BDBM32741 (2E)-2-[5-(4-ethylbenzyl)-4-keto-thiazolidin-2-ylidene]-3-keto-butyronitrile::(2E)-2-[5-[(4-ethylphenyl)methyl]-4-oxidanylidene-1,3-thiazolidin-2-ylidene]-3-oxidanylidene-butanenitrile::(2E)-2-[5-[(4-ethylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile::(2E)-2-[5-[(4-ethylphenyl)methyl]-4-oxo-2-thiazolidinylidene]-3-oxobutanenitrile::2-[5-(4-Ethyl-benzyl)-4-oxo-thiazolidin-(2E)-ylidene]-3-oxo-butyronitrile::MLS000556531::SMR000147848::cid_6292469

SMILES CCc1ccc(CC2SC(NC2=O)=C(C#N)C(C)=O)cc1

InChI Key InChIKey=IEPIEQKNJGOACF-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 32741   

TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32741((2E)-2-[5-[(4-ethylphenyl)methyl]-4-oxo-2-thiazoli...)
Affinity DataIC50: 5.00E+4nMpH: 7.4 T: 2°CAssay Description:Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2009
Entry Details
PCBioAssay
TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32741((2E)-2-[5-[(4-ethylphenyl)methyl]-4-oxo-2-thiazoli...)
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:
4/30/2011
Entry Details
PCBioAssay