BDBM50325994 (2S,2'S,2''S)-N,N',N''-((4S,4'S,4''S,7S,7'S,7''S)-20,20',20''-((2S,5R,8S,11R,14S,17R)-5,11,17-trimethyl-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexaazacyclooctadecane-2,8,14-triyl)tris(4,7-bis(4-hydroxybenzyl)-2,5,8,15-tetraoxo-3'',6'',9'',16''-tetraazaicosane-20,1-diyl))tris(2,6-diaminohexanamide)::CHEMBL1241017

SMILES C[C@H]1NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](N)CCCCN)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](N)CCCCN)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](N)CCCCN)NC1=O

InChI Key InChIKey=IJZLPDMLJGSJCC-UHFFFAOYSA-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 = 50325994   

TargetTumor necrosis factor receptor superfamily member 5(Human)
Institut De Biologie MoléCulaire Et Cellulaire

Curated by ChEMBL
LigandPNGBDBM50325994((2S,2'S,2''S)-N,N',N''-((4S,4'S,4''S,7S,7'S,7''S)-...)
Affinity DataIC50: 78nMAssay Description:Inhibition of recombinant human CD40L:mouse CD8 tail binding to human CD40 by surface plasmon resonance methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/10/2011
Entry Details Article
PubMed