BDBM50312317 3,3'-((6S,19S,21aS,26aS,32S,35S,37aS,Z)-17-(2-amino-2-oxoethyl)-10-(5-(3-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-yl)thioureido)pentanoyl)-35-((R)-1-hydroxyethyl)-32-methyl-5,8,18,21,26,31,34,37-octaoxo-2,3,5,6,7,8,9,10,11,12,13,16,17,18,19,20,21,21a,22,23,24,26,26a,27,28,29,31,32,33,34,35,36,37,37a-tetratriacontahydro-1H-tripyrrolo[2,1-f:2',1'-i:2'',1''-r][1,4,7,10,13,16,19,22,25]nonaazacyclohentriacontine-6,19-diyl)dipropanoic acid::CHEMBL1075929

SMILES C[C@@H](O)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(O)=O)NC(=O)CN(CCC\C=C/CN(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=KGGWCEAKHGEIRY-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 = 50312317   

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

Curated by ChEMBL
LigandPNGBDBM50312317(3,3'-((6S,19S,21aS,26aS,32S,35S,37aS,Z)-17-(2-amin...)
Affinity DataKd: >5.00E+5nMAssay 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