BDBM221777 3-(6-{[(1r)-1- cyclobutylethyl]amino}- 8-[methyl(2- phenylethyl)amino]-7- [4- (trifluoromethyl)benzyl]- 7h-purin-2-yl)- 1,2,4-oxadiazol- 5(4h)-one::US9540377, 9.94

SMILES C[C@@H](Nc1nc(-c2coc(=O)[nH]2)nc2nc(N(C)CCc3ccccc3)n(Cc3ccc(C(F)(F)F)cc3)c12)C1CCC1

InChI Key InChIKey=KLEWJIRKMDXLQZ-UHFFFAOYSA-N

Data  1 IC50

  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 = 221777   

TargetE3 ubiquitin-protein ligase Mdm2 [17-125](Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 221777BDBM221777(US9540377, 9.94 | 3-(6-{[(1r)-1- cyclobutylethyl]a...)
Affinity DataIC50: 96.7nMT: 2°CAssay Description:An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2018
Entry Details
US Patent