BDBM50312348 3,3'-((6S,29S,31aS,36aS,42S,45S,47aS)-27-(2-amino-2-oxoethyl)-10-(5-(3-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-yl)thioureido)pentanoyl)-45-((R)-1-hydroxyethyl)-42-methyl-5,8,28,31,36,41,44,47-octaoxo-2,3,5,6,7,8,9,10,11,12,13,14,15,18,19,20,21,22,23,24,25,26,27,28,29,30,31,31a,32,33,34,36,36a,37,38,39,41,42,43,44,45,46,47,47a-tetratetracontahydro-1H-tripyrrolo[2,1-f:2',1'-i:2'',1''-r][1,4,7,10,13,16,19,22,25]nonaazacyclohentetracontine-6,29-diyl)dipropanoic acid::CHEMBL1075919

SMILES C[C@@H](O)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(O)=O)NC(=O)CN(CCCCCC=CCCCCCCCCCN(CC(N)=O)C(=O)[C@H](CCC(O)=O)NC(=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=STWNJYLRGSUZQG-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 = 50312348   

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

Curated by ChEMBL
LigandPNGBDBM50312348(3,3'-((6S,29S,31aS,36aS,42S,45S,47aS)-27-(2-amino-...)
Affinity DataKd:  3.20E+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