BDBM224212 3-{6-(5- chloropyridin-3-yl)- 7-[(trans-4- methylcyclohexyl) methyl]-8-[(cis)- octahydro-4h-1,4- benzoxazin-4-yl]-7h- purin-2-yl}-1,2,4- oxadiazol-5(4h)-one (racemate)::US9540377, 16.131

SMILES C[C@H]1CC[C@H](Cn2c(N3CCOC4CCCCC43)nc3nc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1

InChI Key InChIKey=PPNAAEISNSMFCY-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 = 224212   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 224212BDBM224212(US9540377, 16.131 | 3-{6-(5- chloropyridin-3-yl)- ...)
Affinity DataIC50: 35.0nMT: 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