BDBM223749 US9540377, 12.11::n-[(1r)-1- cyclobutylethyl]-7- [(trans-4- methylcyclohexyl)methyl]- 2-(2-methyl-2h- tetrazol-5-yl)-8-[(3r)-3- phenylmorpholin-4-yl]- 7h-purin-6-amine

SMILES C[C@@H](Nc1nc(-c2nnn(C)n2)nc2nc(N3CCOC[C@H]3c3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)C1CCC1

InChI Key InChIKey=ICSCNDATZFOZRC-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 = 223749   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 223749BDBM223749(US9540377, 12.11 | n-[(1r)-1- cyclobutylethyl]-7- ...)
Affinity DataIC50: 32.5nMT: 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