BDBM50312342 3-((24S,26aS,31aS,37S,40S,42aS)-22-(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)-40-((R)-1-hydroxyethyl)-37-methyl-5,23,26,31,36,39,42-heptaoxo-1,2,3,5,6,7,8,9,10,11,12,13,16,17,18,19,20,21,22,23,24,25,26,26a,27,28,29,31,31a,32,33,34,36,37,38,39,40,41,42,42a-tetracontahydrotripyrrolo[1,2-d:1',2'-m:1'',2''-p][1,4,7,10,13,16,19,22]octaazacyclohexatriacontin-24-yl)propanoic acid::CHEMBL1075924

SMILES C[C@@H](O)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CN(CCCCCC\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=JAQADUPVANHTHB-RNRWQAIHSA-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 = 50312342   

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

Curated by ChEMBL
LigandPNGBDBM50312342(3-((24S,26aS,31aS,37S,40S,42aS)-22-(2-amino-2-oxoe...)
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 DepthDetails ArticlePubMed