BDBM50087597 2-[1-benzyl-2-oxo-(5S)-dihydro-1H-5-pyrrolylcarboxamido]-3-[4-(4-nitrophenylsulfonamido)phenyl]-(2S)-propanoic acid::CHEMBL162120

SMILES OC(=O)[C@H](Cc1ccc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1

InChI Key InChIKey=NBEMHTFXFAVVJX-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 = 50087597   

TargetIntegrin alpha-4/beta-1(Human)
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50087597(2-[1-benzyl-2-oxo-(5S)-dihydro-1H-5-pyrrolylcarbox...)
Affinity DataIC50: 17nMAssay Description:Antagonistic activity against VLA-4 (derived from ramos cells) binding to recombinant human VCAM by ELISA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article
PubMed
TargetIntegrin alpha-4/beta-1(Human)
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50087597(2-[1-benzyl-2-oxo-(5S)-dihydro-1H-5-pyrrolylcarbox...)
Affinity DataIC50: 1.60E+4nMAssay Description:Antagonistic activity against VLA-4 binding to recombinant human VCAM by ramos cell assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article
PubMed