >4.97E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetOrotidine 5'-phosphate decarboxylase(Aspergillus niger)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM80068(MLS002693874 | SMR001559815 | [2-[3-(3-nitrophenyl...)
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 DepthDetails PCBioAssay