BDBM50312343 3-((23S,25aS,30aS,36S,39S,41aS-21-(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)-39-((R)-1-hydroxyethyl)-36-methyl-5,22,25,30,35,38,41-heptaoxo-2,3,5,6,7,8,9,10,11,12,15,16,17,18,19,20,21,22,23,24,25,25a,26,27,28,30,30a,31,32,33,35,36,37,38,39,40,41,41a-octatriacontahydro-1H-tripyrrolo[1,2-d:1',2'-m:1'',2''-p][1,4,7,10,13,16,19,22]octaazacyclopentatriacontin-23-yl)propanoic acid::CHEMBL1075923

SMILES C[C@@H](O)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CN(CCCCC\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=JIZYAXGHZZFSCD-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 = 50312343   

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

Curated by ChEMBL
LigandPNGBDBM50312343(3-((23S,25aS,30aS,36S,39S,41aS-21-(2-amino-2-oxoet...)
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