BDBM50312350 3,3'-((6S,22S,24aS,29aS,35S,38S,40aS)-20-(2-amino-2-oxoethyl)-10-(5-(3-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-yl)thioureido)pentanoyl)-38-((R)-1-hydroxyethyl)-35-methyl-5,8,21,24,29,34,37,40-octaoxo-1,2,3,5,6,7,8,9,10,11,14,15,16,17,18,19,20,21,22,23,24,24a,25,26,27,29,29a,30,31,32,34,35,36,37,38,39,40,40a-octatriacontahydrotripyrrolo[2,1-f:2',1'-i:2'',1''-r][1,4,7,10,13,16,19,22,25]nonaazacyclotetratriacontine-6,22-diyl)dipropanoic acid::CHEMBL1075957

SMILES C[C@@H](O)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(O)=O)NC(=O)CN(CC=CCCCCCCN(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=VDFASDBUKPESAG-UHFFFAOYSA-N

Data  1 Kd

  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 = 50312350   

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

Curated by ChEMBL
LigandPNGBDBM50312350(3,3'-((6S,22S,24aS,29aS,35S,38S,40aS)-20-(2-amino-...)
Affinity DataKd:  6.50E+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