BDBM50087624 2-[1-benzyl-2-oxo-(5S)-dihydro-1H-5-pyrrolylcarboxamido]-3-{4-[2-(4-hydroxyphenyl)-1-methylcarboxamido-(1R)-ethylcarboxamido]phenyl}-(2S)-propanoic acid::CHEMBL348792

SMILES CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C(O)=O)cc1

InChI Key InChIKey=NCNWVDNQQKXAAM-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50087624   

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

Curated by ChEMBL
LigandPNGBDBM50087624(2-[1-benzyl-2-oxo-(5S)-dihydro-1H-5-pyrrolylcarbox...)
Affinity DataIC50: 5.30nMAssay 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