BDBM45626 3-[(5Z)-5-(2-fluorobenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]-N-(5-methylisoxazol-3-yl)propionamide::3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide::3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide::3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-N-(5-methyl-3-isoxazolyl)propanamide::3-[5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(5-methyl-3-isoxazolyl)propanamide::MLS000677150::SMR000270970::cid_2293496

SMILES Cc1cc(NC(=O)CCN2C(=S)S\C(=C/c3ccccc3F)C2=O)no1

InChI Key InChIKey=WMUORKDYODWSLK-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45626   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45626BDBM45626(SMR000270970 | MLS000677150 | 3-[(5Z)-5-[(2-fluoro...)
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