BDBM45686 2-[(5Z)-4-keto-5-[(5-piperidino-2-furyl)methylene]-2-thioxo-thiazolidin-3-yl]acetic acid::2-[(5Z)-4-oxidanylidene-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid::2-[(5Z)-4-oxo-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid::2-[(5Z)-4-oxo-5-[[5-(1-piperidinyl)-2-furanyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]acetic acid::MLS000779190::SMR000415883::cid_1837692::{4-Oxo-5-[1-(5-piperidin-1-yl-furan-2-yl)-meth-(Z)-ylidene]-2-thioxo-thiazolidin-3-yl}-acetic acid

SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)N2CCCCC2)C1=O

InChI Key InChIKey=SWDYMRUGEGFTAP-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 45686   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45686BDBM45686(SMR000415883 | 2-[(5Z)-4-oxo-5-[[5-(1-piperidinyl)...)
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:
5/27/2011
Entry Details
PCBioAssay
TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45686BDBM45686(SMR000415883 | 2-[(5Z)-4-oxo-5-[[5-(1-piperidinyl)...)
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