BDBM50326703 (5S,8S,11S,14S,17S,20S,23S,26S,29S)-5-acetamido-1-(2-carboxy-4-(dimethylamino)phenyl)-8-(3-guanidinopropyl)-11-(hydroxymethyl)-17,20,23,26,31-pentamethyl-14-(2-(methylthio)ethyl)-2,6,9,12,15,18,21,24,27-nonaoxo-3,7,10,13,16,19,22,25,28-nonaazadotriacontane-29-carboxylic acid::CHEMBL1253327

SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)-[#6]-c1ccc(cc1-[#6](-[#8])=O)-[#7](-[#6])-[#6])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O

InChI Key InChIKey=CFIQOGTVKHTRJT-YJQLAELQSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50326703   

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

Curated by ChEMBL
LigandPNGBDBM50326703((5S,8S,11S,14S,17S,20S,23S,26S,29S)-5-acetamido-1-...)
Affinity DataIC50:  28nMAssay 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 DepthDetails ArticlePubMed