BDBM223688 3-(6-{[(1r)-1- cyclobutylethyl]amino}- 8-(3- methoxypyrrolidin- 1-yl)-7-[(trans-4- methylcyclohexyl) methyl]-7h-purin-2- yl)-1,2,4-oxadiazol- 5(2h)-one::US9540377, 11.114

SMILES COC1CCN(c2nc3nc(-c4noc(=O)[nH]4)nc(N[C@H](C)C4CCC4)c3n2C[C@H]2CC[C@H](C)CC2)C1

InChI Key InChIKey=IIIHZYOKMPGCGI-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 = 223688   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 223688BDBM223688(US9540377, 11.114 | 3-(6-{[(1r)-1- cyclobutylethyl...)
Affinity DataIC50: 53.0nMT: 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