BDBM57782 4-[(3-allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxy-3-nitrophenyl acetate::MLS000663880::SMR000292408::[2-ethoxy-3-nitro-4-[(Z)-(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] ethanoate::[2-ethoxy-3-nitro-4-[(Z)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] acetate::acetic acid [2-ethoxy-3-nitro-4-[(Z)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester::acetic acid [4-[(Z)-(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-ethoxy-3-nitro-phenyl] ester::cid_2191297

SMILES CCOc1c(OC(C)=O)ccc(\C=C2/SC(=S)N(CC=C)C2=O)c1[N+]([O-])=O

InChI Key InChIKey=NZIHRACITJCKQT-UHFFFAOYSA-N

Data  3 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 6 hits for monomerid = 57782   

TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM57782([2-ethoxy-3-nitro-4-[(Z)-(4-oxidanylidene-3-prop-2...)
Affinity DataIC50: 5.24E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM57782([2-ethoxy-3-nitro-4-[(Z)-(4-oxidanylidene-3-prop-2...)
Affinity DataIC50: 5.24E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM57782([2-ethoxy-3-nitro-4-[(Z)-(4-oxidanylidene-3-prop-2...)
Affinity DataIC50: 8.05E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetNeuropeptide Y receptor type 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM57782([2-ethoxy-3-nitro-4-[(Z)-(4-oxidanylidene-3-prop-2...)
Affinity DataEC50:  1.48E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetNeuropeptide Y receptor type 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM57782([2-ethoxy-3-nitro-4-[(Z)-(4-oxidanylidene-3-prop-2...)
Affinity DataEC50:  1.84E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM57782([2-ethoxy-3-nitro-4-[(Z)-(4-oxidanylidene-3-prop-2...)
Affinity DataEC50:  1.50E+5nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/8/2011
Entry Details
PCBioAssay