BDBM48245 (E)-3-(2-methoxy-4-nitro-anilino)-1-(2-thienyl)prop-2-en-1-one::(E)-3-(2-methoxy-4-nitroanilino)-1-thiophen-2-yl-2-propen-1-one::(E)-3-(2-methoxy-4-nitroanilino)-1-thiophen-2-ylprop-2-en-1-one::(E)-3-[(2-methoxy-4-nitro-phenyl)amino]-1-thiophen-2-yl-prop-2-en-1-one::3-[(2-methoxy-4-nitrophenyl)amino]-1-(2-thienyl)-2-propen-1-one::MLS000537797::SMR000144035::cid_5739690

SMILES COc1cc(ccc1N=CCC(=O)c1cccs1)[N+]([O-])=O

InChI Key InChIKey=MALRTWANLNTZPJ-UHFFFAOYSA-N

Data  4 IC50  3 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 7 hits for monomerid = 48245   

TargetMatrix metalloproteinase-14 [1-36](Homo sapiens (Human))
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM48245((E)-3-(2-methoxy-4-nitro-anilino)-1-(2-thienyl)pro...)
Affinity DataEC50:  2.05E+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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetSentrin-specific protease 8(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM48245((E)-3-(2-methoxy-4-nitro-anilino)-1-(2-thienyl)pro...)
Affinity DataIC50:  2.62E+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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetSentrin-specific protease 8(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM48245((E)-3-(2-methoxy-4-nitro-anilino)-1-(2-thienyl)pro...)
Affinity DataIC50:  458nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM48245((E)-3-(2-methoxy-4-nitro-anilino)-1-(2-thienyl)pro...)
Affinity DataEC50:  6.75E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetCaspase-3(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM48245((E)-3-(2-methoxy-4-nitro-anilino)-1-(2-thienyl)pro...)
Affinity DataIC50:  1.53E+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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetNuclear hormone receptor family member daf-12(Caenorhabditis elegans)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM48245((E)-3-(2-methoxy-4-nitro-anilino)-1-(2-thienyl)pro...)
Affinity DataEC50:  6.75E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetSentrin-specific protease 6(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM48245((E)-3-(2-methoxy-4-nitro-anilino)-1-(2-thienyl)pro...)
Affinity DataIC50:  1.15E+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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay