BDBM223753 5-(6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4- methylcyclohexyl)methyl]- 8-[(3r)-3- phenylmorpholin-4-yl]- 7h-purin-2-yl)-4-methyl- 2,4-dihydro-3h-1,2,4- triazol-3-one::US9540377, 12.15

SMILES C[C@@H](Nc1nc(-c2n[nH]c(=O)n2C)nc2nc(N3CCOC[C@H]3c3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)C1CCC1

InChI Key InChIKey=NRPYAIXVOJBLTQ-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 = 223753   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 223753BDBM223753(US9540377, 12.15 | 5-(6-{[(1r)-1- cyclobutylethyl]...)
Affinity DataIC50: 14.5nMT: 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