BDBM50326704 (4S,7S,10S,13S,16S,19S,22S,25S,28S)-4-acetamido-1-(3-carboxy-7-(dimethylamino)naphthalen-2-yl)-7-(3-guanidinopropyl)-10-(hydroxymethyl)-16,19,22,25,30-pentamethyl-13-(2-(methylthio)ethyl)-1,5,8,11,14,17,20,23,26-nonaoxo-2,6,9,12,15,18,21,24,27-nonaazahentriacontane-28-carboxylic acid::CHEMBL1253321

SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CNC(=O)c1cc2cc(N(C)C)ccc2cc1C(=O)O)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O

InChI Key InChIKey=JYFXOTMWQPVSGU-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 = 50326704   

TargetMHC class II antigen(Human)
University of Massachusetts Medical School

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326704BDBM50326704((4S,7S,10S,13S,16S,19S,22S,25S,28S)-4-acetamido-1-...)
Affinity DataIC50: 27nMAssay Description:Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells at acidic pH by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed