BDBM50325702 (S)-2-((4R,5R)-5-(2-(1H-indol-3-yl)ethylcarbamoyl)-1,3-dioxolane-4-carboxamido)-3-(4-(2,6-dichlorobenzyloxy)phenyl)propanoic acid::CHEMBL1224184

SMILES OC(=O)[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)NCCc1c[nH]c2ccccc12

InChI Key InChIKey=WSLYGTJBLAWGMH-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 = 50325702   

TargetIntegrin alpha-4(Human)
New Drug Discovery Research

Curated by ChEMBL
LigandPNGBDBM50325702((S)-2-((4R,5R)-5-(2-(1H-indol-3-yl)ethylcarbamoyl)...)
Affinity DataIC50: 600nMAssay Description:Displacement of VCAM1 from VLA4 receptor in human U937 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2011
Entry Details Article
PubMed