BDBM50428679 CHEMBL2332691

SMILES CCOC[C@@H]1CC[C@@H](CO[C@H]2CC[C@@H](CC2)C(O)=O)N1C(=O)Cc1ccc2nc(Nc3ccccc3C)oc2c1F

InChI Key InChIKey=JNFMPQWXZWILTQ-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 = 50428679   

TargetIntegrin alpha-4/beta-1(Human)
Daiichi Sankyo

Curated by ChEMBL
LigandPNGBDBM50428679(CHEMBL2332691)
Affinity DataIC50: 1.70nMAssay Description:Inhibition of Europium-labeled human VCAM1 binding to human VLA4 expressed in Chinese hamster 4B4 cells incubated for 60 mins by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetIntegrin alpha-4/beta-1(Human)
Daiichi Sankyo

Curated by ChEMBL
LigandPNGBDBM50428679(CHEMBL2332691)
Affinity DataIC50: 90nMAssay Description:Inhibition of Europium-labeled human VCAM1 binding to human VLA4 expressed in Chinese hamster 4B4 cells incubated for 60 mins in presence of 3% HSA b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed