BDBM222702 6-{[(1r)-1- cyclobutylethyl]amino}-8- {(cyclopropylmethyl)[(1s)- 1-phenylethyl]amino}-7-[4- (trifluoromethyl)benzyl]- 7h-purine-2-carboxylic acid::US9540377, 10.29

SMILES C[C@@H](Nc1nc(nc2nc(N(CC3CC3)[C@@H](C)c3ccccc3)n(Cc3ccc(cc3)C(F)(F)F)c12)C(O)=O)C1CCC1

InChI Key InChIKey=IOCDCHWUPOWWIT-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 = 222702   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 222702BDBM222702(US9540377, 10.29 | 6-{[(1r)-1- cyclobutylethyl]ami...)
Affinity DataIC50: 35.3nMT: 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