BDBM46573 5-nitro-2-thiophenecarboxylic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester::5-nitrothiophene-2-carboxylic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester::MLS000417203::SMR000264453::[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate::[2-(1H-indol-3-yl)-2-oxoethyl] 5-nitrothiophene-2-carboxylate::cid_2472581

SMILES [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)c1c[nH]c2ccccc12

InChI Key InChIKey=FDHJASVIEYCSCZ-UHFFFAOYSA-N

Data  2 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 3 hits for monomerid = 46573   

TargetMitochondrial peptide methionine sulfoxide reductase(Bovine)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46573(SMR000264453 | cid_2472581 | 5-nitro-2-thiopheneca...)
Affinity DataEC50:  3.64E+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
In Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay
TargetTransitional endoplasmic reticulum ATPase(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46573(SMR000264453 | cid_2472581 | 5-nitro-2-thiopheneca...)
Affinity DataIC50: 5.00E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetTransitional endoplasmic reticulum ATPase(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46573(SMR000264453 | cid_2472581 | 5-nitro-2-thiopheneca...)
Affinity DataIC50: 5.00E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay