BDBM40464 3-[(2Z)-2-(3-ethyl-4-keto-2-thioxo-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid;triethylamine::3-[(2Z)-2-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonic acid::CHEMBL473327::MLS000047713::N,N-diethylethanamine;3-[(2Z)-2-(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid::N,N-diethylethanamine;3-[(2Z)-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid::N,N-diethylethanamine;3-[(2Z)-2-(3-ethyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)-1,3-benzothiazol-3-yl]-1-propanesulfonic acid::SMR000033722::cid_3236107::cid_3236108

SMILES CCN1C(=S)S\C(C1=O)=C1/Sc2ccccc2N1CCCS(O)(=O)=O

InChI Key InChIKey=ZHNBFYMZDUSWSL-UHFFFAOYSA-N

Data  3 IC50  1 EC50

  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 4 hits for monomerid = 40464   

TargetCollagenase 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40464(MLS000047713 | N,N-diethylethanamine;3-[(2Z)-2-(3-...)
Affinity DataIC50: 1.20E+4nMAssay Description:Source (MLSCN 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:
5/6/2011
Entry Details
PCBioAssay
TargetCollagenase 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40464(MLS000047713 | N,N-diethylethanamine;3-[(2Z)-2-(3-...)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of human recombinant MMP13 expressed in Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2012
Entry Details Article
PubMed
TargetImportin subunit alpha-1(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM40464(MLS000047713 | N,N-diethylethanamine;3-[(2Z)-2-(3-...)
Affinity DataEC50:  1.50E+4nMAssay Description:Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2011
Entry Details
PCBioAssay
TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM40464(MLS000047713 | N,N-diethylethanamine;3-[(2Z)-2-(3-...)
Affinity DataIC50: 5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/8/2011
Entry Details
PCBioAssay