BDBM221514 6-{[(1r)-1- cyclobutylethyl]amino}- 7-[3-fluoro-4- (trifluoromethyl)benzyl]- 8-[2- phenylpiperidin-1-yl)- 7h-purine-2- carboxylic acid (enantiomer 2)::US9540377, 9.48

SMILES C[C@@H](Nc1nc(nc2nc(N3CCCCC3c3ccccc3)n(Cc3ccc(c(F)c3)C(F)(F)F)c12)C(O)=O)C1CCC1

InChI Key InChIKey=MRPAFWOBMOAUGY-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 = 221514   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 221514BDBM221514(US9540377, 9.48 | 6-{[(1r)-1- cyclobutylethyl]amin...)
Affinity DataIC50: 6.56nMT: 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