BDBM221742 6-{[(1r)-1- cyclobutylethyl]amino}- 8-[(3-exo)-3-phenyl- 8- azabicyclo[3.2.1]oct- 8-yl]-7-[4- (trifluoromethyl)benzyl]- 7h-purine-2- carboxylic acid::US9540377, 9.79

SMILES C[C@@H](Nc1nc(C(=O)O)nc2nc(N3[C@@H]4CC[C@H]3C[C@H](c3ccccc3)C4)n(Cc3ccc(C(F)(F)F)cc3)c12)C1CCC1

InChI Key InChIKey=ZOBKTXMTHZHUPD-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 = 221742   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 221742BDBM221742(US9540377, 9.79 | 6-{[(1r)-1- cyclobutylethyl]amin...)
Affinity DataIC50: 7.80nMT: 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