BDBM54111 2-[(5Z)-5-(2,5-dimethoxybenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]-2-phenyl-acetic acid::2-[(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenyl-ethanoic acid::2-[(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid::2-[(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-2-phenylacetic acid::MLS001043289::SMR000415018::cid_5773351::{5-[1-(2,5-Dimethoxy-phenyl)-meth-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-phenyl-acetic acid

SMILES COc1ccc(OC)c(\C=C2/SC(=S)N(C(C(O)=O)c3ccccc3)C2=O)c1

InChI Key InChIKey=DPRQAHPQYRUTPT-UHFFFAOYSA-N

Data  2 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 54111   

TargetM1 family aminopeptidase(Plasmodium falciparum (isolate FcB1 / Columbia))
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM54111(2-[(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo...)
Affinity DataIC50: 1.21E+4nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2011
Entry Details
PCBioAssay
TargetProcathepsin L(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM54111(2-[(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo...)
Affinity DataIC50: 5.96E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetAlbumin(Human)
Cnrs-Cpbs/Umr 5236

Curated by ChEMBL
LigandPNGBDBM54111(2-[(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo...)
Affinity DataKd:  1.20E+4nMAssay Description:Binding affinity to first site on human serum albumin by SPRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2013
Entry Details Article
PubMed