BDBM50312322 (S)-5-amino-4-(2-((3aS,8aS,21aS,24S,27S)-15-((S)-1-(5-(3-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-yl)thioureido)pentanoyl)pyrrolidine-2-carbonyl)-24-((R)-1-hydroxyethyl)-27-methyl-4,9,17,22,25,28-hexaoxo-2,3,3a,4,7,8,8a,9,14,15,16,17,20,21,21a,22,23,24,25,26,27,28-docosahydro-1H-tripyrrolo[2,1-c:2',1'-f:2'',1''-o][1,4,7,10,13,16,19]heptaazacyclotricosin-10(6H,11H,19H)-yl)acetamido)-5-oxopentanoic acid::CHEMBL1075941

SMILES C[C@@H](O)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CN(C\C=C/CN(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=UIMUQCMTGDGRBP-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 = 50312322   

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

Curated by ChEMBL
LigandPNGBDBM50312322((S)-5-amino-4-(2-((3aS,8aS,21aS,24S,27S)-15-((S)-1...)
Affinity DataKd:  2.18E+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