BDBM50326702 (2S,5S,8S,11S,14S,17S,20S,23S)-23-(2-amino-3-(5-(dimethylamino)-1,3-dioxoisoindolin-2-yl)propanamido)-8,14-bis(4-aminobutyl)-11,17-bis(carboxymethyl)-2-(3-guanidinopropyl)-20-((R)-1-hydroxyethyl)-5-(hydroxymethyl)-4,7,10,13,16,19,22-heptaoxo-3,6,9,12,15,18,21-heptaazahexacosane-1,26-dioic acid::CHEMBL1253326

SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#7]-1-[#6](=O)-c2ccc(cc2-[#6]-1=O)-[#7](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O

InChI Key InChIKey=FKMVEOBIXPHHST-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50326702   

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

Curated by ChEMBL
LigandPNGBDBM50326702((2S,5S,8S,11S,14S,17S,20S,23S)-23-(2-amino-3-(5-(d...)
Affinity DataIC50: 1.00E+4nMAssay 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