BDBM50312355 3-((21S,23aS,28aS,34S,37S,39aS)-19-(2-amino-2-oxoethyl)-7-((S)-1-(5-(3-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-yl)thioureido)pentanoyl)pyrrolidine-2-carbonyl)-37-((R)-1-hydroxyethyl)-34-methyl-5,20,23,28,33,36,39-heptaoxo-2,3,5,6,7,8,9,10,13,14,15,16,17,18,19,20,21,22,23,23a,24,25,26,28,28a,29,30,31,33,34,35,36,37,38,39,39a-hexatriacontahydro-1H-tripyrrolo[1,2-d:1',2'-m:1'',2''-p][1,4,7,10,13,16,19,22]octaazacyclotritriacontin-21-yl)propanoic acid::CHEMBL1075963

SMILES C[C@@H](O)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CN(CCC\C=C/CCCCCCN(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)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31

InChI Key InChIKey=VUSKBKKHKZCGNR-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 = 50312355   

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

Curated by ChEMBL
LigandPNGBDBM50312355(3-((21S,23aS,28aS,34S,37S,39aS)-19-(2-amino-2-oxoe...)
Affinity DataKd:  3.30E+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