BDBM222698 6-{[(1r)-1- cyclobutylethyl]amino}-8- {[(1s)-1-(3- fluorophenyl)ethyl](propyl) amino}-7-[4- (trifluoromethyl)benzyl]- 7h-purine-2-carboxylic acid::US9540377, 10.26

SMILES CCCN([C@@H](C)c1cccc(F)c1)c1nc2nc(nc(N[C@H](C)C3CCC3)c2n1Cc1ccc(cc1)C(F)(F)F)C(O)=O

InChI Key InChIKey=WOAACYUNMTYRPG-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 = 222698   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 222698BDBM222698(US9540377, 10.26 | 6-{[(1r)-1- cyclobutylethyl]ami...)
Affinity DataIC50: 1.94nMT: 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