BDBM50326697 (3S,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S)-18-(2-amino-2-oxoethyl)-1-((S)-1-((S)-2-amino-3-(5-(dimethylamino)-1,3-dioxoisoindolin-2-yl)propanoyl)pyrrolidin-2-yl)-15-(3-amino-3-oxopropyl)-3,12,27-tris(4-aminobutyl)-6-(4-hydroxybenzyl)-21,36-bis((R)-1-hydroxyethyl)-24,30-diisobutyl-9-isopropyl-33-methyl-1,4,7,10,13,16,19,22,25,28,31,34-dodecaoxo-2,5,8,11,14,17,20,23,26,29,32,35-dodecaazaheptatriacontan-37-oic acid::CHEMBL1253324

SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CN1C(=O)c2ccc(cc2C1=O)N(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O

InChI Key InChIKey=ZIKFNDGSWAGEOZ-WHRWCGRJSA-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 = 50326697   

TargetMHC class II antigen(Homo sapiens (Human))
University Of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50326697((3S,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S)-18-...)
Affinity DataIC50:  0.600nMAssay Description:Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed