BDBM50312353 (S)-5-amino-4-(2-((6S,24aS,29aS,35S,38S,40aS)-6-(2-carboxyethyl)-10-(5-(3-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-yl)thioureido)pentanoyl)-38-((R)-1-hydroxyethyl)-35-methyl-5,8,24,29,34,37,40-heptaoxo-2,3,5,6,7,8,9,10,11,12,13,14,17,18,19,20,21,22,24a,25,26,27,29a,30,31,32,34,35,36,37,38,39,40,40a-tetratriacontahydrotripyrrolo[2,1-c:2',1'-f:2'',1''-o][1,4,7,10,13,16,19,22]octaazacyclotetratriacontin-23(1H,24H,29H)-yl)acetamido)-5-oxopentanoic acid::CHEMBL1075961

SMILES C[C@@H](O)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(O)=O)NC(=O)CN(CCCC\C=C\CCCCCCN(CC(=O)N[C@@H](CCC(O)=O)C(N)=O)C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O)C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31

InChI Key InChIKey=VEHHKZGIRIYIRS-UHFFFAOYSA-N

Data  1 Kd

  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 = 50312353   

TargetTumor susceptibility gene 101 protein(Human)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50312353((S)-5-amino-4-(2-((6S,24aS,29aS,35S,38S,40aS)-6-(2...)
Affinity DataKd:  3.40E+4nMAssay Description:Binding affinity to ubiquitin E2 variant domain of human Tsg101 by fluorescent anisotropyMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2010
Entry Details Article
PubMed