BDBM223754 US9540377, 12.16::n-[(1r)-1- cyclobutylethyl]-7- [(trans-4- methylcyclohexyl)methyl]- 8-[(3r)-3- phenylmorpholin-4-yl]-2- (4h-1,2,4-triazol-3-yl)- 7h-purin-6-amine

SMILES C[C@@H](Nc1nc(-c2nnc[nH]2)nc2nc(N3CCOC[C@H]3c3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)C1CCC1

InChI Key InChIKey=RKGWXBUXXFDHQT-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 = 223754   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 223754BDBM223754(US9540377, 12.16 | n-[(1r)-1- cyclobutylethyl]-7- ...)
Affinity DataIC50: 10.8nMT: 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