BDBM221465 6-{[(1r)-1-(3,3- difluorocyclobutyl) ethyl]amino}-8-(2- methoxy-5- methylphenyl)-7-[4- (trifluoromethyl)benzyl]- 7h-purine-2- carboxylic acid::US9540377, 7.17

SMILES COc1ccc(C)cc1-c1nc2nc(nc(N[C@H](C)C3CC(F)(F)C3)c2n1Cc1ccc(cc1)C(F)(F)F)C(O)=O

InChI Key InChIKey=OENJDSYCZSCONR-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 = 221465   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 221465BDBM221465(US9540377, 7.17 | 6-{[(1r)-1-(3,3- difluorocyclobu...)
Affinity DataIC50: 58.9nMT: 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