BDBM224250 3-{6-(3- methylcyclohexyl)-7- [(trans-4- methylcyclohexyl) methyl]-8-[(3r)-3- phenylmorpholin-4- yl]-7h-purin-2-yl}- 1,2,4-oxadiazol- 5(4h)-one (mixture of diastereomers)::US9540377, 16.169

SMILES CC1CCCC(c2nc(-c3noc(=O)[nH]3)nc3nc(N4CCOC[C@H]4c4ccccc4)n(C[C@H]4CC[C@H](C)CC4)c23)C1

InChI Key InChIKey=YXBJPWBCJWFLST-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 = 224250   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 224250BDBM224250(US9540377, 16.169 | 3-{6-(3- methylcyclohexyl)-7- ...)
Affinity DataIC50: 2.53nMT: 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