BDBM50090113 (S)-2-(2-Hydroxy-5-nitro-benzylamino)-N-(3-methyl-butyl)-3-phenyl-propionamide::CHEMBL38133

SMILES CC(C)CCNC(=O)[C@H](Cc1ccccc1)NCc1cc(ccc1O)[N+]([O-])=O

InChI Key InChIKey=XNJFAHNSBMXYTD-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 = 50090113   

TargetIntegrin alpha-4/beta-7(Human)
Millennium Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50090113((S)-2-(2-Hydroxy-5-nitro-benzylamino)-N-(3-methyl-...)
Affinity DataIC50: 6.00E+3nMAssay Description:Inhibition of alpha-4 beta7/MAdCAM mediated cell adhesion was evaluated using B-cell lymphoma RPMI 8866 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed