BDBM50326698 (6S,9S,12S,15S,18S,21S,24S,27S)-1-amino-6-((S)-2-amino-3-(6-(dimethylamino)-1,3-dioxo-1H-benzo[f]isoindol-2(3H)-yl)propanamido)-9-(hydroxymethyl)-1-imino-15,18,21,24,29-pentamethyl-12-(2-(methylthio)ethyl)-7,10,13,16,19,22,25-heptaoxo-2,8,11,14,17,20,23,26-octaazatriacontane-27-carboxylic acid::CHEMBL1253323

SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CN1C(=O)c2cc3ccc(N(C)C)cc3cc2C1=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=NOPMQXLWOONREU-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50326698   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326698BDBM50326698((6S,9S,12S,15S,18S,21S,24S,27S)-1-amino-6-((S)-2-a...)
Affinity DataIC50: 11nMAssay 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
TargetMHC class II antigen(Human)
University of Massachusetts Medical School

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326698BDBM50326698((6S,9S,12S,15S,18S,21S,24S,27S)-1-amino-6-((S)-2-a...)
Affinity DataIC50: 11.5nMAssay Description:Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed