BDBM50089030 (4R,12R)-12-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7,7-diethyl-6,11-dioxo-1,2-dithia-5,10-diaza-cyclotridecane-4-carboxylic acid::CHEMBL276353

SMILES CCC1(CC)CCNC(=O)[C@H](CSSC[C@H](NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1

InChI Key InChIKey=RQWHAASFVALSEJ-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 = 50089030   

TargetIntegrin alpha-4(Human)
Roche Research Center

Curated by ChEMBL
LigandPNGBDBM50089030((4R,12R)-12-[(S)-2-Amino-3-(4-hydroxy-phenyl)-prop...)
Affinity DataIC50: 3.90nMAssay Description:Inhibition of VLA-4 binding to recombinant human VCAM using Ramos cell assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed