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 [#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)-c1cc2cc(ccc2cc1-[#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=VQDVIMZHWHHIRU-SYCXMYCVSA-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 = 50326704   

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

Curated by ChEMBL
LigandPNGBDBM50326704((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 DepthDetails ArticlePubMed