BDBM221726 3-(6-{[(1r)-1- cyclobutylethyl]amino}- 7-[3-fluoro-4- (trifluoromethyl)benzyl]- 8-[methyl(1- phenylpropyl)amino]- 7h-purin-2-yl)-1,2,4- oxadiazol-5(4h)-one::US9540377, 9.71

SMILES CCC(c1ccccc1)N(C)c1nc2nc(-c3noc(=O)[nH]3)nc(N[C@H](C)C3CCC3)c2n1Cc1ccc(C(F)(F)F)c(F)c1

InChI Key InChIKey=ZPGZTBRRECNURD-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 = 221726   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 221726BDBM221726(US9540377, 9.71 | 3-(6-{[(1r)-1- cyclobutylethyl]a...)
Affinity DataIC50: 18.1nMT: 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