BDBM50312359 (S)-5-amino-4-(2-((21aS,26aS,32S,35S,37aS)-7-((S)-1-(5-(3-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-yl)thioureido)pentanoyl)pyrrolidine-2-carbonyl)-35-((R)-1-hydroxyethyl)-32-methyl-5,21,26,31,34,37-hexaoxo-2,3,6,7,8,9,10,11,14,15,16,17,18,19,21a,22,23,24,26a,27,28,29-docosahydro-1H-tripyrrolo[2,1-c:2',1'-f:2'',1''-o][1,4,7,10,13,16,19]heptaazacyclohentriacontin-20(5H,21H,26H,31H,32H,33H,34H,35H,36H,37H,37aH)-yl)acetamido)-5-oxopentanoic acid::CHEMBL1075967

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

InChI Key InChIKey=UPELRNWKEZCUGW-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 = 50312359   

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

Curated by ChEMBL
LigandPNGBDBM50312359((S)-5-amino-4-(2-((21aS,26aS,32S,35S,37aS)-7-((S)-...)
Affinity DataKd:  3.10E+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