BDBM50312354 (S)-5-amino-4-(2-((6S,25aS,30aS,36S,39S,41aS)-6-(2-carboxyethyl)-10-(5-(3-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-yl)thioureido)pentanoyl)-39-((R)-1-hydroxyethyl)-36-methyl-5,8,25,30,35,38,41-heptaoxo-2,3,6,7,8,9,10,11,12,13,14,15,18,19,20,21,22,23,25a,26,27,28,30a,31,32,33-hexacosahydro-1H-tripyrrolo[2,1-c:2',1'-f:2'',1''-o][1,4,7,10,13,16,19,22]octaazacyclopentatriacontin-24(5H,25H,30H,35H,36H,37H,38H,39H,40H,41H,41aH)-yl)acetamido)-5-oxopentanoic acid::CHEMBL1075962

SMILES C[C@@H](O)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(O)=O)NC(=O)CN(CCCCC\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=VQPFYTIDNQOANQ-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 = 50312354   

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

Curated by ChEMBL
LigandPNGBDBM50312354((S)-5-amino-4-(2-((6S,25aS,30aS,36S,39S,41aS)-6-(2...)
Affinity DataKd:  3.50E+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