BDBM50134700 (S)-4-(Benzenesulfonyl-methyl-amino)-4-{(S)-1-carboxy-2-[4-(2,6-dichloro-benzyloxy)-phenyl]-ethylcarbamoyl}-butyric acid::CHEMBL338417

SMILES CN([C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(O)=O)S(=O)(=O)c1ccccc1

InChI Key InChIKey=KLRZAJNROFRNBT-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 = 50134700   

TargetIntegrin alpha-4/beta-1(Human)
Molecumetics

Curated by ChEMBL
LigandPNGBDBM50134700((S)-4-(Benzenesulfonyl-methyl-amino)-4-{(S)-1-carb...)
Affinity DataIC50: 0.100nMAssay Description:Inhibition of CS-1 fragment binding to Very late antigen 4 (VLA-4) expressed in Ramos cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article
PubMed
TargetIntegrin alpha-4/beta-1(Human)
Molecumetics

Curated by ChEMBL
LigandPNGBDBM50134700((S)-4-(Benzenesulfonyl-methyl-amino)-4-{(S)-1-carb...)
Affinity DataIC50: 2nMAssay Description:Inhibition of CS-1 fragment binding to Very late antigen 4 expressed in Ramos cells in 10% fetal bovine serum(FBS)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article
PubMed