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 [#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](-[#7])-[#6]-[#7]-1-[#6](=O)-c2cc3ccc(cc3cc2-[#6]-1=O)-[#7](-[#6])-[#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](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O

InChI Key InChIKey=CGJGYKMDCCYHPJ-VRKXYQOASA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50326698   

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

Curated by ChEMBL
LigandPNGBDBM50326698((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 DepthDetails ArticlePubMed
TargetMHC class II antigen(Homo sapiens (Human))
University Of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50326698((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 DepthDetails ArticlePubMed