BDBM221472 3-{7-(4-chloro-3- fluorobenzyl)-6- {[(1r)-1- cyclobutylethyl]amino}- 8-[(3r)-3- phenylmorpholin-4- yl]-7h-purin-2-yl}- 1,2,4-oxadiazol- 5(4h)-one::US9540377, 9.4

SMILES C[C@@H](Nc1nc(-c2noc(=O)[nH]2)nc2nc(N3CCOC[C@H]3c3ccccc3)n(Cc3ccc(Cl)c(F)c3)c12)C1CCC1

InChI Key InChIKey=WNTSSWMQMGJUBQ-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 221472   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 221472BDBM221472(US9540377, 9.4 | 3-{7-(4-chloro-3- fluorobenzyl)-6...)
Affinity DataIC50: 0.848nMT: 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