BDBM224691 3-(6-{[(1r)-1- cyclobutylethyl]amino}-8- (1-cyclohexylethyl)-7- [(trans-4- methylcyclohexyl)methyl]- 7h-purin-2-yl)-1,2,4- oxadiazol-5(4h)-one (diastereoisomer 1)::US9540377, 21.22::US9540377, 21.23

SMILES CC(c1nc2nc(-c3noc(=O)[nH]3)nc(N[C@H](C)C3CCC3)c2n1C[C@H]1CC[C@H](C)CC1)C1CCCCC1

InChI Key InChIKey=LYJMLTGPWWYMLM-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 224691   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 224691BDBM224691(US9540377, 21.22 | 3-(6-{[(1r)-1- cyclobutylethyl]...)
Affinity DataIC50: 1.82nMT: 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

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

US Patent
LigandChemical structure of BindingDB Monomer ID 224691BDBM224691(US9540377, 21.22 | 3-(6-{[(1r)-1- cyclobutylethyl]...)
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