BDBM50117540 2,2,3,3,4,4-Hexafluoro-pentanedioic acid mono-{2,6-di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydroxy-phenylsulfanyl)-1-methyl-ethylsulfanyl]-phenyl} ester::CHEMBL313781

SMILES CC(C)(C)c1cc(SC(C)(C)Sc2cc(c(OC(=O)C(F)(F)C(F)(F)C(F)(F)C(O)=O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C

InChI Key InChIKey=XBIMURZUBIFAHS-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 50117540   

TargetVascular cell adhesion protein 1(Human)
Atherogenics

Curated by ChEMBL
LigandPNGBDBM50117540(2,2,3,3,4,4-Hexafluoro-pentanedioic acid mono-{2,6...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of TNF-alpha inducible Vascular cell adhesion molecule-1 expression.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed